From ada2e8c60683a24b4e0633f5c78ebdfd138d008c Mon Sep 17 00:00:00 2001
From: Dmitri Naumov <dmitri.naumov@ufz.de>
Date: Fri, 7 Jun 2019 15:22:11 +0200
Subject: [PATCH] Use databases from original ThirdParty/iphreeqc/.
Change readme file to reflect the origin. Reformat
to the standard 80 chars per line.
---
Tests/Data/PhreeqcDatabase/Amm.dat | 1821 +-
Tests/Data/PhreeqcDatabase/ColdChem.dat | 268 +-
Tests/Data/PhreeqcDatabase/ReadMe.txt | 93 +-
Tests/Data/PhreeqcDatabase/Tipping_Hurley.dat | 4135 +---
Tests/Data/PhreeqcDatabase/core10.dat | 6825 +-----
Tests/Data/PhreeqcDatabase/frezchem.dat | 635 +-
Tests/Data/PhreeqcDatabase/iso.dat | 7231 +-----
Tests/Data/PhreeqcDatabase/llnl.dat | 19307 +---------------
Tests/Data/PhreeqcDatabase/minteq.dat | 5651 +----
Tests/Data/PhreeqcDatabase/minteq.v4.dat | 13209 +----------
Tests/Data/PhreeqcDatabase/phreeqc.dat | 1832 +-
Tests/Data/PhreeqcDatabase/pitzer.dat | 981 +-
Tests/Data/PhreeqcDatabase/sit.dat | 15344 +-----------
Tests/Data/PhreeqcDatabase/wateq4f.dat | 4027 +---
14 files changed, 77 insertions(+), 81282 deletions(-)
mode change 100644 => 120000 Tests/Data/PhreeqcDatabase/Amm.dat
mode change 100644 => 120000 Tests/Data/PhreeqcDatabase/ColdChem.dat
mode change 100644 => 120000 Tests/Data/PhreeqcDatabase/Tipping_Hurley.dat
mode change 100644 => 120000 Tests/Data/PhreeqcDatabase/core10.dat
mode change 100644 => 120000 Tests/Data/PhreeqcDatabase/frezchem.dat
mode change 100644 => 120000 Tests/Data/PhreeqcDatabase/iso.dat
mode change 100644 => 120000 Tests/Data/PhreeqcDatabase/llnl.dat
mode change 100644 => 120000 Tests/Data/PhreeqcDatabase/minteq.dat
mode change 100644 => 120000 Tests/Data/PhreeqcDatabase/minteq.v4.dat
mode change 100644 => 120000 Tests/Data/PhreeqcDatabase/phreeqc.dat
mode change 100644 => 120000 Tests/Data/PhreeqcDatabase/pitzer.dat
mode change 100644 => 120000 Tests/Data/PhreeqcDatabase/sit.dat
mode change 100644 => 120000 Tests/Data/PhreeqcDatabase/wateq4f.dat
diff --git a/Tests/Data/PhreeqcDatabase/Amm.dat b/Tests/Data/PhreeqcDatabase/Amm.dat
deleted file mode 100644
index 726f2874eaa..00000000000
--- a/Tests/Data/PhreeqcDatabase/Amm.dat
+++ /dev/null
@@ -1,1820 +0,0 @@
-# PHREEQC.DAT for calculating pressure dependence of reactions, with
-# molal volumina of aqueous species and of minerals, and
-# critical temperatures and pressures of gases used in Peng-Robinson's EOS.
-# Details are given at the end of this file.
-
-SOLUTION_MASTER_SPECIES
-#
-#element species alk gfw_formula element_gfw
-#
-H H+ -1.0 H 1.008
-H(0) H2 0 H
-H(1) H+ -1.0 0
-E e- 0 0.0 0
-O H2O 0 O 16.0
-O(0) O2 0 O
-O(-2) H2O 0 0
-Ca Ca+2 0 Ca 40.08
-Mg Mg+2 0 Mg 24.312
-Na Na+ 0 Na 22.9898
-K K+ 0 K 39.102
-Fe Fe+2 0 Fe 55.847
-Fe(+2) Fe+2 0 Fe
-Fe(+3) Fe+3 -2.0 Fe
-Mn Mn+2 0 Mn 54.938
-Mn(+2) Mn+2 0 Mn
-Mn(+3) Mn+3 0 Mn
-Al Al+3 0 Al 26.9815
-Ba Ba+2 0 Ba 137.34
-Sr Sr+2 0 Sr 87.62
-Si H4SiO4 0 SiO2 28.0843
-Cl Cl- 0 Cl 35.453
-C CO3-2 2.0 HCO3 12.0111
-C(+4) CO3-2 2.0 HCO3
-C(-4) CH4 0 CH4
-Alkalinity CO3-2 1.0 Ca0.5(CO3)0.5 50.05
-S SO4-2 0 SO4 32.064
-S(6) SO4-2 0 SO4
-S(-2) HS- 1.0 S
-N NO3- 0 N 14.0067
-N(+5) NO3- 0 NO3
-N(+3) NO2- 0 NO2
-N(0) N2 0 N
-# N(-3) NH4+ NH4 14.0067
-Amm AmmH+ 0 AmmH 17.031
-B H3BO3 0 B 10.81
-P PO4-3 2.0 P 30.9738
-F F- 0 F 18.9984
-Li Li+ 0 Li 6.939
-Br Br- 0 Br 79.904
-Zn Zn+2 0 Zn 65.37
-Cd Cd+2 0 Cd 112.4
-Pb Pb+2 0 Pb 207.19
-Cu Cu+2 0 Cu 63.546
-Cu(+2) Cu+2 0 Cu
-Cu(+1) Cu+1 0 Cu
-# redox-uncoupled gases
-Hdg Hdg 0 Hdg 2.016 # H2 gas
-Oxg Oxg 0 Oxg 32 # O2 gas
-Mtg Mtg 0 Mtg 16.032 # CH4 gas
-Sg H2Sg 1.0 H2Sg 34.08
-Ntg Ntg 0 Ntg 28.0134 # N2 gas
-
-SOLUTION_SPECIES
-H+ = H+
- -gamma 9.0 0
- -dw 9.31e-9 1000 0.46 1e-10 # The dw parameters are defined in ref. 3.
-# Dw(TK) = 9.31e-9 * exp(1000 / TK - 1000 / 298.15) * TK * 0.89 / (298.15 * viscos)
-# Dw(I) = Dw(TK) * exp(-0.46 * DH_A * |z_H+| * I^0.5 / (1 + DH_B * I^0.5 * 1e-10 / (1 + I^0.75)))
-e- = e-
-H2O = H2O
-Ca+2 = Ca+2
- -gamma 5.0 0.1650
- -dw 0.793e-9 97 3.4 24.6
- -Vm -0.3456 -7.252 6.149 -2.479 1.239 5 1.60 -57.1 -6.12e-3 1 # ref. 1
-Mg+2 = Mg+2
- -gamma 5.5 0.20
- -dw 0.705e-9 111 2.4 13.7
- -Vm -1.410 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1 # ref. 1
-Na+ = Na+
- -gamma 4.0 0.075
- -gamma 4.08 0.082 # halite solubility
- -dw 1.33e-9 122 1.52 3.70
- -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.566 # ref. 1
-# for calculating densities (rho) when I > 3...
- # -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.45
-K+ = K+
- -gamma 3.5 0.015
- -dw 1.96e-9 395 2.5 21
- -Vm 3.322 -1.473 6.534 -2.712 9.06e-2 3.5 0 29.7 0 1 # ref. 1
-Fe+2 = Fe+2
- -gamma 6.0 0
- -dw 0.719e-9
- -Vm -0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1 # ref. 1
-Mn+2 = Mn+2
- -gamma 6.0 0
- -dw 0.688e-9
- -Vm -1.10 -8.03 4.08 -2.45 1.4 6 8.07 0 -1.51e-2 0.118 # ref. 2
-Al+3 = Al+3
- -gamma 9.0 0
- -dw 0.559e-9
- -Vm -2.28 -17.1 10.9 -2.07 2.87 9 0 0 5.5e-3 1 # ref. 2 and Barta and Hepler, 1986, Can. J.C. 64, 353.
-Ba+2 = Ba+2
- -gamma 5.0 0
- -gamma 4.0 0.153 # Barite solubility
- -dw 0.848e-9 46
- -Vm 2.063 -10.06 1.9534 -2.36 0.4218 5 1.58 -12.03 -8.35e-3 1 # ref. 1
-Sr+2 = Sr+2
- -gamma 5.260 0.121
- -dw 0.794e-9 161
- -Vm -1.57e-2 -10.15 10.18 -2.36 0.860 5.26 0.859 -27.0 -4.1e-3 1.97 # ref. 1
-H4SiO4 = H4SiO4
- -dw 1.10e-9
- -Vm 10.5 1.7 20 -2.7 0.1291 # supcrt + 2*H2O in a1
-Cl- = Cl-
- -gamma 3.5 0.015
- -gamma 3.63 0.017 # cf. pitzer.dat
- -dw 2.03e-9 194 1.6 6.9
- -Vm 4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1 # ref. 1
-CO3-2 = CO3-2
- -gamma 5.4 0
- -dw 0.955e-9 0 1.12 2.84
- -Vm 5.95 0 0 -5.67 6.85 0 1.37 106 -0.0343 1 # ref. 1
-SO4-2 = SO4-2
- -gamma 5.0 -0.04
- -dw 1.07e-9 34 2.08 13.4
- -Vm 8.0 2.3 -46.04 6.245 3.82 0 0 0 0 1 # ref. 1
-NO3- = NO3-
- -gamma 3.0 0
- -dw 1.9e-9 184 1.85 3.85
- -Vm 6.32 6.78 0 -3.06 0.346 0 0.93 0 -0.012 1 # ref. 1
-AmmH+ = AmmH+
- -gamma 2.5 0
- -dw 1.98e-9 312 0.95 4.53
- -Vm 4.837 2.345 5.522 -2.88 1.096 3 -1.456 75.0 7.17e-3 1 # ref. 1
-H3BO3 = H3BO3
- -dw 1.1e-9
- -Vm 7.0643 8.8547 3.5844 -3.1451 -.2000 # supcrt
-PO4-3 = PO4-3
- -gamma 4.0 0
- -dw 0.612e-9
- -Vm 1.24 -9.07 9.31 -2.4 5.61 0 0 0 -1.41e-2 1 # ref. 2
-F- = F-
- -gamma 3.5 0
- -dw 1.46e-9
- -Vm 0.928 1.36 6.27 -2.84 1.84 0 0 -0.318 0 1 # ref. 2
-Li+ = Li+
- -gamma 6.0 0
- -dw 1.03e-9 80
- -Vm -0.419 -0.069 13.16 -2.78 0.416 0 0.296 -12.4 -2.74e-3 1.26 # ref. 2 and Ellis, 1968, J. Chem. Soc. A, 1138
-Br- = Br-
- -gamma 3.0 0
- -dw 2.01e-9 258
- -Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1 # ref. 2
-Zn+2 = Zn+2
- -gamma 5.0 0
- -dw 0.715e-9
- -Vm -1.96 -10.4 14.3 -2.35 1.46 5 -1.43 24 1.67e-2 1.11 # ref. 2
-Cd+2 = Cd+2
- -dw 0.717e-9
- -Vm 1.63 -10.7 1.01 -2.34 1.47 5 0 0 0 1 # ref. 2
-Pb+2 = Pb+2
- -dw 0.945e-9
- -Vm -.0051 -7.7939 8.8134 -2.4568 1.0788 4.5 # supcrt
-Cu+2 = Cu+2
- -gamma 6.0 0
- -dw 0.733e-9
- -Vm -1.13 -10.5 7.29 -2.35 1.61 6 9.78e-2 0 3.42e-3 1 # ref. 2
-# redox-uncoupled gases
-Hdg = Hdg # H2
- -dw 5.13e-9
- -Vm 6.52 0.78 0.12 # supcrt
-Oxg = Oxg # O2
- -dw 2.35e-9
- -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt
-Mtg = Mtg # CH4
- -dw 1.85e-9
- -Vm 9.01 -1.11 0 -1.85 -1.50 # ref. 1 + Hnedkovsky et al., 1996, JCT 28, 125
-Ntg = Ntg # N2
- -dw 1.96e-9
- -Vm 7 # Pray et al., 1952, IEC 44. 1146
-H2Sg = H2Sg # H2S
- -dw 2.1e-9
- -Vm 7.81 2.96 -0.46 # supcrt
-# aqueous species
-H2O = OH- + H+
- -analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5
- -gamma 3.5 0
- -dw 5.27e-9 548 0.52 1e-10
- -Vm -9.66 28.5 80.0 -22.9 1.89 0 1.09 0 0 1 # ref. 1
-2 H2O = O2 + 4 H+ + 4 e-
- -log_k -86.08
- -delta_h 134.79 kcal
- -dw 2.35e-9
- -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt
-2 H+ + 2 e- = H2
- -log_k -3.15
- -delta_h -1.759 kcal
- -dw 5.13e-9
- -Vm 6.52 0.78 0.12 # supcrt
-CO3-2 + H+ = HCO3-
- -log_k 10.329
- -delta_h -3.561 kcal
- -analytic 107.8871 0.03252849 -5151.79 -38.92561 563713.9
- -gamma 5.4 0
- -dw 1.18e-9 0 1.43 1e-10
- -Vm 8.472 0 -11.5 0 1.56 0 0 146 3.16e-3 1 # ref. 1
-CO3-2 + 2 H+ = CO2 + H2O
- -log_k 16.681
- -delta_h -5.738 kcal
- -analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9
- -dw 1.92e-9
- -Vm 7.29 0.92 2.07 -1.23 -1.60 # ref. 1 + McBride et al. 2015, JCED 60, 171
-2CO2 = (CO2)2 # activity correction for CO2 solubility at high P, T
- -log_k -1.8
- -analytical_expression 8.68 -0.0103 -2190
- -Vm 14.58 1.84 4.14 -2.46 -3.20
-CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O
- -log_k 41.071
- -delta_h -61.039 kcal
- -dw 1.85e-9
- -Vm 9.01 -1.11 0 -1.85 -1.50 # ref. 1 + Hnedkovsky et al., 1996, JCT 28, 125
-SO4-2 + H+ = HSO4-
- -log_k 1.988
- -delta_h 3.85 kcal
- -analytic -56.889 0.006473 2307.9 19.8858
- -dw 1.33e-9
- -Vm 8.2 9.2590 2.1108 -3.1618 1.1748 0 -0.3 15 0 1 # ref. 1
-HS- = S-2 + H+
- -log_k -12.918
- -delta_h 12.1 kcal
- -gamma 5.0 0
- -dw 0.731e-9
-SO4-2 + 9 H+ + 8 e- = HS- + 4 H2O
- -log_k 33.65
- -delta_h -60.140 kcal
- -gamma 3.5 0
- -dw 1.73e-9
- -Vm 5.0119 4.9799 3.4765 -2.9849 1.4410 # supcrt
-HS- + H+ = H2S
- -log_k 6.994
- -delta_h -5.30 kcal
- -analytical -11.17 0.02386 3279.0
- -dw 2.1e-9
- -Vm 7.81 2.96 -0.46 # supcrt
-H2Sg = HSg- + H+
- -log_k -6.994
- -delta_h 5.30 kcal
- -analytical 11.17 -0.02386 -3279.0
- -dw 1.73e-9
- -Vm 5.0119 4.9799 3.4765 -2.9849 1.4410 # supcrt
-NO3- + 2 H+ + 2 e- = NO2- + H2O
- -log_k 28.570
- -delta_h -43.760 kcal
- -gamma 3.0 0
- -dw 1.91e-9
- -Vm 5.5864 5.8590 3.4472 -3.0212 1.1847 # supcrt
-2 NO3- + 12 H+ + 10 e- = N2 + 6 H2O
- -log_k 207.08
- -delta_h -312.130 kcal
- -dw 1.96e-9
- -Vm 7 # Pray et al., 1952, IEC 44. 1146
-AmmH+ = Amm + H+
- -log_k -9.252
- -delta_h 12.48 kcal
- -analytic 0.6322 -0.001225 -2835.76
- -dw 2.28e-9
- -Vm 6.69 2.8 3.58 -2.88 1.43 # ref. 2
-#NO3- + 10 H+ + 8 e- = AmmH+ + 3 H2O
-# -log_k 119.077
-# -delta_h -187.055 kcal
-# -gamma 2.5 0
-# -Vm 4.837 2.345 5.522 -2.88 1.096 3 -1.456 75.0 7.17e-3 1 # ref. 1
-
-AmmH+ + SO4-2 = AmmHSO4-
- -log_k 1.11
- -Vm 14.0 0 -35.2 0 0 0 12.3 0 -0.141 1 # ref. 2
-H3BO3 = H2BO3- + H+
- -log_k -9.24
- -delta_h 3.224 kcal
-H3BO3 + F- = BF(OH)3-
- -log_k -0.4
- -delta_h 1.850 kcal
-H3BO3 + 2 F- + H+ = BF2(OH)2- + H2O
- -log_k 7.63
- -delta_h 1.618 kcal
-H3BO3 + 2 H+ + 3 F- = BF3OH- + 2 H2O
- -log_k 13.67
- -delta_h -1.614 kcal
-H3BO3 + 3 H+ + 4 F- = BF4- + 3 H2O
- -log_k 20.28
- -delta_h -1.846 kcal
-PO4-3 + H+ = HPO4-2
- -log_k 12.346
- -delta_h -3.530 kcal
- -gamma 5.0 0
- -dw 0.69e-9
- -Vm 3.52 1.09 8.39 -2.82 3.34 0 0 0 0 1 # ref. 2
-PO4-3 + 2 H+ = H2PO4-
- -log_k 19.553
- -delta_h -4.520 kcal
- -gamma 5.4 0
- -dw 0.846e-9
- -Vm 5.58 8.06 12.2 -3.11 1.3 0 0 0 1.62e-2 1 # ref. 2
-PO4-3 + 3H+ = H3PO4
- log_k 21.721 # log_k and delta_h from minteq.v4.dat, NIST46.3
- delta_h -10.1 kJ
- -Vm 7.47 12.4 6.29 -3.29 0 # ref. 2
-H+ + F- = HF
- -log_k 3.18
- -delta_h 3.18 kcal
- -analytic -2.033 0.012645 429.01
- -Vm 3.4753 .7042 5.4732 -2.8081 -.0007 # supcrt
-H+ + 2 F- = HF2-
- -log_k 3.76
- -delta_h 4.550 kcal
- -Vm 5.2263 4.9797 3.7928 -2.9849 1.2934 # supcrt
-Ca+2 + H2O = CaOH+ + H+
- -log_k -12.78
-Ca+2 + CO3-2 = CaCO3
- -log_k 3.224
- -delta_h 3.545 kcal
- -analytic -1228.732 -0.299440 35512.75 485.818
- -dw 4.46e-10 # complexes: calc'd with the Pikal formula
- -Vm -.2430 -8.3748 9.0417 -2.4328 -.0300 # supcrt
-Ca+2 + CO3-2 + H+ = CaHCO3+
- -log_k 11.435
- -delta_h -0.871 kcal
- -analytic 1317.0071 0.34546894 -39916.84 -517.70761 563713.9
- -gamma 6.0 0
- -dw 5.06e-10
- -Vm 3.1911 .0104 5.7459 -2.7794 .3084 5.4 # supcrt
-Ca+2 + SO4-2 = CaSO4
- -log_k 2.25
- -delta_h 1.325 kcal
- -dw 4.71e-10
- -Vm 2.7910 -.9666 6.1300 -2.7390 -.0010 # supcrt
-Ca+2 + HSO4- = CaHSO4+
- -log_k 1.08
-Ca+2 + PO4-3 = CaPO4-
- -log_k 6.459
- -delta_h 3.10 kcal
- -gamma 5.4 0.0
-Ca+2 + HPO4-2 = CaHPO4
- -log_k 2.739
- -delta_h 3.3 kcal
-Ca+2 + H2PO4- = CaH2PO4+
- -log_k 1.408
- -delta_h 3.4 kcal
- -gamma 5.4 0.0
-# Ca+2 + F- = CaF+
- # -log_k 0.94
- # -delta_h 4.120 kcal
- # -gamma 5.5 0.0
- # -Vm .9846 -5.3773 7.8635 -2.5567 .6911 5.5 # supcrt
-Mg+2 + H2O = MgOH+ + H+
- -log_k -11.44
- -delta_h 15.952 kcal
- -gamma 6.5 0
-Mg+2 + CO3-2 = MgCO3
- -log_k 2.98
- -delta_h 2.713 kcal
- -analytic 0.9910 0.00667
- -dw 4.21e-10
- -Vm -.5837 -9.2067 9.3687 -2.3984 -.0300 # supcrt
-Mg+2 + H+ + CO3-2 = MgHCO3+
- -log_k 11.399
- -delta_h -2.771 kcal
- -analytic 48.6721 0.03252849 -2614.335 -18.00263 563713.9
- -gamma 4.0 0
- -dw 4.78e-10
- -Vm 2.7171 -1.1469 6.2008 -2.7316 .5985 4 # supcrt
-Mg+2 + SO4-2 = MgSO4
- -log_k 2.37
- -delta_h 4.550 kcal
- -dw 4.45e-10
- -Vm 2.4 -0.97 6.1 -2.74 # est'd
-Mg+2 + PO4-3 = MgPO4-
- -log_k 6.589
- -delta_h 3.10 kcal
- -gamma 5.4 0
-Mg+2 + HPO4-2 = MgHPO4
- -log_k 2.87
- -delta_h 3.3 kcal
-Mg+2 + H2PO4- = MgH2PO4+
- -log_k 1.513
- -delta_h 3.4 kcal
- -gamma 5.4 0
-Mg+2 + F- = MgF+
- -log_k 1.82
- -delta_h 3.20 kcal
- -gamma 4.5 0
- -Vm .6494 -6.1958 8.1852 -2.5229 .9706 4.5 # supcrt
-Na+ + OH- = NaOH
- -log_k -10 # remove this complex
-Na+ + CO3-2 = NaCO3-
- -log_k 1.27
- -delta_h 8.91 kcal
- -dw 1.2e-9 0 1e-10 1e-10
- -Vm 3.89 -8.23e-4 20 -9.44 3.02 9.05e-3 3.07 0 0.0233 1 # ref. 1
-Na+ + HCO3- = NaHCO3
- -log_k -0.25
- -delta_h -1 kcal
- -dw 6.73e-10
- -Vm 0.431 # ref. 1
-Na+ + SO4-2 = NaSO4-
- -log_k 0.7
- -delta_h 1.120 kcal
- -gamma 5.4 0
- -dw 1.33e-9 0 0.57 1e-10
- -Vm 1e-5 16.4 -0.0678 -1.05 4.14 0 6.86 0 0.0242 0.53 # ref. 1
-Na+ + HPO4-2 = NaHPO4-
- -log_k 0.29
- -gamma 5.4 0
- -Vm 5.2 8.1 13 -3 0.9 0 0 1.62e-2 1 # ref. 2
-Na+ + F- = NaF
- -log_k -0.24
- -Vm 2.7483 -1.0708 6.1709 -2.7347 -.030 # supcrt
-K+ + SO4-2 = KSO4-
- -log_k 0.85
- -delta_h 2.250 kcal
- -analytical 3.106 0.0 -673.6
- -gamma 5.4 0
- -dw 1.5e-9 0 1e-10 1e10
- -Vm 6.8 7.06 3.0 -2.07 1.1 0 0 0 0 1 # ref. 1
-K+ + HPO4-2 = KHPO4-
- -log_k 0.29
- -gamma 5.4 0
- -Vm 5.4 8.1 19 -3.1 0.7 0 0 0 1.62e-2 1 # ref. 2
-Fe+2 + H2O = FeOH+ + H+
- -log_k -9.5
- -delta_h 13.20 kcal
- -gamma 5.0 0
-Fe+2 + 3H2O = Fe(OH)3- + 3H+
- -log_k -31.0
- -delta_h 30.3 kcal
- -gamma 5.0 0
-Fe+2 + Cl- = FeCl+
- -log_k 0.14
-Fe+2 + CO3-2 = FeCO3
- -log_k 4.38
-Fe+2 + HCO3- = FeHCO3+
- -log_k 2.0
-Fe+2 + SO4-2 = FeSO4
- -log_k 2.25
- -delta_h 3.230 kcal
- -Vm -13 0 123 # ref. 2
-Fe+2 + HSO4- = FeHSO4+
- -log_k 1.08
-Fe+2 + 2HS- = Fe(HS)2
- -log_k 8.95
-Fe+2 + 3HS- = Fe(HS)3-
- -log_k 10.987
-Fe+2 + HPO4-2 = FeHPO4
- -log_k 3.6
-Fe+2 + H2PO4- = FeH2PO4+
- -log_k 2.7
- -gamma 5.4 0
-Fe+2 + F- = FeF+
- -log_k 1.0
-Fe+2 = Fe+3 + e-
- -log_k -13.02
- -delta_h 9.680 kcal
- -gamma 9.0 0
-Fe+3 + H2O = FeOH+2 + H+
- -log_k -2.19
- -delta_h 10.4 kcal
- -gamma 5.0 0
-Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+
- -log_k -5.67
- -delta_h 17.1 kcal
- -gamma 5.4 0
-Fe+3 + 3 H2O = Fe(OH)3 + 3 H+
- -log_k -12.56
- -delta_h 24.8 kcal
-Fe+3 + 4 H2O = Fe(OH)4- + 4 H+
- -log_k -21.6
- -delta_h 31.9 kcal
- -gamma 5.4 0
-Fe+2 + 2H2O = Fe(OH)2 + 2H+
- -log_k -20.57
- -delta_h 28.565 kcal
-2 Fe+3 + 2 H2O = Fe2(OH)2+4 + 2 H+
- -log_k -2.95
- -delta_h 13.5 kcal
-3 Fe+3 + 4 H2O = Fe3(OH)4+5 + 4 H+
- -log_k -6.3
- -delta_h 14.3 kcal
-Fe+3 + Cl- = FeCl+2
- -log_k 1.48
- -delta_h 5.6 kcal
- -gamma 5.0 0
-Fe+3 + 2 Cl- = FeCl2+
- -log_k 2.13
- -gamma 5.0 0
-Fe+3 + 3 Cl- = FeCl3
- -log_k 1.13
-Fe+3 + SO4-2 = FeSO4+
- -log_k 4.04
- -delta_h 3.91 kcal
- -gamma 5.0 0
-Fe+3 + HSO4- = FeHSO4+2
- -log_k 2.48
-Fe+3 + 2 SO4-2 = Fe(SO4)2-
- -log_k 5.38
- -delta_h 4.60 kcal
-Fe+3 + HPO4-2 = FeHPO4+
- -log_k 5.43
- -delta_h 5.76 kcal
- -gamma 5.0 0
-Fe+3 + H2PO4- = FeH2PO4+2
- -log_k 5.43
- -gamma 5.4 0
-Fe+3 + F- = FeF+2
- -log_k 6.2
- -delta_h 2.7 kcal
- -gamma 5.0 0
-Fe+3 + 2 F- = FeF2+
- -log_k 10.8
- -delta_h 4.8 kcal
- -gamma 5.0 0
-Fe+3 + 3 F- = FeF3
- -log_k 14.0
- -delta_h 5.4 kcal
-Mn+2 + H2O = MnOH+ + H+
- -log_k -10.59
- -delta_h 14.40 kcal
- -gamma 5.0 0
-Mn+2 + 3H2O = Mn(OH)3- + 3H+
- -log_k -34.8
- -gamma 5.0 0
-Mn+2 + Cl- = MnCl+
- -log_k 0.61
- -gamma 5.0 0
- -Vm 7.25 -1.08 -25.8 -2.73 3.99 5 0 0 0 1 # ref. 2
-Mn+2 + 2 Cl- = MnCl2
- -log_k 0.25
- -Vm 1e-5 0 144 # ref. 2
-Mn+2 + 3 Cl- = MnCl3-
- -log_k -0.31
- -gamma 5.0 0
- -Vm 11.8 0 0 0 2.4 0 0 0 3.6e-2 1 # ref. 2
-Mn+2 + CO3-2 = MnCO3
- -log_k 4.9
-Mn+2 + HCO3- = MnHCO3+
- -log_k 1.95
- -gamma 5.0 0
-Mn+2 + SO4-2 = MnSO4
- -log_k 2.25
- -delta_h 3.370 kcal
- -Vm -1.31 -1.83 62.3 -2.7 # ref. 2
-Mn+2 + 2 NO3- = Mn(NO3)2
- -log_k 0.6
- -delta_h -0.396 kcal
- -Vm 6.16 0 29.4 0 0.9 # ref. 2
-Mn+2 + F- = MnF+
- -log_k 0.84
- -gamma 5.0 0
-Mn+2 = Mn+3 + e-
- -log_k -25.51
- -delta_h 25.80 kcal
- -gamma 9.0 0
-Al+3 + H2O = AlOH+2 + H+
- -log_k -5.0
- -delta_h 11.49 kcal
- -analytic -38.253 0.0 -656.27 14.327
- -gamma 5.4 0
- -Vm -1.46 -11.4 10.2 -2.31 1.67 5.4 0 0 0 1 # ref. 2 and Barta and Hepler, 1986, Can. J. Chem. 64, 353.
-Al+3 + 2 H2O = Al(OH)2+ + 2 H+
- -log_k -10.1
- -delta_h 26.90 kcal
- -gamma 5.4 0
- -analytic 88.50 0.0 -9391.6 -27.121
-Al+3 + 3 H2O = Al(OH)3 + 3 H+
- -log_k -16.9
- -delta_h 39.89 kcal
- -analytic 226.374 0.0 -18247.8 -73.597
-Al+3 + 4 H2O = Al(OH)4- + 4 H+
- -log_k -22.7
- -delta_h 42.30 kcal
- -analytic 51.578 0.0 -11168.9 -14.865
- -gamma 4.5 0
-Al+3 + SO4-2 = AlSO4+
- -log_k 3.5
- -delta_h 2.29 kcal
- -gamma 4.5 0
-Al+3 + 2SO4-2 = Al(SO4)2-
- -log_k 5.0
- -delta_h 3.11 kcal
- -gamma 4.5 0
-Al+3 + HSO4- = AlHSO4+2
- -log_k 0.46
-Al+3 + F- = AlF+2
- -log_k 7.0
- -delta_h 1.060 kcal
- -gamma 5.4 0
-Al+3 + 2 F- = AlF2+
- -log_k 12.7
- -delta_h 1.980 kcal
- -gamma 5.4 0
-Al+3 + 3 F- = AlF3
- -log_k 16.8
- -delta_h 2.160 kcal
-Al+3 + 4 F- = AlF4-
- -log_k 19.4
- -delta_h 2.20 kcal
- -gamma 4.5 0
-# Al+3 + 5 F- = AlF5-2
- # log_k 20.6
- # delta_h 1.840 kcal
-# Al+3 + 6 F- = AlF6-3
- # log_k 20.6
- # delta_h -1.670 kcal
-H4SiO4 = H3SiO4- + H+
- -log_k -9.83
- -delta_h 6.12 kcal
- -analytic -302.3724 -0.050698 15669.69 108.18466 -1119669.0
- -gamma 4 0
- -Vm 7.94 1.0881 5.3224 -2.8240 1.4767 # supcrt + H2O in a1
-H4SiO4 = H2SiO4-2 + 2 H+
- -log_k -23.0
- -delta_h 17.6 kcal
- -analytic -294.0184 -0.072650 11204.49 108.18466 -1119669.0
- -gamma 5.4 0
-H4SiO4 + 4 H+ + 6 F- = SiF6-2 + 4 H2O
- -log_k 30.18
- -delta_h -16.260 kcal
- -gamma 5.0 0
- -Vm 8.5311 13.0492 .6211 -3.3185 2.7716 # supcrt
-Ba+2 + H2O = BaOH+ + H+
- -log_k -13.47
- -gamma 5.0 0
-Ba+2 + CO3-2 = BaCO3
- -log_k 2.71
- -delta_h 3.55 kcal
- -analytic 0.113 0.008721
- -Vm .2907 -7.0717 8.5295 -2.4867 -.0300 # supcrt
-Ba+2 + HCO3- = BaHCO3+
- -log_k 0.982
- -delta_h 5.56 kcal
- -analytic -3.0938 0.013669
-Ba+2 + SO4-2 = BaSO4
- -log_k 2.7
-Sr+2 + H2O = SrOH+ + H+
- -log_k -13.29
- -gamma 5.0 0
-Sr+2 + CO3-2 + H+ = SrHCO3+
- -log_k 11.509
- -delta_h 2.489 kcal
- -analytic 104.6391 0.04739549 -5151.79 -38.92561 563713.9
- -gamma 5.4 0
-Sr+2 + CO3-2 = SrCO3
- -log_k 2.81
- -delta_h 5.22 kcal
- -analytic -1.019 0.012826
- -Vm -.1787 -8.2177 8.9799 -2.4393 -.0300 # supcrt
-Sr+2 + SO4-2 = SrSO4
- -log_k 2.29
- -delta_h 2.08 kcal
- -Vm 6.7910 -.9666 6.1300 -2.7390 -.0010 # celestite solubility
-Li+ + SO4-2 = LiSO4-
- -log_k 0.64
- -gamma 5.0 0
-Cu+2 + e- = Cu+
- -log_k 2.72
- -delta_h 1.65 kcal
- -gamma 2.5 0
-Cu+ + 2Cl- = CuCl2-
- -log_k 5.50
- -delta_h -0.42 kcal
- -gamma 4.0 0
-Cu+ + 3Cl- = CuCl3-2
- -log_k 5.70
- -delta_h 0.26 kcal
- -gamma 5.0 0.0
-Cu+2 + CO3-2 = CuCO3
- -log_k 6.73
-Cu+2 + 2CO3-2 = Cu(CO3)2-2
- -log_k 9.83
-Cu+2 + HCO3- = CuHCO3+
- -log_k 2.7
-Cu+2 + Cl- = CuCl+
- -log_k 0.43
- -delta_h 8.65 kcal
- -gamma 4.0 0
- -Vm -4.19 0 30.4 0 0 4 0 0 1.94e-2 1 # ref. 2
-Cu+2 + 2Cl- = CuCl2
- -log_k 0.16
- -delta_h 10.56 kcal
- -Vm 26.8 0 -136 # ref. 2
-Cu+2 + 3Cl- = CuCl3-
- -log_k -2.29
- -delta_h 13.69 kcal
- -gamma 4.0 0
-Cu+2 + 4Cl- = CuCl4-2
- -log_k -4.59
- -delta_h 17.78 kcal
- -gamma 5.0 0
-Cu+2 + F- = CuF+
- -log_k 1.26
- -delta_h 1.62 kcal
-Cu+2 + H2O = CuOH+ + H+
- -log_k -8.0
- -gamma 4.0 0
-Cu+2 + 2 H2O = Cu(OH)2 + 2 H+
- -log_k -13.68
-Cu+2 + 3 H2O = Cu(OH)3- + 3 H+
- -log_k -26.9
-Cu+2 + 4 H2O = Cu(OH)4-2 + 4 H+
- -log_k -39.6
-2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+
- -log_k -10.359
- -delta_h 17.539 kcal
- -analytical 2.497 0.0 -3833.0
-Cu+2 + SO4-2 = CuSO4
- -log_k 2.31
- -delta_h 1.220 kcal
- -Vm 5.21 0 -14.6 # ref. 2
-Cu+2 + 3HS- = Cu(HS)3-
- -log_k 25.9
-Zn+2 + H2O = ZnOH+ + H+
- -log_k -8.96
- -delta_h 13.4 kcal
-Zn+2 + 2 H2O = Zn(OH)2 + 2 H+
- -log_k -16.9
-Zn+2 + 3 H2O = Zn(OH)3- + 3 H+
- -log_k -28.4
-Zn+2 + 4 H2O = Zn(OH)4-2 + 4 H+
- -log_k -41.2
-Zn+2 + Cl- = ZnCl+
- -log_k 0.43
- -delta_h 7.79 kcal
- -gamma 4.0 0
- -Vm 14.8 -3.91 -105.7 -2.62 0.203 4 0 0 -5.05e-2 1 # ref. 2
-Zn+2 + 2 Cl- = ZnCl2
- -log_k 0.45
- -delta_h 8.5 kcal
- -Vm -10.1 4.57 241 -2.97 -1e-3 # ref. 2
-Zn+2 + 3Cl- = ZnCl3-
- -log_k 0.5
- -delta_h 9.56 kcal
- -gamma 4.0 0
- -Vm 0.772 15.5 -0.349 -3.42 1.25 0 -7.77 0 0 1 # ref. 2
-Zn+2 + 4Cl- = ZnCl4-2
- -log_k 0.2
- -delta_h 10.96 kcal
- -gamma 5.0 0
- -Vm 28.42 28 -5.26 -3.94 2.67 0 0 0 4.62e-2 1 # ref. 2
-Zn+2 + H2O + Cl- = ZnOHCl + H+
- -log_k -7.48
-Zn+2 + 2HS- = Zn(HS)2
- -log_k 14.94
-Zn+2 + 3HS- = Zn(HS)3-
- -log_k 16.1
-Zn+2 + CO3-2 = ZnCO3
- -log_k 5.3
-Zn+2 + 2CO3-2 = Zn(CO3)2-2
- -log_k 9.63
-Zn+2 + HCO3- = ZnHCO3+
- -log_k 2.1
-Zn+2 + SO4-2 = ZnSO4
- -log_k 2.37
- -delta_h 1.36 kcal
- -Vm 2.51 0 18.8 # ref. 2
-Zn+2 + 2SO4-2 = Zn(SO4)2-2
- -log_k 3.28
- -Vm 10.9 0 -98.7 0 0 0 24 0 -0.236 1 # ref. 2
-Zn+2 + Br- = ZnBr+
- -log_k -0.58
-Zn+2 + 2Br- = ZnBr2
- -log_k -0.98
-Zn+2 + F- = ZnF+
- -log_k 1.15
- -delta_h 2.22 kcal
-Cd+2 + H2O = CdOH+ + H+
- -log_k -10.08
- -delta_h 13.1 kcal
-Cd+2 + 2 H2O = Cd(OH)2 + 2 H+
- -log_k -20.35
-Cd+2 + 3 H2O = Cd(OH)3- + 3 H+
- -log_k -33.3
-Cd+2 + 4 H2O = Cd(OH)4-2 + 4 H+
- -log_k -47.35
-2Cd+2 + H2O = Cd2OH+3 + H+
- -log_k -9.39
- -delta_h 10.9 kcal
-Cd+2 + H2O + Cl- = CdOHCl + H+
- -log_k -7.404
- -delta_h 4.355 kcal
-Cd+2 + NO3- = CdNO3+
- -log_k 0.4
- -delta_h -5.2 kcal
- -Vm 5.95 0 -1.11 0 2.67 7 0 0 1.53e-2 1 # ref. 2
-Cd+2 + Cl- = CdCl+
- -log_k 1.98
- -delta_h 0.59 kcal
- -Vm 5.69 0 -30.2 0 0 6 0 0 0.112 1 # ref. 2
-Cd+2 + 2 Cl- = CdCl2
- -log_k 2.6
- -delta_h 1.24 kcal
- -Vm 5.53 # ref. 2
-Cd+2 + 3 Cl- = CdCl3-
- -log_k 2.4
- -delta_h 3.9 kcal
- -Vm 4.6 0 83.9 0 0 0 0 0 0 1 # ref. 2
-Cd+2 + CO3-2 = CdCO3
- -log_k 2.9
-Cd+2 + 2CO3-2 = Cd(CO3)2-2
- -log_k 6.4
-Cd+2 + HCO3- = CdHCO3+
- -log_k 1.5
-Cd+2 + SO4-2 = CdSO4
- -log_k 2.46
- -delta_h 1.08 kcal
- -Vm 10.4 0 57.9 # ref. 2
-Cd+2 + 2SO4-2 = Cd(SO4)2-2
- -log_k 3.5
- -Vm -6.29 0 -93 0 9.5 7 0 0 0 1 # ref. 2
-Cd+2 + Br- = CdBr+
- -log_k 2.17
- -delta_h -0.81 kcal
-Cd+2 + 2Br- = CdBr2
- -log_k 2.9
-Cd+2 + F- = CdF+
- -log_k 1.1
-Cd+2 + 2F- = CdF2
- -log_k 1.5
-Cd+2 + HS- = CdHS+
- -log_k 10.17
-Cd+2 + 2HS- = Cd(HS)2
- -log_k 16.53
-Cd+2 + 3HS- = Cd(HS)3-
- -log_k 18.71
-Cd+2 + 4HS- = Cd(HS)4-2
- -log_k 20.9
-Pb+2 + H2O = PbOH+ + H+
- -log_k -7.71
-Pb+2 + 2 H2O = Pb(OH)2 + 2 H+
- -log_k -17.12
-Pb+2 + 3 H2O = Pb(OH)3- + 3 H+
- -log_k -28.06
-Pb+2 + 4 H2O = Pb(OH)4-2 + 4 H+
- -log_k -39.7
-2 Pb+2 + H2O = Pb2OH+3 + H+
- -log_k -6.36
-Pb+2 + Cl- = PbCl+
- -log_k 1.6
- -delta_h 4.38 kcal
- -Vm 2.8934 -.7165 6.0316 -2.7494 .1281 6 # supcrt
-Pb+2 + 2 Cl- = PbCl2
- -log_k 1.8
- -delta_h 1.08 kcal
- -Vm 6.5402 8.1879 2.5318 -3.1175 -.0300 # supcrt
-Pb+2 + 3 Cl- = PbCl3-
- -log_k 1.7
- -delta_h 2.17 kcal
- -Vm 11.0396 19.1743 -1.7863 -3.5717 .7356 # supcrt
-Pb+2 + 4 Cl- = PbCl4-2
- -log_k 1.38
- -delta_h 3.53 kcal
- -Vm 16.4150 32.2997 -6.9452 -4.1143 2.3118 # supcrt
-Pb+2 + CO3-2 = PbCO3
- -log_k 7.24
-Pb+2 + 2 CO3-2 = Pb(CO3)2-2
- -log_k 10.64
-Pb+2 + HCO3- = PbHCO3+
- -log_k 2.9
-Pb+2 + SO4-2 = PbSO4
- -log_k 2.75
-Pb+2 + 2 SO4-2 = Pb(SO4)2-2
- -log_k 3.47
-Pb+2 + 2HS- = Pb(HS)2
- -log_k 15.27
-Pb+2 + 3HS- = Pb(HS)3-
- -log_k 16.57
-3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+
- -log_k -23.88
- -delta_h 26.5 kcal
-Pb+2 + NO3- = PbNO3+
- -log_k 1.17
-Pb+2 + Br- = PbBr+
- -log_k 1.77
- -delta_h 2.88 kcal
-Pb+2 + 2Br- = PbBr2
- -log_k 1.44
-Pb+2 + F- = PbF+
- -log_k 1.25
-Pb+2 + 2F- = PbF2
- -log_k 2.56
-Pb+2 + 3F- = PbF3-
- -log_k 3.42
-Pb+2 + 4F- = PbF4-2
- -log_k 3.1
-
-PHASES
-Calcite
- CaCO3 = CO3-2 + Ca+2
- -log_k -8.48
- -delta_h -2.297 kcal
- -analytic -171.9065 -0.077993 2839.319 71.595
- -Vm 36.9 cm3/mol # MW (100.09 g/mol) / rho (2.71 g/cm3)
-Aragonite
- CaCO3 = CO3-2 + Ca+2
- -log_k -8.336
- -delta_h -2.589 kcal
- -analytic -171.9773 -0.077993 2903.293 71.595
- -Vm 34.04
-Dolomite
- CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2
- -log_k -17.09
- -delta_h -9.436 kcal
- -Vm 64.5
-Siderite
- FeCO3 = Fe+2 + CO3-2
- -log_k -10.89
- -delta_h -2.480 kcal
- -Vm 29.2
-Rhodochrosite
- MnCO3 = Mn+2 + CO3-2
- -log_k -11.13
- -delta_h -1.430 kcal
- -Vm 31.1
-Strontianite
- SrCO3 = Sr+2 + CO3-2
- -log_k -9.271
- -delta_h -0.400 kcal
- -analytic 155.0305 0.0 -7239.594 -56.58638
- -Vm 39.69
-Witherite
- BaCO3 = Ba+2 + CO3-2
- -log_k -8.562
- -delta_h 0.703 kcal
- -analytic 607.642 0.121098 -20011.25 -236.4948
- -Vm 46
-Gypsum
- CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O
- -log_k -4.58
- -delta_h -0.109 kcal
- -analytic 68.2401 0.0 -3221.51 -25.0627
- -analytical_expression 93.7 5.99E-03 -4e3 -35.019 # better fits the appendix data of Appelo, 2015, AG 55, 62
- -Vm 73.9 # 172.18 / 2.33 (Vm H2O = 13.9 cm3/mol)
-Anhydrite
- CaSO4 = Ca+2 + SO4-2
- -log_k -4.36
- -delta_h -1.710 kcal
- -analytic 84.90 0 -3135.12 -31.79 # 50 - 160oC, 1 - 1e3 atm, anhydrite dissolution, Blount and Dickson, 1973, Am. Mineral. 58, 323.
- -Vm 46.1 # 136.14 / 2.95
-Celestite
- SrSO4 = Sr+2 + SO4-2
- -log_k -6.63
- -delta_h -4.037 kcal
-# -analytic -14805.9622 -2.4660924 756968.533 5436.3588 -40553604.0
- -analytic -7.14 6.11e-3 75 0 0 -1.79e-5 # Howell et al., 1992, JCED 37, 464.
- -Vm 46.4
-Barite
- BaSO4 = Ba+2 + SO4-2
- -log_k -9.97
- -delta_h 6.35 kcal
- -analytical_expression -282.43 -8.972e-2 5822 113.08 # Blount 1977; Templeton, 1960
- -Vm 52.9
-Hydroxyapatite
- Ca5(PO4)3OH + 4 H+ = H2O + 3 HPO4-2 + 5 Ca+2
- -log_k -3.421
- -delta_h -36.155 kcal
- -Vm 128.9
-Fluorite
- CaF2 = Ca+2 + 2 F-
- -log_k -10.6
- -delta_h 4.69 kcal
- -analytic 66.348 0.0 -4298.2 -25.271
- -Vm 15.7
-SiO2(a)
- SiO2 + 2 H2O = H4SiO4
- -log_k -2.71
- -delta_h 3.340 kcal
- -analytic -0.26 0.0 -731.0
-Chalcedony
- SiO2 + 2 H2O = H4SiO4
- -log_k -3.55
- -delta_h 4.720 kcal
- -analytic -0.09 0.0 -1032.0
- -Vm 23.1
-Quartz
- SiO2 + 2 H2O = H4SiO4
- -log_k -3.98
- -delta_h 5.990 kcal
- -analytic 0.41 0.0 -1309.0
- -Vm 22.67
-Gibbsite
- Al(OH)3 + 3 H+ = Al+3 + 3 H2O
- -log_k 8.11
- -delta_h -22.800 kcal
- -Vm 32.22
-Al(OH)3(a)
- Al(OH)3 + 3 H+ = Al+3 + 3 H2O
- -log_k 10.8
- -delta_h -26.500 kcal
-Kaolinite
- Al2Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 2 Al+3
- -log_k 7.435
- -delta_h -35.300 kcal
- -Vm 99.35
-Albite
- NaAlSi3O8 + 8 H2O = Na+ + Al(OH)4- + 3 H4SiO4
- -log_k -18.002
- -delta_h 25.896 kcal
- -Vm 101.31
-Anorthite
- CaAl2Si2O8 + 8 H2O = Ca+2 + 2 Al(OH)4- + 2 H4SiO4
- -log_k -19.714
- -delta_h 11.580 kcal
- -Vm 105.05
-K-feldspar
- KAlSi3O8 + 8 H2O = K+ + Al(OH)4- + 3 H4SiO4
- -log_k -20.573
- -delta_h 30.820 kcal
- -Vm 108.15
-K-mica
- KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 H4SiO4
- -log_k 12.703
- -delta_h -59.376 kcal
-Chlorite(14A)
- Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 + 3H4SiO4 + 6H2O
- -log_k 68.38
- -delta_h -151.494 kcal
-Ca-Montmorillonite
- Ca0.165Al2.33Si3.67O10(OH)2 + 12 H2O = 0.165Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+
- -log_k -45.027
- -delta_h 58.373 kcal
- -Vm 156.16
-Talc
- Mg3Si4O10(OH)2 + 4 H2O + 6 H+ = 3 Mg+2 + 4 H4SiO4
- -log_k 21.399
- -delta_h -46.352 kcal
- -Vm 68.34
-Illite
- K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2H2O = 0.6K+ + 0.25Mg+2 + 2.3Al(OH)4- + 3.5H4SiO4 + 1.2H+
- -log_k -40.267
- -delta_h 54.684 kcal
- -Vm 141.48
-Chrysotile
- Mg3Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 3 Mg+2
- -log_k 32.2
- -delta_h -46.800 kcal
- -analytic 13.248 0.0 10217.1 -6.1894
- -Vm 106.5808 # 277.11/2.60
-Sepiolite
- Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4
- -log_k 15.760
- -delta_h -10.700 kcal
- -Vm 143.765
-Sepiolite(d)
- Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4
- -log_k 18.66
-Hematite
- Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O
- -log_k -4.008
- -delta_h -30.845 kcal
- -Vm 30.39
-Goethite
- FeOOH + 3 H+ = Fe+3 + 2 H2O
- -log_k -1.0
- -delta_h -14.48 kcal
- -Vm 20.84
-Fe(OH)3(a)
- Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O
- -log_k 4.891
-Pyrite
- FeS2 + 2 H+ + 2 e- = Fe+2 + 2 HS-
- -log_k -18.479
- -delta_h 11.300 kcal
- -Vm 23.48
-FeS(ppt)
- FeS + H+ = Fe+2 + HS-
- -log_k -3.915
-Mackinawite
- FeS + H+ = Fe+2 + HS-
- -log_k -4.648
- -Vm 20.45
-Sulfur
- S + 2H+ + 2e- = H2S
- -log_k 4.882
- -delta_h -9.5 kcal
-Vivianite
- Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O
- -log_k -36.0
-Pyrolusite # H2O added for surface calc's
- MnO2:H2O + 4 H+ + 2 e- = Mn+2 + 3 H2O
- -log_k 41.38
- -delta_h -65.110 kcal
-Hausmannite
- Mn3O4 + 8 H+ + 2 e- = 3 Mn+2 + 4 H2O
- -log_k 61.03
- -delta_h -100.640 kcal
-Manganite
- MnOOH + 3 H+ + e- = Mn+2 + 2 H2O
- -log_k 25.34
-Pyrochroite
- Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O
- -log_k 15.2
-Halite
- NaCl = Cl- + Na+
- log_k 1.570
- -delta_h 1.37
- #-analytic -713.4616 -.1201241 37302.21 262.4583 -2106915.
- -Vm 27.1
-Sylvite
- KCl = K+ + Cl-
- log_k 0.900
- -delta_h 8.5
- # -analytic 3.984 0.0 -919.55
- Vm 37.5
-CO2(g)
- CO2 = CO2
- -log_k -1.468
- -delta_h -4.776 kcal
- -analytic 10.5624 -2.3547e-2 -3972.8 0 5.8746e5 1.9194e-5
- -T_c 304.2 # critical T, K
- -P_c 72.86 # critical P, atm
- -Omega 0.225 # acentric factor
-H2O(g)
- H2O = H2O
- -log_k 1.506; delta_h -44.03 kJ
- -T_c 647.3
- -P_c 217.60
- -Omega 0.344
- -analytic -16.5066 -2.0013E-3 2710.7 3.7646 0 2.24E-6
-
-# Gases from LLNL...
-O2(g)
- O2 = O2
- -log_k -2.8983
- -analytic -7.5001 7.8981e-3 0.0 0.0 2.0027e5
- -T_c 154.6; -P_c 49.80; -Omega 0.021
-H2(g)
- H2 = H2
- -log_k -3.1050
- -delta_h -4.184 kJ
- -analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5
- -T_c 33.2; -P_c 12.80; -Omega -0.225
-N2(g)
- N2 = N2
- -log_k -3.1864
- -analytic -58.453 1.818e-3 3199 17.909 -27460
- -T_c 126.2; -P_c 33.50; -Omega 0.039
-H2S(g)
- H2S = H+ + HS-
- -log_k -7.9759
- -analytic -97.354 -3.1576e-2 1.8285e3 37.44 28.56
- -T_c 373.2; -P_c 88.20; -Omega 0.1
-CH4(g)
- CH4 = CH4
- -log_k -2.8
- -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C
- -T_c 190.6 ; -P_c 45.40 ; -Omega 0.008
-Amm(g)
- Amm = Amm
- -log_k 1.7966
- -analytic -18.758 3.3670e-4 2.5113e3 4.8619 39.192
- -T_c 405.6; -P_c 111.3; -Omega 0.25
-# redox-uncoupled gases
-Oxg(g)
- Oxg = Oxg
- -analytic -7.5001 7.8981e-3 0.0 0.0 2.0027e5
- -T_c 154.6 ; -P_c 49.80 ; -Omega 0.021
-Hdg(g)
- Hdg = Hdg
- -analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5
- -T_c 33.2 ; -P_c 12.80 ; -Omega -0.225
-Ntg(g)
- Ntg = Ntg
- -analytic -58.453 1.81800e-3 3199 17.909 -27460
- T_c 126.2 ; -P_c 33.50 ; -Omega 0.039
-Mtg(g)
- Mtg = Mtg
- -log_k -2.8
- -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C
- -T_c 190.6 ; -P_c 45.40 ; -Omega 0.008
-H2Sg(g)
- H2Sg = H+ + HSg-
- -analytic -97.354 -3.1576e-2 1.8285e3 37.44 28.56
- -T_c 373.2 ; -P_c 88.20 ; -Omega 0.1
-Melanterite
- FeSO4:7H2O = 7 H2O + Fe+2 + SO4-2
- -log_k -2.209
- -delta_h 4.910 kcal
- -analytic 1.447 -0.004153 0.0 0.0 -214949.0
-Alunite
- KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6H2O
- -log_k -1.4
- -delta_h -50.250 kcal
-Jarosite-K
- KFe3(SO4)2(OH)6 + 6 H+ = 3 Fe+3 + 6 H2O + K+ + 2 SO4-2
- -log_k -9.21
- -delta_h -31.280 kcal
-Zn(OH)2(e)
- Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
- -log_k 11.5
-Smithsonite
- ZnCO3 = Zn+2 + CO3-2
- -log_k -10.0
- -delta_h -4.36 kcal
-Sphalerite
- ZnS + H+ = Zn+2 + HS-
- -log_k -11.618
- -delta_h 8.250 kcal
-Willemite 289
- Zn2SiO4 + 4H+ = 2Zn+2 + H4SiO4
- -log_k 15.33
- -delta_h -33.37 kcal
-Cd(OH)2
- Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O
- -log_k 13.65
-Otavite 315
- CdCO3 = Cd+2 + CO3-2
- -log_k -12.1
- -delta_h -0.019 kcal
-CdSiO3 328
- CdSiO3 + H2O + 2H+ = Cd+2 + H4SiO4
- -log_k 9.06
- -delta_h -16.63 kcal
-CdSO4 329
- CdSO4 = Cd+2 + SO4-2
- -log_k -0.1
- -delta_h -14.74 kcal
-Cerussite 365
- PbCO3 = Pb+2 + CO3-2
- -log_k -13.13
- -delta_h 4.86 kcal
-Anglesite 384
- PbSO4 = Pb+2 + SO4-2
- -log_k -7.79
- -delta_h 2.15 kcal
-Pb(OH)2 389
- Pb(OH)2 + 2H+ = Pb+2 + 2H2O
- -log_k 8.15
- -delta_h -13.99 kcal
-
-EXCHANGE_MASTER_SPECIES
- X X-
-EXCHANGE_SPECIES
- X- = X-
- -log_k 0.0
-
- Na+ + X- = NaX
- -log_k 0.0
- -gamma 4.08 0.082
-
- K+ + X- = KX
- -log_k 0.7
- -gamma 3.5 0.015
- -delta_h -4.3 # Jardine & Sparks, 1984
-
- Li+ + X- = LiX
- -log_k -0.08
- -gamma 6.0 0
- -delta_h 1.4 # Merriam & Thomas, 1956
-
-# !!!!!
-# H+ + X- = HX
-# -log_k 1.0
-# -gamma 9.0 0
-
- AmmH+ + X- = AmmHX
- -log_k 0.6
- -gamma 2.5 0
- -delta_h -2.4 # Laudelout et al., 1968
-
- Ca+2 + 2X- = CaX2
- -log_k 0.8
- -gamma 5.0 0.165
- -delta_h 7.2 # Van Bladel & Gheyl, 1980
-
- Mg+2 + 2X- = MgX2
- -log_k 0.6
- -gamma 5.5 0.2
- -delta_h 7.4 # Laudelout et al., 1968
-
- Sr+2 + 2X- = SrX2
- -log_k 0.91
- -gamma 5.26 0.121
- -delta_h 5.5 # Laudelout et al., 1968
-
- Ba+2 + 2X- = BaX2
- -log_k 0.91
- -gamma 4.0 0.153
- -delta_h 4.5 # Laudelout et al., 1968
-
- Mn+2 + 2X- = MnX2
- -log_k 0.52
- -gamma 6.0 0
-
- Fe+2 + 2X- = FeX2
- -log_k 0.44
- -gamma 6.0 0
-
- Cu+2 + 2X- = CuX2
- -log_k 0.6
- -gamma 6.0 0
-
- Zn+2 + 2X- = ZnX2
- -log_k 0.8
- -gamma 5.0 0
-
- Cd+2 + 2X- = CdX2
- -log_k 0.8
- -gamma 0.0 0
-
- Pb+2 + 2X- = PbX2
- -log_k 1.05
- -gamma 0.0 0
-
- Al+3 + 3X- = AlX3
- -log_k 0.41
- -gamma 9.0 0
-
- AlOH+2 + 2X- = AlOHX2
- -log_k 0.89
- -gamma 0.0 0
-
-SURFACE_MASTER_SPECIES
- Hfo_s Hfo_sOH
- Hfo_w Hfo_wOH
-SURFACE_SPECIES
-# All surface data from
-# Dzombak and Morel, 1990
-#
-#
-# Acid-base data from table 5.7
-#
-# strong binding site--Hfo_s,
-
- Hfo_sOH = Hfo_sOH
- -log_k 0
-
- Hfo_sOH + H+ = Hfo_sOH2+
- -log_k 7.29 # = pKa1,int
-
- Hfo_sOH = Hfo_sO- + H+
- -log_k -8.93 # = -pKa2,int
-
-# weak binding site--Hfo_w
-
- Hfo_wOH = Hfo_wOH
- -log_k 0
-
- Hfo_wOH + H+ = Hfo_wOH2+
- -log_k 7.29 # = pKa1,int
-
- Hfo_wOH = Hfo_wO- + H+
- -log_k -8.93 # = -pKa2,int
-###############################################
-# CATIONS #
-###############################################
-#
-# Cations from table 10.1 or 10.5
-#
-# Calcium
- Hfo_sOH + Ca+2 = Hfo_sOHCa+2
- -log_k 4.97
-
- Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+
- -log_k -5.85
-# Strontium
- Hfo_sOH + Sr+2 = Hfo_sOHSr+2
- -log_k 5.01
-
- Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+
- -log_k -6.58
-
- Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+
- -log_k -17.6
-# Barium
- Hfo_sOH + Ba+2 = Hfo_sOHBa+2
- -log_k 5.46
-
- Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+
- -log_k -7.2 # table 10.5
-#
-# Cations from table 10.2
-#
-# Cadmium
- Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+
- -log_k 0.47
-
- Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+
- -log_k -2.91
-# Zinc
- Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+
- -log_k 0.99
-
- Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+
- -log_k -1.99
-# Copper
- Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+
- -log_k 2.89
-
- Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+
- -log_k 0.6 # table 10.5
-# Lead
- Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+
- -log_k 4.65
-
- Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+
- -log_k 0.3 # table 10.5
-#
-# Derived constants table 10.5
-#
-# Magnesium
- Hfo_wOH + Mg+2 = Hfo_wOMg+ + H+
- -log_k -4.6
-# Manganese
- Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+
- -log_k -0.4 # table 10.5
-
- Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+
- -log_k -3.5 # table 10.5
-# Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, EST 36, 3096
- Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+
- -log_k -0.95
-# Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M
- Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+
- -log_k -2.98
-
- Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2H+
- -log_k -11.55
-###############################################
-# ANIONS #
-###############################################
-#
-# Anions from table 10.6
-#
-# Phosphate
- Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O
- -log_k 31.29
-
- Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O
- -log_k 25.39
-
- Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O
- -log_k 17.72
-#
-# Anions from table 10.7
-#
-# Borate
- Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O
- -log_k 0.62
-#
-# Anions from table 10.8
-#
-# Sulfate
- Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O
- -log_k 7.78
-
- Hfo_wOH + SO4-2 = Hfo_wOHSO4-2
- -log_k 0.79
-#
-# Derived constants table 10.10
-#
- Hfo_wOH + F- + H+ = Hfo_wF + H2O
- -log_k 8.7
-
- Hfo_wOH + F- = Hfo_wOHF-
- -log_k 1.6
-#
-# Carbonate: Van Geen et al., 1994 reoptimized for D&M model
-#
- Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O
- -log_k 12.56
-
- Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O
- -log_k 20.62
-
-RATES
-
-###########
-#Quartz
-###########
-#
-#######
-# Example of quartz kinetic rates block:
-# KINETICS
-# Quartz
-# -m0 158.8 # 90 % Qu
-# -parms 0.146 1.5
-# -step 3.1536e8 in 10
-# -tol 1e-12
-
-Quartz
- -start
-1 REM Specific rate k from Rimstidt and Barnes, 1980, GCA 44,1683
-2 REM k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol
-3 REM sp. rate * parm(2) due to salts (Dove and Rimstidt, MSA Rev. 29, 259)
-4 REM PARM(1) = Specific area of Quartz, m^2/mol Quartz
-5 REM PARM(2) = salt correction: (1 + 1.5 * c_Na (mM)), < 35
-
-10 dif_temp = 1/TK - 1/298
-20 pk_w = 13.7 + 4700.4 * dif_temp
-40 moles = PARM(1) * M0 * PARM(2) * (M/M0)^0.67 * 10^-pk_w * (1 - SR("Quartz"))
-# Integrate...
-50 SAVE moles * TIME
- -end
-
-###########
-#K-feldspar
-###########
-#
-# Sverdrup and Warfvinge, 1995, Estimating field weathering rates
-# using laboratory kinetics: Reviews in mineralogy and geochemistry,
-# vol. 31, p. 485-541.
-#
-# As described in:
-# Appelo and Postma, 2005, Geochemistry, groundwater
-# and pollution, 2nd Edition: A.A. Balkema Publishers,
-# p. 162-163 and 395-399.
-#
-# Assume soil is 10% K-feldspar by mass in 1 mm spheres (radius 0.05 mm)
-# Assume density of rock and Kspar is 2600 kg/m^3 = 2.6 kg/L
-# GFW Kspar 0.278 kg/mol
-#
-# Moles of Kspar per liter pore space calculation:
-# Mass of rock per liter pore space = 0.7*2.6/0.3 = 6.07 kg rock/L pore space
-# Mass of Kspar per liter pore space 6.07x0.1 = 0.607 kg Kspar/L pore space
-# Moles of Kspar per liter pore space 0.607/0.278 = 2.18 mol Kspar/L pore space
-#
-# Specific area calculation:
-# Volume of sphere 4/3 x pi x r^3 = 5.24e-13 m^3 Kspar/sphere
-# Mass of sphere 2600 x 5.24e-13 = 1.36e-9 kg Kspar/sphere
-# Moles of Kspar in sphere 1.36e-9/0.278 = 4.90e-9 mol Kspar/sphere
-# Surface area of one sphere 4 x pi x r^2 = 3.14e-8 m^2/sphere
-# Specific area of K-feldspar in sphere 3.14e-8/4.90e-9 = 6.41 m^2/mol Kspar
-#
-#
-# Example of KINETICS data block for K-feldspar rate:
-# KINETICS 1
-# K-feldspar
-# -m0 2.18 # 10% Kspar, 0.1 mm cubes
-# -m 2.18 # Moles per L pore space
-# -parms 6.41 0.1 # m^2/mol Kspar, fraction adjusts lab rate to field rate
-# -time 1.5 year in 40
-
-K-feldspar
- -start
-1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
-2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar
-3 REM PARM(2) = Adjusts lab rate to field rate
-4 REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
-5 REM K-Feldspar parameters
-10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3
-20 RESTORE 10
-30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
-40 DATA 3500, 2000, 2500, 2000
-50 RESTORE 40
-60 READ e_H, e_H2O, e_OH, e_CO2
-70 pk_CO2 = 13
-80 n_CO2 = 0.6
-100 REM Generic rate follows
-110 dif_temp = 1/TK - 1/281
-120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
-130 REM rate by H+
-140 pk_H = pk_H + e_H * dif_temp
-150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
-160 REM rate by hydrolysis
-170 pk_H2O = pk_H2O + e_H2O * dif_temp
-180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC)
-190 REM rate by OH-
-200 pk_OH = pk_OH + e_OH * dif_temp
-210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH
-220 REM rate by CO2
-230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp
-240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2
-250 rate = rate_H + rate_H2O + rate_OH + rate_CO2
-260 area = PARM(1) * M0 *(M/M0)^0.67
-270 rate = PARM(2) * area * rate * (1-SR("K-feldspar"))
-280 moles = rate * TIME
-290 SAVE moles
- -end
-
-
-###########
-#Albite
-###########
-#
-# Sverdrup and Warfvinge, 1995, Estimating field weathering rates
-# using laboratory kinetics: Reviews in mineralogy and geochemistry,
-# vol. 31, p. 485-541.
-#
-# As described in:
-# Appelo and Postma, 2005, Geochemistry, groundwater
-# and pollution, 2nd Edition: A.A. Balkema Publishers,
-# p. 162-163 and 395-399.
-#
-# Example of KINETICS data block for Albite rate:
-# KINETICS 1
-# Albite
-# -m0 0.46 # 2% Albite, 0.1 mm cubes
-# -m 0.46 # Moles per L pore space
-# -parms 6.04 0.1 # m^2/mol Albite, fraction adjusts lab rate to field rate
-# -time 1.5 year in 40
-#
-# Assume soil is 2% Albite by mass in 1 mm spheres (radius 0.05 mm)
-# Assume density of rock and Albite is 2600 kg/m^3 = 2.6 kg/L
-# GFW Albite 0.262 kg/mol
-#
-# Moles of Albite per liter pore space calculation:
-# Mass of rock per liter pore space = 0.7*2.6/0.3 = 6.07 kg rock/L pore space
-# Mass of Albite per liter pore space 6.07x0.02 = 0.121 kg Albite/L pore space
-# Moles of Albite per liter pore space 0.607/0.262 = 0.46 mol Albite/L pore space
-#
-# Specific area calculation:
-# Volume of sphere 4/3 x pi x r^3 = 5.24e-13 m^3 Albite/sphere
-# Mass of sphere 2600 x 5.24e-13 = 1.36e-9 kg Albite/sphere
-# Moles of Albite in sphere 1.36e-9/0.262 = 5.20e-9 mol Albite/sphere
-# Surface area of one sphere 4 x pi x r^2 = 3.14e-8 m^2/sphere
-# Specific area of Albite in sphere 3.14e-8/5.20e-9 = 6.04 m^2/mol Albite
-
-Albite
- -start
-1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
-2 REM PARM(1) = Specific area of Albite m^2/mol Albite
-3 REM PARM(2) = Adjusts lab rate to field rate
-4 REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
-5 REM Albite parameters
-10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3
-20 RESTORE 10
-30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
-40 DATA 3500, 2000, 2500, 2000
-50 RESTORE 40
-60 READ e_H, e_H2O, e_OH, e_CO2
-70 pk_CO2 = 13
-80 n_CO2 = 0.6
-100 REM Generic rate follows
-110 dif_temp = 1/TK - 1/281
-120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
-130 REM rate by H+
-140 pk_H = pk_H + e_H * dif_temp
-150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
-160 REM rate by hydrolysis
-170 pk_H2O = pk_H2O + e_H2O * dif_temp
-180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC)
-190 REM rate by OH-
-200 pk_OH = pk_OH + e_OH * dif_temp
-210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH
-220 REM rate by CO2
-230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp
-240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2
-250 rate = rate_H + rate_H2O + rate_OH + rate_CO2
-260 area = PARM(1) * M0 *(M/M0)^0.67
-270 rate = PARM(2) * area * rate * (1-SR("Albite"))
-280 moles = rate * TIME
-290 SAVE moles
- -end
-
-########
-#Calcite
-########
-# Example of KINETICS data block for calcite rate,
-# in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257.
-# KINETICS 1
-# Calcite
-# -tol 1e-8
-# -m0 3.e-3
-# -m 3.e-3
-# -parms 1.67e5 0.6 # cm^2/mol calcite, exp factor
-# -time 1 day
-
-Calcite
- -start
-1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite
-2 REM PARM(2) = exponent for M/M0
-
-10 si_cc = SI("Calcite")
-20 IF (M <= 0 and si_cc < 0) THEN GOTO 200
-30 k1 = 10^(0.198 - 444.0 / TK )
-40 k2 = 10^(2.84 - 2177.0 /TK )
-50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317.0 / TK)
-60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737.0 / TK )
-80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M
-110 rate = area * (k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O"))
-120 rate = rate * (1 - 10^(2/3*si_cc))
-130 moles = rate * 0.001 * TIME # convert from mmol to mol
-200 SAVE moles
- -end
-
-#######
-#Pyrite
-#######
-#
-# Williamson, M.A. and Rimstidt, J.D., 1994,
-# Geochimica et Cosmochimica Acta, v. 58, p. 5443-5454,
-# rate equation is mol m^-2 s^-1.
-#
-# Example of KINETICS data block for pyrite rate:
-# KINETICS 1
-# Pyrite
-# -tol 1e-8
-# -m0 5.e-4
-# -m 5.e-4
-# -parms 0.3 0.67 .5 -0.11
-# -time 1 day in 10
-Pyrite
- -start
-1 REM Williamson and Rimstidt, 1994
-2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite)
-3 REM PARM(2) = exp for (M/M0)
-4 REM PARM(3) = exp for O2
-5 REM PARM(4) = exp for H+
-
-10 REM Dissolution in presence of DO
-20 if (M <= 0) THEN GOTO 200
-30 if (SI("Pyrite") >= 0) THEN GOTO 200
-40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+")
-50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0)
-60 moles = 10^(log_area + log_rate) * TIME
-200 SAVE moles
- -end
-
-##########
-#Organic_C
-##########
-#
-# Example of KINETICS data block for SOC (sediment organic carbon):
-# KINETICS 1
-# Organic_C
-# -formula C
-# -tol 1e-8
-# -m 5e-3 # SOC in mol
-# -time 30 year in 15
-Organic_C
- -start
-1 REM Additive Monod kinetics for SOC (sediment organic carbon)
-2 REM Electron acceptors: O2, NO3, and SO4
-
-10 if (M <= 0) THEN GOTO 200
-20 mO2 = MOL("O2")
-30 mNO3 = TOT("N(5)")
-40 mSO4 = TOT("S(6)")
-50 k_O2 = 1.57e-9 # 1/sec
-60 k_NO3 = 1.67e-11 # 1/sec
-70 k_SO4 = 1.e-13 # 1/sec
-80 rate = k_O2 * mO2/(2.94e-4 + mO2)
-90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3)
-100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4)
-110 moles = rate * M * (M/M0) * TIME
-200 SAVE moles
- -end
-
-###########
-#Pyrolusite
-###########
-#
-# Postma, D. and Appelo, C.A.J., 2000, GCA, vol. 64, pp. 1237-1247.
-# Rate equation given as mol L^-1 s^-1
-#
-# Example of KINETICS data block for Pyrolusite
-# KINETICS 1-12
-# Pyrolusite
-# -tol 1.e-7
-# -m0 0.1
-# -m 0.1
-# -time 0.5 day in 10
-Pyrolusite
- -start
-10 if (M <= 0) THEN GOTO 200
-20 sr_pl = SR("Pyrolusite")
-30 if (sr_pl > 1) THEN GOTO 100
-40 REM sr_pl <= 1, undersaturated
-50 Fe_t = TOT("Fe(2)")
-60 if Fe_t < 1e-8 then goto 200
-70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl)
-80 GOTO 200
-100 REM sr_pl > 1, supersaturated
-110 moles = 2e-3 * 6.98e-5 * (1 - sr_pl) * TIME
-200 SAVE moles * SOLN_VOL
- -end
-END
-
-# For the reaction aA + bB = cC + dD,
-# with delta_v = c*Vm(C) + d*Vm(D) - a*Vm(A) - b*Vm(B),
-# PHREEQC adds the pressure term to log_k: -= delta_v * (P - 1) / (2.3RT).
-# Vm(A) is volume of A, cm3/mol, P is pressure, atm, R is the gas constant, T is Kelvin.
-# Gas-pressures and fugacity coefficients are calculated with Peng-Robinson's EOS.
-# Binary interaction coefficients from Soreide and Whitson, 1992, FPE 77, 217 are
-# hard-coded in calc_PR():
-# kij CH4 CO2 H2S N2
-# H2O 0.49 0.19 0.19 0.49
-# =============================================================================================
-# The molar volumes of solids are entered with
-# -Vm vm cm3/mol
-# vm is the molar volume, cm3/mol (default), but dm3/mol and m3/mol are permitted.
-# Data for minerals' vm (= MW (g/mol) / rho (g/cm3)) are defined using rho from
-# Deer, Howie and Zussman, The rock-forming minerals, Longman.
-# --------------------
-# Temperature- and pressure-dependent volumina of aqueous species are calculated with a Redlich-
-# type equation (cf. Redlich and Meyer, Chem. Rev. 64, 221), from parameters entered with
-# -Vm a1 a2 a3 a4 W a0 i1 i2 i3 i4
-# The volume (cm3/mol) is
-# Vm(T, pb, I) = 41.84 * (a1 * 0.1 + a2 * 100 / (2600 + pb) + a3 / (T - 228) +
-# a4 * 1e4 / (2600 + pb) / (T - 228) - W * QBrn)
-# + z^2 / 2 * Av * f(I^0.5)
-# + (i1 + i2 / (T - 228) + i3 * (T - 228)) * I^i4
-# Volumina at I = 0 are obtained using supcrt92 formulas (Johnson et al., 1992, CG 18, 899).
-# 41.84 transforms cal/bar/mol into cm3/mol.
-# pb is pressure in bar.
-# W * QBrn is the energy of solvation, calculated from W and the pressure dependence of the Born equation,
-# W is fitted on measured solution densities.
-# z is charge of the solute species.
-# Av is the Debye-Hückel limiting slope (DH_AV in PHREEQC basic).
-# a0 is the ion-size parameter in the extended Debye-Hückel equation:
-# f(I^0.5) = I^0.5 / (1 + a0 * DH_B * I^0.5),
-# a0 = -gamma x for cations, = 0 for anions.
-# For details, consult ref. 1.
-#
-# ref. 1: Appelo, Parkhurst and Post, 2014. Geochim. Cosmochim. Acta 125, 49–67.
-# ref. 2: Procedures from ref. 1 using data compiled by Laliberté, 2009, J. Chem. Eng. Data 54, 1725.
-# ref. 3: Appelo, 2017, Cem. Concr. Res. 101, 102-113.
-#
-# =============================================================================================
-# It remains the responsibility of the user to check the calculated results, for example with
-# measured solubilities as a function of (P, T).
-
diff --git a/Tests/Data/PhreeqcDatabase/Amm.dat b/Tests/Data/PhreeqcDatabase/Amm.dat
new file mode 120000
index 00000000000..22b5dcfc18d
--- /dev/null
+++ b/Tests/Data/PhreeqcDatabase/Amm.dat
@@ -0,0 +1 @@
+../../../ThirdParty/iphreeqc/src/database/Amm.dat
\ No newline at end of file
diff --git a/Tests/Data/PhreeqcDatabase/ColdChem.dat b/Tests/Data/PhreeqcDatabase/ColdChem.dat
deleted file mode 100644
index 0ed15f0a459..00000000000
--- a/Tests/Data/PhreeqcDatabase/ColdChem.dat
+++ /dev/null
@@ -1,267 +0,0 @@
-# A low-temperature aqueous thermodynamic model for the Na-K-Ca-Mg-Cl-SO4 system incorporating new experimental heat capacities in Na2SO4, K2SO4, and MgSO4 solutions
-# Jonathan D. Toner* and David C. Catling
-#
-# University of Washington, Box 351310, Dept. Earth & Space Sciences, Seattle, WA 98195, USA.
-#
-# *Corresponding author.
-# Address: Department of Earth and Space Sciences,
-# University of Washington,
-# Seattle, WA 98195, USA.
-# Tel.: +1 267 304 3488.
-# E-mail address: toner2@uw.edu.
-
-
-
-SOLUTION_MASTER_SPECIES
-H H+ -1 H 1.008
-H(1) H+ -1 0
-E e- 0 0 0
-O H2O 0 O 15.999
-O(-2) H2O 0 0
-Ca Ca+2 0 Ca 40.08
-Mg Mg+2 0 Mg 24.31
-Na Na+ 0 Na 22.99
-K K+ 0 K 39.1
-Cl Cl- 0 Cl 35.45
-S SO4-2 0 SO4 32.064
-S(6) SO4-2 0 SO4
-
-SOLUTION_SPECIES
-H+ = H+
- log_k 0
-e- = e-
- log_k 0
-H2O = H2O
- log_k 0
-Ca+2 = Ca+2
- log_k 0
-Mg+2 = Mg+2
- log_k 0
-Na+ = Na+
- log_k 0
-K+ = K+
- log_k 0
-Cl- = Cl-
- log_k 0
-SO4-2 = SO4-2
- log_k 0
-H2O = OH- + H+
- log_k -14 #This is an arbitrary value that does not affect equilibrium calculations, but it is needed for the pH to converge
-
-PHASES
-Halite
- NaCl = Na+ + Cl-
- -analytic -9.23625740E+01 -7.13492206E-02 1.41235386E+03 4.37540523E+01 -7.21340330E+04 3.41140194E-05
-
-Hydrohalite
- NaCl:2H2O = Na+ + Cl- + 2H2O
- -analytic -1.17676947E+02 -6.72022066E-02 2.00972645E+03 5.29295029E+01 -8.71730584E+04 2.87396671E-05
-
-Sylvite
- KCl = K+ + Cl-
- -analytic 1.30535936E+02 -3.91368319E-02 -9.24194776E+03 -3.82764516E+01 3.37736436E+05 4.44874215E-05
-
-Bischofite
- MgCl2:6H2O = Mg+2 + 2Cl- + 6H2O
- -analytic 2.46395926E+01 5.90910963E-02 2.68456507E+03 -1.57871021E+01 -2.39877356E+05 -5.56842159E-05
-
-MgCl2:8H2O
- MgCl2:8H2O = Mg+2 + 2Cl- + 8H2O
- -analytic 2.69077213E+00 6.49725432E-02 2.56108150E+03 -7.33697311E+00 -2.53958289E+05 -6.18927911E-05
-
-MgCl2:12H2O
- MgCl2:12H2O = Mg+2 + 2Cl- + 12H2O
- -analytic -4.49253758E+01 7.67593043E-02 3.78276461E+03 9.06144419E+00 -2.82777364E+05 -7.34185840E-05
-
-Antarcticite
- CaCl2:6H2O = Ca+2 + 2Cl- + 6H2O
- -analytic 1.71173898E+02 1.63268100E-02 -8.70571336E+03 -5.91637207E+01 2.80039803E+05 3.89050726E-06
-
-Tachyhydrite
- CaCl2:(MgCl2)2:12H2O = Ca+2 + 2Mg+2 + 6Cl- + 12H2O
- -analytic 3.10860794E+02 1.20385179E-01 -8.86746311E+03 -1.17203076E+02 -1.54324050E+05 -9.23150187E-05
-
-Carnallite
- KCl:MgCl2:6H2O = K+ + Mg+2 + 3Cl- + 6H2O
- -analytic 1.56104237E+02 2.03620204E-02 -7.00685183E+03 -5.43378253E+01 9.81771561E+04 -1.14446488E-05
-
-Thenardite
- Na2SO4 = 2Na+ + SO4-2
- -analytic -3.13937828E+02 -1.76359486E-01 5.28479187E+03 1.38977671E+02 -7.05695508E+03 5.26794201E-05
-
-Na2SO4:7H2O
- Na2SO4:7H2O = SO4-2 + 2Na+ + 7H2O
- -analytic -3.68783721E+02 -1.33957871E-01 6.38320125E+03 1.55953002E+02 -4.38686621E+04 1.39735831E-05
-
-Mirabilite
- Na2SO4:10H2O = SO4-2 + 2Na+ + 10H2O
- -analytic -3.93041371E+02 -1.15799382E-01 6.95494838E+03 1.63237757E+02 -5.96588151E+04 -2.60642888E-06
-
-Arcanite
- K2SO4 = + SO4-2 + 2K+
- -analytic 1.41687324E+02 -1.05584131E-01 -1.62343991E+04 -2.94715072E+01 8.17047533E+05 6.96054072E-05
-
-Kieserite
- MgSO4:H2O = Mg+2 + SO4-2 + H2O
- -analytic -3.49669727E+01 1.76920651E-02 2.64049686E+03 1.08857869E+01 -6.34864920E+04 -6.11799971E-05
-
-Starkeyite
- MgSO4:4H2O = Mg+2 + SO4-2 + 4H2O
- -analytic -6.81724987E+01 2.94897825E-02 3.17069950E+03 2.23669891E+01 -7.98876029E+04 -7.25663369E-05
-
-Pentahydrite
- MgSO4:5H2O = Mg+2 + SO4-2 + 5H2O
- -analytic -6.92062298E+01 3.66908088E-02 3.13139607E+03 2.19723515E+01 -8.74531243E+04 -7.66417563E-05
-
-Hexahydrite
- MgSO4:6H2O = Mg+2 + SO4-2 + 6H2O
- -analytic -1.00693049E+02 2.98849036E-02 3.79328662E+03 3.44889393E+01 -9.77593009E+04 -7.58852810E-05
-
-Epsomite
- MgSO4:7H2O = Mg+2 + SO4-2 + 7H2O
- -analytic -1.10425078E+02 4.08263248E-02 3.95268946E+03 3.71600191E+01 -1.07994396E+05 -8.54183412E-05
-
-Meridianiite
- MgSO4:11H2O = Mg+2 + SO4-2 + 11H2O
- -analytic -1.13029147E+02 6.89739442E-02 3.43274278E+03 3.64737964E+01 -1.38912702E+05 -1.01323586E-04
-
-Anhydrite
- CaSO4 = Ca+2 + SO4-2
- -analytic 1.25508515E+02 -2.49527795E-02 -9.46640889E+03 -3.88058764E+01 4.68580957E+05 -3.78445438E-07
-
-Bassanite
- CaSO4:0.5H2O = Ca+2 + SO4-2 + 0.5H2O
- -analytic 1.18525066E+02 -2.42694474E-02 -9.09736725E+03 -3.62932246E+01 4.64837895E+05 -1.44767707E-06
-
-Gypsum
- CaSO4:2H2O = Ca+2 + SO4-2 + 2H2O
- -analytic 9.69061600E+01 -2.31595527E-02 -8.89061112E+03 -2.80934173E+01 4.52668487E+05 -4.08874814E-06
-
-Glaserite
- Na2SO4:3K2SO4 = 2 Na+ + 6 K+ + 4 SO4-2
- -analytic 1.10794543E+02 -4.93115909E-01 -4.38771671E+04 5.05658399E+01 2.44408218E+06 2.61498202E-04
-
-Bloedite
- Na2SO4:MgSO4:4H2O = Mg+2 + 2 Na+ + 2 SO4-2 + 4 H2O
- -analytic -3.75885479E+02 -1.46894117E-01 6.19555534E+03 1.61361329E+02 -8.69668193E+04 -1.98717832E-05
-
-Glauberite
- Na2SO4:CaSO4 = Ca+2 + 2 Na+ + 2 SO4-2
- -analytic -1.87511668E+02 -2.01304073E-01 -4.60183145E+03 1.00166462E+02 4.61530552E+05 5.22956285E-05
-
-Labile_Salt
- Na4(SO4)2:CaSO4:2H2O = Ca+2 + 4 Na+ + 3 SO4-2 + 2 H2O
- -analytic -5.25232591E+02 -3.75040464E-01 2.14771374E+02 2.49266418E+02 4.39413848E+05 1.00769993E-04
-
-Leonite
- K2SO4:MgSO4:4H2O = Mg+2 + 2 K+ + 2 SO4-2 + 4 H2O
- -analytic 7.37667329E+01 -7.60958854E-02 -1.35246770E+04 -7.10349343E+00 7.37158615E+05 -2.95995158E-06
-
-Picromerite
- K2SO4:MgSO4:6H2O = Mg+2 + 2 K+ + 2 SO4-2 + 6 H2O
- -analytic 4.20245214E+01 -7.57009316E-02 -1.30402925E+04 5.01856840E+00 7.19286773E+05 -6.27878932E-06
-
-Langbeinite
- K2SO4:2MgSO4 = 2 Mg+2 + 2 K+ + 3 SO4-2
- -analytic 8.78610984E+01 -7.72219676E-02 -1.09297236E+04 -1.43233545E+01 7.06598327E+05 -4.61211534E-05
-
-Syngenite
- K2SO4:CaSO4:H2O = Ca+2 + 2 K+ + 2 SO4-2 + H2O
- -analytic 2.54391866E+02 -1.29225053E-01 -2.60137019E+04 -6.32157717E+01 1.27809630E+06 6.71236125E-05
-
-Kainite
- KCl:MgSO4:2.75H2O = Mg+2 + K+ + SO4-2 + Cl- + 2.75 H2O
- -analytic 7.47495508E+01 -1.37384934E-02 -6.25984683E+03 -2.04483400E+01 2.67789365E+05 -2.40584160E-05
-
-Polyhalite
- K2SO4:MgSO4:Ca2(SO4)2:2H2O = 2 Ca+2 + Mg+2 + 2 K+ + 4 SO4-2 + 2H2O
- -analytic 3.40116106E+02 -1.38682532E-01 -3.28748928E+04 -8.93875361E+01 1.68392249E+06 6.77703603E-06
-
-Ice(s)
- H2O = H2O
- -analytic -1.10976341E+01 5.11995404E-03 3.48880086E+02 3.65409383E+00 -7.51772938E+03 -5.09587694E-06
-
-PITZER
--MacInnes false
--use_etheta true
--redox false
-
--B0
-Na+ Cl- 9.14649401E-02 3.79801366E+02 -4.90110805E+00 2.22963373E-03 1.52080581E-05 -1.23087011E+05
-K+ Cl- 5.71195081E-02 -2.90431558E+02 -1.48678192E+00 -1.64799613E-03 5.54444329E-06 -1.30826093E+04
-Ca+2 Cl- 3.16259193E+00 -1.23921067E+03 -3.93053140E+00 -8.65400860E-03 -1.31441465E-05 -2.45290782E+05
-Mg+2 Cl- 3.63859308E-01 8.29468216E+02 -1.92141894E-01 3.07212441E-03 -3.00517607E-07 -8.27658755E+04
-Na+ SO4-2 -3.46325304E-02 -1.23902955E+03 -3.91132942E+00 -1.04975634E-03 6.84916461E-06 3.91127017E+04
-K+ SO4-2 -2.85235185E-01 -4.96002051E+02 -4.38384404E+00 -2.40952655E-02 6.03857471E-05 -1.46896107E+03
-Ca+2 SO4-2 4.92369892E-02 7.26898202E+04 7.76481530E+01 9.79624192E-01 -1.16664955E-03 -3.61557818E+06
-Mg+2 SO4-2 2.21726691E-01 -3.71912474E+03 -9.88159123E+00 -1.35278206E-03 1.05808689E-05 1.69215288E+05
-
--B1
-Na+ Cl- 2.84765738E-01 -5.29643274E+03 -1.44176456E+01 -1.65432118E-02 4.02189441E-05 2.49801971E+05
-K+ Cl- 2.11598280E-01 -1.64214177E+03 -7.25863112E+00 -9.73682396E-03 2.88345391E-05 1.08926901E+03
-Ca+2 Cl- 1.79602312E+00 -3.47835644E+03 -5.46805175E+00 -1.39156928E-02 1.11743263E-05 1.32399994E+05
-Mg+2 Cl- 1.66306195E+00 8.79459314E+03 1.70594977E+01 3.67157132E-02 -4.09093883E-05 -4.19173045E+05
-Na+ SO4-2 9.08435489E-01 2.92677599E+02 -2.41321273E+01 1.27034327E-01 -9.59077709E-05 -2.43541591E+05
-K+ SO4-2 3.80606793E-01 -2.87804839E+04 -2.83183661E+01 -3.01898316E-01 3.35058782E-04 1.58952951E+06
-Ca+2 SO4-2 3.61452594E+00 -2.00359432E+05 -3.62710742E+02 -2.50919770E+00 3.57835688E-03 8.40395776E+06
-Mg+2 SO4-2 3.31832544E+00 3.59303088E+04 1.06912025E+02 2.06266994E-01 -3.96723351E-04 -1.14174440E+06
-
--B2
-Na+ Cl- -2.43653114E-02 -3.89593796E+03 4.70784204E-01 -7.45515374E-03 -1.73562079E-05 3.44943259E+05
-K+ Cl- -1.13225945E-02 -1.01928896E+03 -1.37051659E+00 -4.23447042E-03 7.65961704E-07 4.77907476E+04
-Ca+2 Cl- -3.59786737E+00 2.05038674E+03 5.20141195E+00 1.24673606E-02 1.30373780E-05 2.42563331E+05
-Mg+2 Cl- -2.33325594E-02 1.89902359E+02 3.16007089E+00 5.23142195E-03 -1.58642893E-05 4.01051252E+04
-Na+ SO4-2 1.29297286E-01 -1.61114017E+03 9.74700333E-01 2.11100450E-02 -4.53880030E-05 1.67377181E+05
-K+ SO4-2 5.84120931E-01 -8.73709333E+03 9.79894787E+00 -6.05359427E-02 -2.94178063E-05 7.22133576E+05
-Ca+2 SO4-2 -6.48536341E+01 1.14702215E+06 6.07285214E+02 2.15271214E+01 -2.58888085E-02 -5.75996541E+07
-Mg+2 SO4-2 -3.43527864E+01 1.31036469E+06 2.93088060E+03 8.71247613E+00 -1.41457090E-02 -5.84119982E+07
-
--C0
-Na+ Cl- -1.44675793E-04 1.84098991E+02 3.10540828E-01 2.98078169E-03 -3.92989780E-06 -4.71597370E+03
-K+ Cl- -1.84317106E-03 -3.09193697E+02 -2.44073786E-01 -1.04873830E-03 5.99728205E-07 2.74053587E+04
-Ca+2 Cl- -6.25205928E-02 -3.28893136E+01 -1.55416953E-01 5.54063013E-04 3.21763846E-07 1.00838661E+04
-Mg+2 Cl- 4.54861472E-03 -1.43787677E+02 -2.70434720E-01 -8.33291002E-05 2.23958734E-07 1.08747231E+04
-Na+ SO4-2 1.13534592E-02 -3.21888276E+03 -3.85446069E+00 -2.48487042E-02 2.71996165E-05 1.97677249E+05
-K+ SO4-2 7.03370745E-02 1.08502374E+03 4.74518080E+00 9.13356461E-03 -2.52960231E-05 -1.74419961E+04
-Ca+2 SO4-2 -1.08807759E-01 -2.53266014E+04 -1.71588258E+01 -3.48129067E-01 3.76232190E-04 1.38133321E+06
-Mg+2 SO4-2 2.55536866E-02 -9.02540124E+02 -4.17375011E+00 5.55800908E-03 2.49279895E-07 3.06180721E+04
-
--ALPHAS
-Na+ Cl- 2 0.5
-K+ Cl- 2 0.5
-Ca+2 Cl- 1 0.1
-Mg+2 Cl- 2 0.5
-Na+ SO4-2 2 0.5
-K+ SO4-2 2 0.5
-Ca+2 SO4-2 1.4 12
-Mg+2 SO4-2 1.4 12
-
--PSI
-Na+ K+ Cl- -8.75146963E-04 -1.31251503E-01 1.46364991E-02 -3.89172849E-05 1.60456551E-08 -2.48979095E+01
-Na+ Ca+2 Cl- 7.10063151E-03 2.82235816E+01 1.39941607E-01 8.32672101E-05 -3.10321710E-07 -1.82187238E+03
-Na+ Mg+2 Cl- -8.72872402E-03 2.43863222E+02 -5.52482360E-01 8.08154172E-03 -7.45123570E-06 -1.42340505E+04
-K+ Ca+2 Cl- -9.70714792E-03 -4.44357423E+00 -3.10611807E-03 9.58988655E-06 -5.38702035E-09 1.11108536E+01
-K+ Mg+2 Cl- -3.09323702E-02 -8.72837467E+00 2.95701229E-02 -7.69621716E-05 3.67321725E-08 -1.46301115E+02
-Ca+2 Mg+2 Cl- -1.09027531E-02 -4.10818988E+02 -3.62754763E+00 1.31070634E-02 -8.26208145E-06 7.97179489E+03
-Na+ K+ SO4-2 -1.27611420E-02 2.81713911E+00 -1.89525727E-02 -6.18291854E-05 1.42613139E-07 -6.25022041E+02
-Na+ Ca+2 SO4-2 5.33425832E-02 -1.70285067E+01 1.67155581E-02 -9.67411193E-04 1.06636951E-06 -1.23592376E+02
-Na+ Mg+2 SO4-2 -1.77347610E-02 3.88799968E+01 9.48702274E-04 8.72904086E-04 -8.76652003E-07 -2.64288475E+03
-K+ Ca+2 SO4-2 -5.55210730E-02 2.93518621E+00 2.43344379E-02 1.05316015E-04 -1.42380401E-07 -6.07472163E+02
-K+ Mg+2 SO4-2 -8.49399083E-02 5.98416472E+00 3.84947636E-02 1.23884517E-03 -1.64233361E-06 2.26568876E+03
-Ca+2 Mg+2 SO4-2 2.04637869E-01 -1.16667890E+01 -1.07037103E-02 3.45946000E-05 -2.03457779E-08 3.59698969E+01
-Cl- SO4-2 Na+ -1.72341289E-03 -1.13569650E+02 2.41091280E-01 -4.08042439E-03 3.99143914E-06 5.94957078E+03
-Cl- SO4-2 K+ -1.03007766E-02 1.80071195E+01 3.18747408E-01 3.60028981E-03 -6.72334455E-06 6.71125585E+03
-Cl- SO4-2 Ca+2 1.27957580E-02 -3.05479710E+01 3.79027048E-01 -1.94285877E-03 1.28644701E-06 4.11737724E+03
-Cl- SO4-2 Mg+2 -3.46210276E-03 1.74736447E+02 6.67767841E+00 -3.84625718E-02 3.20532585E-05 1.29564286E+04
-
--THETA
-Na+ K+ -1.54666879E-02 7.81083072E+01 -1.48995996E-01 3.82165106E-03 -4.40548557E-06 -2.73675780E+03
-Na+ Ca+2 7.43104665E-02 5.37178181E+02 6.17477295E+00 -1.55668804E-02 1.12086386E-06 3.95388118E+03
-Na+ Mg+2 6.86826012E-02 6.27981446E+01 -9.36915659E-03 4.12764819E-03 -4.74889815E-06 2.30180082E+03
-K+ Ca+2 2.60269977E-02 -1.88203602E+01 9.23417097E-02 -2.39668221E-04 1.14016305E-07 -4.58969498E+02
-K+ Mg+2 4.43008071E-02 -1.52685212E+01 8.68101323E-02 2.98865403E-05 -1.54009323E-07 -1.16848834E+03
-Ca+2 Mg+2 2.59823638E-02 5.31416082E+01 3.16938224E-02 1.18349516E-03 -1.24977453E-06 -3.82815635E+03
-Cl- SO4-2 2.14067572E-02 -2.30216445E+02 -2.41145539E+00 5.51257757E-03 2.27890059E-07 -8.57246930E+02
-
--APHI
- 3.914750e-1 5.715406e2 1.409425 1.425910e-3 -1.431259e-6 -2.388202e4
\ No newline at end of file
diff --git a/Tests/Data/PhreeqcDatabase/ColdChem.dat b/Tests/Data/PhreeqcDatabase/ColdChem.dat
new file mode 120000
index 00000000000..1b1a69b69ae
--- /dev/null
+++ b/Tests/Data/PhreeqcDatabase/ColdChem.dat
@@ -0,0 +1 @@
+../../../ThirdParty/iphreeqc/src/database/ColdChem.dat
\ No newline at end of file
diff --git a/Tests/Data/PhreeqcDatabase/ReadMe.txt b/Tests/Data/PhreeqcDatabase/ReadMe.txt
index 12178b32f41..7e977284b2f 100644
--- a/Tests/Data/PhreeqcDatabase/ReadMe.txt
+++ b/Tests/Data/PhreeqcDatabase/ReadMe.txt
@@ -1,44 +1,79 @@
-The thermodynamic database files included in this folder source from the download package of IPhreeqc module (iphreeqc-3.5.0-14000) which can be accessed via https://water.usgs.gov/water-resources/software/PHREEQC/iphreeqc-3.5.0-14000.tar.gz
+The thermodynamic database files included in this folder source from the
+download package of IPhreeqc module which is distributed with OpenGeoSys source
+code in the ThirdParty/iphreeqc/src folder.
-Additional information on IPhreeqc module is available on their official website https://www.usgs.gov/software/phreeqc-version-3
+Additional information on IPhreeqc module is available on their official website
+https://www.usgs.gov/software/phreeqc-version-3
-Below are the license and complete software user rights notice of IPhreeqc module Version 3
+Below are the license and complete software user rights notice of IPhreeqc
+module Version 3
-This software is a product of the U.S. Geological Survey, which is part of the U.S. Government.
+This software is a product of the U.S. Geological Survey, which is part of the
+U.S. Government.
Cost
-This software is freely distributed. There is no fee to download and (or) use this software.
+This software is freely distributed. There is no fee to download and (or) use
+this software.
License
-Users do not need a license or permission from the USGS to use this software. Users can download and install as many copies of the software as they need.
+Users do not need a license or permission from the USGS to use this software.
+Users can download and install as many copies of the software as they need.
Public Domain
-As a work of the United States Government, this USGS product is in the public domain within the United States. You can copy, modify, distribute, and perform the work, even for commercial purposes, all without asking permission. Additionally, USGS waives copyright and related rights in the work worldwide through CC0 1.0 Universal Public Domain Dedication (https://creativecommons.org/publicdomain/zero/1.0/ ).
+As a work of the United States Government, this USGS product is in the public
+domain within the United States. You can copy, modify, distribute, and perform
+the work, even for commercial purposes, all without asking permission.
+Additionally, USGS waives copyright and related rights in the work worldwide
+through CC0 1.0 Universal Public Domain Dedication
+(https://creativecommons.org/publicdomain/zero/1.0/ ).
User Rights Notice
-This software and related material (data and (or) documentation), contained in or furnished in connection with PHREEQC, are made available by the U.S. Geological Survey (USGS) to be used in the public interest
-and in the advancement of science. You may, without any fee or cost, use, copy, modify, or distribute this software, and any derivative works thereof, and its supporting documentation, subject to the following
-restrictions and understandings.
-
-If you distribute copies or modifications of the software and related material, make sure the recipients receive a copy of this notice and receive or can get a copy of the original distribution. If the software
-and (or) related material are modified and distributed, it must be made clear that the recipients do not have the original and they must be informed of the extent of the modifications. For example, modified
-files must include a prominent notice stating the modifications made, the author of the modifications, and the date the modifications were made.
-This restriction is necessary to guard against problems introduced in the software by others, reflecting negatively on the reputation of the USGS.
-
-The software is public property and you therefore have the right to the source code, if desired.
-
-You may charge fees for distribution, warranties, and services provided in connection with the software or derivative works thereof. The name USGS can be used in any advertising or publicity to endorse or promote
-any products or commercial entity using this software if specific written permission is obtained from the USGS.
-
-The user agrees to appropriately acknowledge the authors and the USGS in publications that result from the use of this software or in products that include this software in whole or in part.
-
-Although this software program has been used by the U.S. Geological Survey (USGS), no warranty, expressed or implied, is made by the USGS or the U.S. Government as to the accuracy and functioning of the
-program and related program material nor shall the fact of distribution constitute any such warranty, and no responsibility is assumed by the USGS in connection therewith.
-
-The authors, the USGS, and the United States Government are not obligated to provide the user with any support, consulting, training or assistance of any kind with regard to the use, operation, and performance of this software nor to provide the user with any updates, revisions, new versions, or "bug fixes."
-
-The user assumes all risk for any damages whatsoever resulting from loss of use, data, or profits arising in connection with the access, use, quality, or performance of this software.
+This software and related material (data and (or) documentation), contained in
+or furnished in connection with PHREEQC, are made available by the U.S.
+Geological Survey (USGS) to be used in the public interest and in the
+advancement of science. You may, without any fee or cost, use, copy, modify, or
+distribute this software, and any derivative works thereof, and its supporting
+documentation, subject to the following restrictions and understandings.
+
+If you distribute copies or modifications of the software and related material,
+make sure the recipients receive a copy of this notice and receive or can get a
+copy of the original distribution. If the software and (or) related material
+are modified and distributed, it must be made clear that the recipients do not
+have the original and they must be informed of the extent of the modifications.
+For example, modified files must include a prominent notice stating the
+modifications made, the author of the modifications, and the date the
+modifications were made. This restriction is necessary to guard against
+problems introduced in the software by others, reflecting negatively on the
+reputation of the USGS.
+
+The software is public property and you therefore have the right to the source
+code, if desired.
+
+You may charge fees for distribution, warranties, and services provided in
+connection with the software or derivative works thereof. The name USGS can be
+used in any advertising or publicity to endorse or promote any products or
+commercial entity using this software if specific written permission is obtained
+from the USGS.
+
+The user agrees to appropriately acknowledge the authors and the USGS in
+publications that result from the use of this software or in products that
+include this software in whole or in part.
+
+Although this software program has been used by the U.S. Geological Survey
+(USGS), no warranty, expressed or implied, is made by the USGS or the U.S.
+Government as to the accuracy and functioning of the program and related program
+material nor shall the fact of distribution constitute any such warranty, and no
+responsibility is assumed by the USGS in connection therewith.
+
+The authors, the USGS, and the United States Government are not obligated to
+provide the user with any support, consulting, training or assistance of any
+kind with regard to the use, operation, and performance of this software nor to
+provide the user with any updates, revisions, new versions, or "bug fixes."
+
+The user assumes all risk for any damages whatsoever resulting from loss of use,
+data, or profits arising in connection with the access, use, quality, or
+performance of this software.
diff --git a/Tests/Data/PhreeqcDatabase/Tipping_Hurley.dat b/Tests/Data/PhreeqcDatabase/Tipping_Hurley.dat
deleted file mode 100644
index 792e440c442..00000000000
--- a/Tests/Data/PhreeqcDatabase/Tipping_Hurley.dat
+++ /dev/null
@@ -1,4134 +0,0 @@
-# $Id: wateq4f.dat 6895 2012-08-21 18:10:05Z dlpark $
-# Revised arsenic data from Archer and Nordstrom (2002)
-
-SOLUTION_MASTER_SPECIES
-
-Ag Ag+ 0.0 107.868 107.868
-Al Al+3 0.0 26.9815 26.9815
-Alkalinity CO3-2 1.0 50.05 50.05
-As H3AsO4 -1.0 74.9216 74.9216
-As(+3) H3AsO3 0.0 74.9216 74.9216
-As(+5) H3AsO4 -1.0 74.9216
-B H3BO3 0.0 10.81 10.81
-Ba Ba+2 0.0 137.34 137.34
-Br Br- 0.0 79.904 79.904
-C CO3-2 2.0 61.0173 12.0111
-C(+4) CO3-2 2.0 61.0173
-C(-4) CH4 0.0 16.042
-Ca Ca+2 0.0 40.08 40.08
-Cd Cd+2 0.0 112.4 112.4
-Cl Cl- 0.0 35.453 35.453
-Cs Cs+ 0.0 132.905 132.905
-Cu Cu+2 0.0 63.546 63.546
-Cu(+1) Cu+1 0.0 63.546
-Cu(+2) Cu+2 0.0 63.546
-E e- 0.0 0.0 0.0
-F F- 0.0 18.9984 18.9984
-Fe Fe+2 0.0 55.847 55.847
-Fe(+2) Fe+2 0.0 55.847
-Fe(+3) Fe+3 -2.0 55.847
-Fulvate Fulvate-2 0.0 650. 650.
-H H+ -1. 1.008 1.008
-H(0) H2 0.0 1.008
-H(1) H+ -1. 1.008
-Humate Humate-2 0.0 2000. 2000.
-I I- 0.0 126.9044 126.9044
-K K+ 0.0 39.102 39.102
-Li Li+ 0.0 6.939 6.939
-Mg Mg+2 0.0 24.312 24.312
-Mn Mn+2 0.0 54.938 54.938
-Mn(2) Mn+2 0.0 54.938
-Mn(3) Mn+3 0.0 54.938
-Mn(6) MnO4-2 0.0 54.938
-Mn(7) MnO4- 0.0 54.938
-N NO3- 0.0 14.0067 14.0067
-N(-3) NH4+ 0.0 14.0067
-N(0) N2 0.0 14.0067
-N(+3) NO2- 0.0 14.0067
-N(+5) NO3- 0.0 14.0067
-Na Na+ 0.0 22.9898 22.9898
-Ni Ni+2 0.0 58.71 58.71
-O H2O 0.0 16.00 16.00
-O(-2) H2O 0.0 18.016
-O(0) O2 0.0 16.00
-P PO4-3 2.0 30.9738 30.9738
-Pb Pb+2 0.0 207.19 207.19
-Rb Rb+ 0.0 85.47 85.47
-S SO4-2 0.0 96.0616 32.064
-S(-2) H2S 0.0 32.064
-S(6) SO4-2 0.0 96.0616
-Se SeO4-2 0.0 78.96 78.96
-Se(-2) HSe- 0.0 78.96
-Se(4) SeO3-2 0.0 78.96
-Se(6) SeO4-2 0.0 78.96
-Si H4SiO4 0.0 60.0843 28.0843
-Sr Sr+2 0.0 87.62 87.62
-Zn Zn+2 0.0 65.37 65.37
-U UO2+2 0.0 238.0290 238.0290
-U(3) U+3 0.0 238.0290 238.0290
-U(4) U+4 0.0 238.0290 238.0290
-U(5) UO2+ 0.0 238.0290 238.0290
-U(6) UO2+2 0.0 238.0290 238.0290
-
-SOLUTION_SPECIES
-
-#H+ primary master species
- H+ = H+
- log_k 0.0
- -gamma 9.0 0.0
-
-#e- primary master species
- e- = e-
- log_k 0.0
-
-#H2O primary master species
- H2O = H2O
- log_k 0.0
-
-#Ag+ primary master species
- Ag+ = Ag+
- log_k 0.0
-
-#Al+3 primary master species
- Al+3 = Al+3
- log_k 0.0
- -gamma 9.0 0.0
-
-#H3AsO4 primary master species
- H3AsO4 = H3AsO4
- log_k 0.0
-
-#H3BO3 primary master species
- H3BO3 = H3BO3
- log_k 0.0
-
-#Ba+2 primary master species
- Ba+2 = Ba+2
- log_k 0.0
- -gamma 5.0 0.0
-
-#Br- primary master species
- Br- = Br-
- log_k 0.0
-
-#CO3-2 primary master species
- CO3-2 = CO3-2
- log_k 0.0
- -gamma 5.4 0.0
-
-#Ca+2 primary master species
- Ca+2 = Ca+2
- log_k 0.0
- -gamma 5.0 0.165
-
-#Cd+2 primary master species
- Cd+2 = Cd+2
- log_k 0.0
-
-#Cl- primary master species
- Cl- = Cl-
- log_k 0.0
- -gamma 3.5 0.015
-
-#Cs+ primary master species
- Cs+ = Cs+
- log_k 0.0
-
-#Cu+2 primary master species
- Cu+2 = Cu+2
- log_k 0.0
- -gamma 6.0 0.0
-
-#F- primary master species
- F- = F-
- log_k 0.0
- -gamma 3.5 0.0
-
-#Fe+2 primary master species
- Fe+2 = Fe+2
- log_k 0.0
- -gamma 6.0 0.0
-
-#Fulvate-2 primary master species
- Fulvate-2 = Fulvate-2
- log_k 0.0
-
-#Humate-2 primary master species
- Humate-2 = Humate-2
- log_k 0.0
-
-#I- primary master species
- I- = I-
- log_k 0.0
-
-#K+ primary master species
- K+ = K+
- log_k 0.0
- -gamma 3.5 0.015
-
-#Li+ primary master species
- Li+ = Li+
- log_k 0.0
- -gamma 6.0 0.0
-
-#Mg+2 primary master species
- Mg+2 = Mg+2
- log_k 0.0
- -gamma 5.5 0.200
-
-#Mn+2 primary master species
- Mn+2 = Mn+2
- log_k 0.0
- -gamma 6.0 0.0
-
-#NO3- primary master species
- NO3- = NO3-
- log_k 0.0
- -gamma 3.0 0.0
-
-#Na+ primary master species
- Na+ = Na+
- log_k 0.0
- -gamma 4.0 0.075
-
-#Ni+2 primary master species
- Ni+2 = Ni+2
- log_k 0.0
-
-#PO4-3 primary master species
- PO4-3 = PO4-3
- log_k 0.0
- -gamma 5.0 0.0
-
-#Pb+2 primary master species
- Pb+2 = Pb+2
- log_k 0.0
-
-#Rb+ primary master species
- Rb+ = Rb+
- log_k 0.0
-
-#SO4-2 primary master species
- SO4-2 = SO4-2
- log_k 0.0
- -gamma 5.0 -0.040
-
-#SeO4-2 primary master species
- SeO4-2 = SeO4-2
- log_k 0.0
-
-#H4SiO4 primary master species
- H4SiO4 = H4SiO4
- log_k 0.0
-
-#Sr+2 primary master species
- Sr+2 = Sr+2
- log_k 0.0
- -gamma 5.26 0.121
-
-#UO2+2 primary master species
- UO2+2 = UO2+2
- log_k 0.0
-
-#Zn+2 primary master species
- Zn+2 = Zn+2
- log_k 0.0
- -gamma 6.0 0.0
-
-#Fe+3 secondary master species 0
- Fe+2 = Fe+3 + e-
- log_k -13.020
- delta_h 9.680 kcal
- -gamma 9.0 0.0
-
-#FeOH+2 1
- Fe+3 + H2O = FeOH+2 + H+
- log_k -2.19
- delta_h 10.4 kcal
- -gamma 5.0 0.0
-
-#FeOH+ 2
- Fe+2 + H2O = FeOH+ + H+
- log_k -9.5
- delta_h 13.2 kcal
- -gamma 5.0 0.0
-
-#Fe(OH)3- 3
- Fe+2 + 3H2O = Fe(OH)3- + 3H+
- log_k -31.0
- delta_h 30.3 kcal
- -gamma 5.0 0.0
-
-#FeSO4+ 4
- Fe+3 + SO4-2 = FeSO4+
- log_k 4.04
- delta_h 3.91 kcal
- -gamma 5.0 0.0
-
-#FeCl+2 5
- Fe+3 + Cl- = FeCl+2
- log_k 1.48
- delta_h 5.6 kcal
- -gamma 5.0 0.0
-
-#FeCl2+ 6
- Fe+3 + 2Cl- = FeCl2+
- log_k 2.13
-
-#FeCl3 7
- Fe+3 + 3Cl- = FeCl3
- log_k 1.13
-
-#FeSO4 8
- Fe+2 + SO4-2 = FeSO4
- log_k 2.25
- delta_h 3.23 kcal
-
-#H3SiO4- 13
- H4SiO4 = H3SiO4- + H+
- log_k -9.83
- delta_h 6.12 kcal
- -analytical -302.3724 -0.050698 15669.69 108.18466 -1119669.0
- -gamma 4.0 0.0
-
-#H2SiO4-2 14
- H4SiO4 = H2SiO4-2 + 2H+
- log_k -23.0
- delta_h 17.6 kcal
- -analytical -294.0184 -0.07265 11204.49 108.18466 -1119669.0
- -gamma 5.4 0.0
-
-#HPO4-2 15
- H+ + PO4-3 = HPO4-2
- log_k 12.346
- delta_h -3.53 kcal
- -gamma 5.0 0.0
-
-#H2PO4- 16
- 2H+ + PO4-3 = H2PO4-
- log_k 19.553
- delta_h -4.52 kcal
- -gamma 5.4 0.0
-
-#MgF+ 22
- Mg+2 + F- = MgF+
- log_k 1.82
- delta_h 3.2 kcal
- -gamma 4.5 0.0
-
-#CaSO4 23
- Ca+2 + SO4-2 = CaSO4
- log_k 2.3
- delta_h 1.65 kcal
-
-#MgOH+ 24
- Mg+2 + H2O = MgOH+ + H+
- log_k -11.44
- delta_h 15.952 kcal
- -gamma 6.5 0.0
-
-#H3BO3 25
- H3BO3 = H2BO3- + H+
- log_k -9.24
- delta_h 3.224 kcal
-# -analytical 24.3919 0.012078 -1343.9 -13.2258
- -gamma 2.5 0.0
-
-#NH3 26
- NH4+ = NH3 + H+
- log_k -9.252
- delta_h 12.48 kcal
- -analytic 0.6322 -0.001225 -2835.76
- -gamma 2.5 0.0
-
-#NaHPO4- 30
- Na+ + HPO4-2 = NaHPO4-
- log_k 0.29
- -gamma 5.4 0.0
-
-#KHPO4- 32
- K+ + HPO4-2 = KHPO4-
- log_k 0.29
- -gamma 5.4 0.0
-
-#MgHPO4 33
- Mg+2 + HPO4-2 = MgHPO4
- log_k 2.87
- delta_h 3.3 kcal
-
-#CaHPO4 34
- Ca+2 + HPO4-2 = CaHPO4
- log_k 2.739
- delta_h 3.3 kcal
-
-#CH4 secondary master species
- CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O
- log_k 41.071
- delta_h -61.039 kcal
-
-#H2CO3 35
-# HCO3- + H+ = H2CO3
-# log_k 6.351
-# delta_h -2.247 kcal
-# -analytical 356.3094 0.06091960 -21834.37 -126.8339 1684915.0
-
-#CO2 could be used instead of H2CO3
- CO3-2 + 2 H+ = CO2 + H2O
- log_k 16.681
- delta_h -5.738 kcal
- -analytical 464.1965 0.09344813 -26986.16 -165.75951 2248628.9
-
-#HCO3- 68
- H+ + CO3-2 = HCO3-
- log_k 10.329
- delta_h -3.561 kcal
- -analytical 107.8871 0.03252849 -5151.79 -38.92561 563713.9
- -gamma 5.4 0.0
-
-#NaCO3- 69
- Na+ + CO3-2 = NaCO3-
- log_k 1.27
- delta_h 8.91 kcal
- -gamma 5.4 0.0
-
-#NaHCO3 70
- Na+ + HCO3- = NaHCO3
- log_k -0.25
-
-#NaSO4- 71
- Na+ + SO4-2 = NaSO4-
- log_k 0.7
- delta_h 1.12 kcal
- -gamma 5.4 0.0
-
-#KSO4- 72
- K+ + SO4-2 = KSO4-
- log_k 0.85
- delta_h 2.25 kcal
- -analytical 3.106 0.0 -673.6
- -gamma 5.4 0.0
-
-#MgCO3 73
- Mg+2 + CO3-2 = MgCO3
- log_k 2.98
- delta_h 2.713 kcal
- -analytical 0.9910 0.00667
-
-#MgHCO3+ 74
- Mg+2 + HCO3- = MgHCO3+
- log_k 1.07
- delta_h 0.79 kcal
- -analytical -59.215 0.0 2537.455 20.92298 0.0
- -gamma 4.0 0.0
-
-#MgSO4 75
- Mg+2 + SO4-2 = MgSO4
- log_k 2.37
- delta_h 4.55 kcal
-
-#CaOH+ 76
- Ca+2 + H2O = CaOH+ + H+
- log_k -12.78
- -gamma 6.0 0.0
-
-#CaHCO3+ 77
- Ca+2 + HCO3- = CaHCO3+
- log_k 1.106
- delta_h 2.69 kcal
- -analytical 1209.12 0.31294 -34765.05 -478.782 0.0
- -gamma 6.0 0.0
-
-#CaCO3 78
- Ca+2 + CO3-2 = CaCO3
- log_k 3.224
- delta_h 3.545 kcal
- -analytical -1228.732 -0.299444 35512.75 485.818 0.0
-
-#SrHCO3+ 79
- Sr+2 + HCO3- = SrHCO3+
- log_k 1.18
- delta_h 6.05 kcal
- -analytical -3.248 0.014867 0.0 0.0 0.0
- -gamma 5.4 0.0
-
-#AlOH+2 80
- Al+3 + H2O = AlOH+2 + H+
- log_k -5.0
- delta_h 11.49 kcal
- -analytical -38.253 0.0 -656.27 14.327 0.0
- -gamma 5.4 0.0
-
-#Al(OH)2+ 81
- Al+3 + 2H2O = Al(OH)2+ + 2H+
- log_k -10.1
- delta_h 26.9 kcal
- -analytical 88.5 0.0 -9391.6 -27.121 0.0
- -gamma 5.4 0.0
-
-#Al(OH)3 336
- Al+3 + 3H2O = Al(OH)3 + 3H+
- log_k -16.9
- delta_h 39.89 kcal
- -analytical 226.374 0.0 -18247.8 -73.597 0.0
-
-#Al(OH)4- 82
- Al+3 + 4H2O = Al(OH)4- + 4H+
- log_k -22.7
- delta_h 42.3 kcal
- -analytical 51.578 0.0 -11168.9 -14.865 0.0
- -gamma 4.5 0.0
-
-#AlF+2 83
- Al+3 + F- = AlF+2
- log_k 7.0
- delta_h 1.06 kcal
- -gamma 5.4 0.0
-
-#AlF2+ 84
- Al+3 + 2F- = AlF2+
- log_k 12.7
- delta_h 1.98 kcal
- -gamma 5.4 0.0
-
-#AlF3 85
- Al+3 + 3F- = AlF3
- log_k 16.8
- delta_h 2.16 kcal
-
-#AlF4- 86
- Al+3 + 4F- = AlF4-
- log_k 19.4
- delta_h 2.2 kcal
- -gamma 4.5 0.0
-
-#AlSO4+ 87
- Al+3 + SO4-2 = AlSO4+
- log_k 3.5
- delta_h 2.29 kcal
- -gamma 4.5 0.0
-
-#Al(SO4)2- 88
- Al+3 + 2SO4-2 = Al(SO4)2-
- log_k 5.0
- delta_h 3.11 kcal
- -gamma 4.5 0.0
-
-#HSO4- 89
- H+ + SO4-2 = HSO4-
- log_k 1.988
- delta_h 3.85 kcal
- -analytical -56.889 0.006473 2307.9 19.8858 0.0
- -gamma 4.5 0.0
-
-#H2S secondary master species 90
- SO4-2 + 10H+ + 8e- = H2S + 4H2O
- log_k 40.644
- delta_h -65.44 kcal
-
-#HS- 91
- H2S = HS- + H+
- log_k -6.994
- delta_h 5.3 kcal
- -analytical 11.17 -0.02386 -3279.0
- -gamma 3.5 0.0
-
-#S-2 92
- HS- = S-2 + H+
- log_k -12.918
- delta_h 12.1 kcal
- -gamma 5.0 0.0
-
-#oxy 93
-# 0.5H2O = 0.25O2 + H+ + e-
-# log_k -20.780
-# delta_h 34.157000 kcal
-
-#O2 secondary master species
- 2H2O = O2 + 4H+ + 4e-
- log_k -86.08
- delta_h 134.79 kcal
-
-#H2 secondary master species
- 2 H+ + 2 e- = H2
- log_k -3.15
- delta_h -1.759 kcal
-
-#Fe(OH)2+ 102
- Fe+3 + 2H2O = Fe(OH)2+ + 2H+
- log_k -5.67
- delta_h 17.1 kcal
- -gamma 5.4 0.0
-
-#Fe(OH)3 103
- Fe+3 + 3H2O = Fe(OH)3 + 3H+
- log_k -12.56
- delta_h 24.8 kcal
-
-#Fe(OH)4- 104
- Fe+3 + 4H2O = Fe(OH)4- + 4H+
- log_k -21.6
- delta_h 31.9 kcal
- -gamma 5.4 0.0
-
-#Fe(OH)2 105
- Fe+2 + 2H2O = Fe(OH)2 + 2H+
- log_k -20.57
- delta_h 28.565 kcal
-
-#FeH2PO4+ 120
- Fe+2 + H2PO4- = FeH2PO4+
- log_k 2.7
- -gamma 5.4 0.0
-
-#CaPO4- 121
- Ca+2 + PO4-3 = CaPO4-
- log_k 6.459
- delta_h 3.1 kcal
- -gamma 5.4 0.0
-
-#CaH2PO4+ 122
- Ca+2 + H2PO4- = CaH2PO4+
- log_k 1.408
- delta_h 3.4 kcal
- -gamma 5.4 0.0
-
-#MgPO4- 123
- Mg+2 + PO4-3 = MgPO4-
- log_k 6.589
- delta_h 3.1 kcal
- -gamma 5.4 0.0
-
-#MgH2PO4+ 124
- Mg+2 + H2PO4- = MgH2PO4+
- log_k 1.513
- delta_h 3.4 kcal
- -gamma 5.4 0.0
-
-#LiSO4- 126
- Li+ + SO4-2 = LiSO4-
- log_k 0.64
- -gamma 5.0 0.0
-
-#N2 secondary master species
- 2 NO3- + 12 H+ + 10 e- = N2 + 6 H2O
- log_k 207.080
- delta_h -312.130 kcal
-
-#NH4 secondary master species 127
- NO3- + 10H+ + 8e- = NH4+ + 3H2O
- log_k 119.077
- delta_h -187.055 kcal
-
-#SrOH+ 129
- Sr+2 + H2O = SrOH+ + H+
- log_k -13.29
- -gamma 5.0 0.0
-
-#BaOH+ 130
- Ba+2 + H2O = BaOH+ + H+
- log_k -13.47
- -gamma 5.0 0.0
-
-#NH4SO4- 131
- NH4+ + SO4-2 = NH4SO4-
- log_k 1.11
- -gamma 5.0 0.0
-
-#SrCO3 135
- Sr+2 + CO3-2 = SrCO3
- log_k 2.81
- delta_h 5.22 kcal
- -analytical -1.019 0.012826 0.0 0.0 0.0
- -gamma 5.0 0.0
-
-#O2Sato 136
-# 0.5H2O = 0.25O2(aq) + H+ + e-
-# log_k -11.385
-
-#CO2 137
-# CO2 (g) + H2O = H2CO3
-# -1.468 -4.776 108.38650 0.01985076 -6919.530 -40.45154 -669365.0
-
-#FeHPO4 138
- Fe+2 + HPO4-2 = FeHPO4
- log_k 3.6
-
-#FeHPO4+ 139
- Fe+3 + HPO4-2 = FeHPO4+
- log_k 5.43
- delta_h 5.76 kcal
- -gamma 5.5 0.0
-
-#FeHSO4+ 148
- Fe+2 + HSO4- = FeHSO4+
- log_k 1.08
-
-#O2calc 151
-# 0.5H2O = 0.25O2(aq) + H+ + e-
-# log_k -20.780
-# delta_h 33.457 kcal
-
-#OH- 152
- H2O = OH- + H+
- log_k -14.0
- delta_h 13.362 kcal
- -analytical -283.971 -0.05069842 13323.0 102.24447 -1119669.0
- -gamma 3.5 0.0
-
-#FeH2PO4+2 156
- Fe+3 + H2PO4- = FeH2PO4+2
- log_k 5.43
- -gamma 5.4 0.0
-
-#FeHSO4+2 159
- Fe+3 + HSO4- = FeHSO4+2
- log_k 2.48
-
-#CaF+ 160
- Ca+2 + F- = CaF+
- log_k 0.94
- delta_h 4.12 kcal
- -gamma 5.5 0.0
-
-#BF(OH)3- 161
- H3BO3 + F- = BF(OH)3-
- log_k -0.4
- delta_h 1.85 kcal
- -gamma 2.5 0.0
-
-#BF2(OH)2- 162
- H3BO3 + H+ + 2F- = BF2(OH)2- + H2O
- log_k 7.63
- delta_h 1.618 kcal
- -gamma 2.5 0.0
-
-#BF3OH- 163
- H3BO3 + 2H+ + 3F- = BF3OH- + 2H2O
- log_k 13.67
- delta_h -1.614 kcal
- -gamma 2.5 0.0
-
-#BF4- 164
- H3BO3 + 3H+ + 4F- = BF4- + 3H2O
- log_k 20.28
- delta_h -1.846 kcal
- -gamma 2.5 0.0
-
-#FeF+2 165
- Fe+3 + F- = FeF+2
- log_k 6.2
- delta_h 2.7 kcal
- -gamma 5.0 0.0
-
-#FeF2+ 166
- Fe+3 + 2F- = FeF2+
- log_k 10.8
- delta_h 4.8 kcal
- -gamma 5.0 0.0
-
-#FeF3 167
- Fe+3 + 3F- = FeF3
- log_k 14.0
- delta_h 5.4 kcal
-
-#CaHSO4+ 168
- Ca+2 + HSO4- = CaHSO4+
- log_k 1.08
-
-#Mn+3 secondary master species 169
- Mn+2 = Mn+3 + e-
- log_k -25.51
- delta_h 25.8 kcal
- -gamma 9.0 0.0
-
-#MnCl+ 170
- Mn+2 + Cl- = MnCl+
- log_k 0.61
- -gamma 5.0 0.0
-
-#MnCl2 171
- Mn+2 + 2Cl- = MnCl2
- log_k 0.25
-
-#MnCl3- 172
- Mn+2 + 3Cl- = MnCl3-
- log_k -0.31
- -gamma 5.0 0.0
-
-#MnOH+ 173
- Mn+2 + H2O = MnOH+ + H+
- log_k -10.59
- delta_h 14.4 kcal
- -gamma 5.0 0.0
-
-#Mn(OH)3- 174
- Mn+2 + 3H2O = Mn(OH)3- + 3H+
- log_k -34.8
- -gamma 5.0 0.0
-
-#MnF+ 175
- Mn+2 + F- = MnF+
- log_k 0.84
- -gamma 5.0 0.0
-
-#MnSO4 176
- Mn+2 + SO4-2 = MnSO4
- log_k 2.25
- delta_h 3.37 kcal
-
-#Mn(NO3)2 177
- Mn+2 + 2NO3- = Mn(NO3)2
- log_k 0.6
- delta_h -0.396 kcal
-
-#MnHCO3+ 178
- Mn+2 + HCO3- = MnHCO3+
- log_k 1.95
- -gamma 5.0 0.0
-
-#MnO4- secondary master species 179
- Mn+2 + 4H2O = MnO4- + 8H+ + 5e-
- log_k -127.824
- delta_h 176.62 kcal
- -gamma 3.0 0.0
-
-#MnO4-2 secondary master species 180
- Mn+2 + 4H2O = MnO4-2 + 8H+ + 4e-
- log_k -118.44
- delta_h 150.02 kcal
- -gamma 5.0 0.0
-
-#SiF6-2 201
- H4SiO4 + 4H+ + 6F- = SiF6-2 + 4H2O
- log_k 30.18
- delta_h -16.26 kcal
- -gamma 5.0 0.0
-
-#HF 202
- H+ + F- = HF
- log_k 3.18
- delta_h 3.18 kcal
- -analytical -2.033 0.012645 429.01 0.0 0.0
-
-#HF2- 203
- H+ + 2F- = HF2-
- log_k 3.76
- delta_h 4.55 kcal
- -gamma 3.5 0.0
-
-#CuCl2- 206
-# Cu+2 + 2Cl- + e- = CuCl2-
-# log_k 8.220
-# delta_h 1.230 kcal
- Cu+ + 2Cl- = CuCl2-
- log_k 5.50
- delta_h -0.42 kcal
- -gamma 4.0 0.0
-
-#CuCl3-2 207
-# Cu+2 + 3Cl- + e- = CuCl3-2
-# log_k 8.420
-# delta_h 1.910 kcal
- Cu+ + 3Cl- = CuCl3-2
- log_k 5.70
- delta_h 0.26 kcal
- -gamma 5.0 0.0
-
-#Cu+ secondary master species 208
- Cu+2 + e- = Cu+
- log_k 2.72
- delta_h 1.65 kcal
- -gamma 2.5 0.0
-
-#CuCO3 209
- Cu+2 + CO3-2 = CuCO3
- log_k 6.73
-
-#Cu(CO3)2-2 210
- Cu+2 + 2CO3-2 = Cu(CO3)2-2
- log_k 9.83
-
-#CuCl+ 211
- Cu+2 + Cl- = CuCl+
- log_k 0.43
- delta_h 8.65 kcal
- -gamma 4.0 0.0
-
-#CuCl2 212
- Cu+2 + 2Cl- = CuCl2
- log_k 0.16
- delta_h 10.56 kcal
-
-#CuCl3- 213
- Cu+2 + 3Cl- = CuCl3-
- log_k -2.29
- delta_h 13.69 kcal
- -gamma 4.0 0.0
-
-#CuCl4-2 214
- Cu+2 + 4Cl- = CuCl4-2
- log_k -4.59
- delta_h 17.78 kcal
- -gamma 5.0 0.0
-
-#CuF+ 215
- Cu+2 + F- = CuF+
- log_k 1.26
- delta_h 1.62 kcal
-
-#CuOH+ 216
- Cu+2 + H2O = CuOH+ + H+
- log_k -8.0
- -gamma 4.0 0.0
-
-#Cu(OH)2 217
- Cu+2 + 2H2O = Cu(OH)2 + 2H+
- log_k -13.68
-
-#Cu(OH)3- 218
- Cu+2 + 3H2O = Cu(OH)3- + 3H+
- log_k -26.9
-
-#Cu(OH)4-2 219
- Cu+2 + 4H2O = Cu(OH)4-2 + 4H+
- log_k -39.6
-
-#Cu2(OH)2+2 220
- 2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+
- log_k -10.359
- delta_h 17.539 kcal
- -analytical 2.497 0.0 -3833.0 0.0 0.0
-
-#CuSO4 221
- Cu+2 + SO4-2 = CuSO4
- log_k 2.31
- delta_h 1.22 kcal
-
-#Cu(HS)3- 222
- Cu+2 + 3HS- = Cu(HS)3-
- log_k 25.9
-
-#ZnCl+ 251
- Zn+2 + Cl- = ZnCl+
- log_k 0.43
- delta_h 7.79 kcal
- -gamma 4.0 0.0
-
-#ZnCl2 252
- Zn+2 + 2Cl- = ZnCl2
- log_k 0.45
- delta_h 8.5 kcal
-
-#ZnCl3- 253
- Zn+2 + 3Cl- = ZnCl3-
- log_k 0.5
- delta_h 9.56 kcal
- -gamma 4.0 0.0
-
-#ZnCl4-2 254
- Zn+2 + 4Cl- = ZnCl4-2
- log_k 0.2
- delta_h 10.96 kcal
- -gamma 5.0 0.0
-
-#ZnF+ 255
- Zn+2 + F- = ZnF+
- log_k 1.15
- delta_h 2.22 kcal
-
-#ZnOH+ 256
- Zn+2 + H2O = ZnOH+ + H+
- log_k -8.96
- delta_h 13.4 kcal
-
-#Zn(OH)2 257
- Zn+2 + 2H2O = Zn(OH)2 + 2H+
- log_k -16.9
-
-#Zn(OH)3- 258
- Zn+2 + 3H2O = Zn(OH)3- + 3H+
- log_k -28.4
-
-#Zn(OH)4-2 259
- Zn+2 + 4H2O = Zn(OH)4-2 + 4H+
- log_k -41.2
-
-#ZnOHCl 260
- Zn+2 + H2O + Cl- = ZnOHCl + H+
- log_k -7.48
-
-#Zn(HS)2 261
- Zn+2 + 2HS- = Zn(HS)2
- log_k 14.94
-
-#Zn(HS)3- 262
- Zn+2 + 3HS- = Zn(HS)3-
- log_k 16.1
-
-#ZnSO4 263
- Zn+2 + SO4-2 = ZnSO4
- log_k 2.37
- delta_h 1.36 kcal
-
-#Zn(SO4)2-2 264
- Zn+2 + 2SO4-2 = Zn(SO4)2-2
- log_k 3.28
-
-#CdCl+ 294
- Cd+2 + Cl- = CdCl+
- log_k 1.98
- delta_h 0.59 kcal
-
-#CdCl2 295
- Cd+2 + 2Cl- = CdCl2
- log_k 2.6
- delta_h 1.24 kcal
-
-#CdCl3- 296
- Cd+2 + 3Cl- = CdCl3-
- log_k 2.4
- delta_h 3.9 kcal
-
-#CdF+ 297
- Cd+2 + F- = CdF+
- log_k 1.1
-
-#CdF2 298
- Cd+2 + 2F- = CdF2
- log_k 1.5
-
-#Cd(CO3)2-2 299
- Cd+2 + 2CO3-2 = Cd(CO3)2-2
- log_k 6.4
-
-#CdOH+ 300
- Cd+2 + H2O = CdOH+ + H+
- log_k -10.08
- delta_h 13.1 kcal
-
-#Cd(OH)2 301
- Cd+2 + 2H2O = Cd(OH)2 + 2H+
- log_k -20.35
-
-#Cd(OH)3- 302
- Cd+2 + 3H2O = Cd(OH)3- + 3H+
- log_k -33.3
-
-#Cd(OH)4-2 303
- Cd+2 + 4H2O = Cd(OH)4-2 + 4H+
- log_k -47.35
-
-#Cd2OH+3 304
- 2Cd+2 + H2O = Cd2OH+3 + H+
- log_k -9.39
- delta_h 10.9 kcal
-
-#CdOHCl 305
- Cd+2 + H2O + Cl- = CdOHCl + H+
- log_k -7.404
- delta_h 4.355 kcal
-
-#CdNO3+ 306
- Cd+2 + NO3- = CdNO3+
- log_k 0.4
- delta_h -5.2 kcal
-
-#CdSO4 307
- Cd+2 + SO4-2 = CdSO4
- log_k 2.46
- delta_h 1.08 kcal
-
-#CdHS+ 308
- Cd+2 + HS- = CdHS+
- log_k 10.17
-
-#Cd(HS)2 309
- Cd+2 + 2HS- = Cd(HS)2
- log_k 16.53
-
-#Cd(HS)3- 310
- Cd+2 + 3HS- = Cd(HS)3-
- log_k 18.71
-
-#Cd(HS)4-2 311
- Cd+2 + 4HS- = Cd(HS)4-2
- log_k 20.9
-
-#Fe(SO4)2- 333
- Fe+3 + 2SO4-2 = Fe(SO4)2-
- log_k 5.38
- delta_h 4.6 kcal
-
-#Fe2(OH)2+4 334
- 2Fe+3 + 2H2O = Fe2(OH)2+4 + 2H+
- log_k -2.95
- delta_h 13.5 kcal
-
-#Fe3(OH)4+5 335
- 3Fe+3 + 4H2O = Fe3(OH)4+5 + 4H+
- log_k -6.3
- delta_h 14.3 kcal
-
-#PbCl+ 341
- Pb+2 + Cl- = PbCl+
- log_k 1.6
- delta_h 4.38 kcal
-
-#PbCl2 342
- Pb+2 + 2Cl- = PbCl2
- log_k 1.8
- delta_h 1.08 kcal
-
-#PbCl3- 343
- Pb+2 + 3Cl- = PbCl3-
- log_k 1.7
- delta_h 2.17 kcal
-
-#PbCl4-2 344
- Pb+2 + 4Cl- = PbCl4-2
- log_k 1.38
- delta_h 3.53 kcal
-
-#Pb(CO3)2-2 345
- Pb+2 + 2CO3-2 = Pb(CO3)2-2
- log_k 10.64
-
-#PbF+ 346
- Pb+2 + F- = PbF+
- log_k 1.25
-
-#PbF2 347
- Pb+2 + 2F- = PbF2
- log_k 2.56
-
-#PbF3- 348
- Pb+2 + 3F- = PbF3-
- log_k 3.42
-
-#PbF4-2 349
- Pb+2 + 4F- = PbF4-2
- log_k 3.1
-
-#PbOH+ 350
- Pb+2 + H2O = PbOH+ + H+
- log_k -7.71
-
-#Pb(OH)2 351
- Pb+2 + 2H2O = Pb(OH)2 + 2H+
- log_k -17.12
-
-#Pb(OH)3- 352
- Pb+2 + 3H2O = Pb(OH)3- + 3H+
- log_k -28.06
-
-#Pb2OH+3 353
- 2Pb+2 + H2O = Pb2OH+3 + H+
- log_k -6.36
-
-#PbNO3+ 354
- Pb+2 + NO3- = PbNO3+
- log_k 1.17
-
-#PbSO4 355
- Pb+2 + SO4-2 = PbSO4
- log_k 2.75
-
-#Pb(HS)2 356
- Pb+2 + 2HS- = Pb(HS)2
- log_k 15.27
-
-#Pb(HS)3- 357
- Pb+2 + 3HS- = Pb(HS)3-
- log_k 16.57
-
-#Pb3(OH)4+2 358
- 3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+
- log_k -23.88
- delta_h 26.5 kcal
-
-#FeF+ 359
- Fe+2 + F- = FeF+
- log_k 1.0
-
-#AlHSO4+2 397
- Al+3 + HSO4- = AlHSO4+2
- log_k 0.46
-
-#NO2 secondary master species 400
- NO3- + 2H+ + 2e- = NO2- + H2O
- log_k 28.57
- delta_h -43.76 kcal
-
-#NiBr+ 403
- Ni+2 + Br- = NiBr+
- log_k 0.5
-
-#NiCl+ 404
- Ni+2 + Cl- = NiCl+
- log_k 0.4
-
-#NiF+ 405
- Ni+2 + F- = NiF+
- log_k 1.3
-
-#NiOH+ 406
- Ni+2 + H2O = NiOH+ + H+
- log_k -9.86
- delta_h 12.42 kcal
-
-#Ni(OH)2 407
- Ni+2 + 2H2O = Ni(OH)2 + 2H+
- log_k -19.0
-
-#Ni(OH)3- 408
- Ni+2 + 3H2O = Ni(OH)3- + 3H+
- log_k -30.0
-
-#NiSO4 409
- Ni+2 + SO4-2 = NiSO4
- log_k 2.29
- delta_h 1.52 kcal
-
-#AgBr 421
- Ag+ + Br- = AgBr
- log_k 4.24
-
-#AgBr2- 422
- Ag+ + 2Br- = AgBr2-
- log_k 7.28
-
-#AgCl 423
- Ag+ + Cl- = AgCl
- log_k 3.27
- delta_h -2.68 kcal
-
-#AgCl2- 424
- Ag+ + 2Cl- = AgCl2-
- log_k 5.27
- delta_h -3.93 kcal
-
-#AgCl3-2 425
- Ag+ + 3Cl- = AgCl3-2
- log_k 5.29
-
-#AgCl4-3 426
- Ag+ + 4Cl- = AgCl4-3
- log_k 5.51
-
-#AgF 427
- Ag+ + F- = AgF
- log_k 0.36
- delta_h -2.83 kcal
-
-#AgHS 428
- Ag+ + HS- = AgHS
- log_k 14.05
-
-#Ag(HS)2- 429
- Ag+ + 2HS- = Ag(HS)2-
- log_k 18.45
-
-#AgI 430
- Ag+ + I- = AgI
- log_k 6.6
-
-#AgI2- 431
- Ag+ + 2I- = AgI2-
- log_k 10.68
-
-#AgOH 432
- Ag+ + H2O = AgOH + H+
- log_k -12.0
-
-#Ag(OH)2- 433
- Ag+ + 2H2O = Ag(OH)2- + 2H+
- log_k -24.0
-
-#AgSO4- 434
- Ag+ + SO4-2 = AgSO4-
- log_k 1.29
- delta_h 1.49 kcal
-
-#AgNO3 435
- Ag+ + NO3- = AgNO3
- log_k -0.29
-
-#Ag(NO2)2- 436
- Ag+ + 2NO2- = Ag(NO2)2-
- log_k 2.22
-
-#ZnBr+ 447
- Zn+2 + Br- = ZnBr+
- log_k -0.58
-
-#ZnBr2 448
- Zn+2 + 2Br- = ZnBr2
- log_k -0.98
-
-#ZnI+ 449
- Zn+2 + I- = ZnI+
- log_k -2.91
-
-#ZnI2 450
- Zn+2 + 2I- = ZnI2
- log_k -1.69
-
-#CdBr+ 451
- Cd+2 + Br- = CdBr+
- log_k 2.17
- delta_h -0.81 kcal
-
-#CdBr2 452
- Cd+2 + 2Br- = CdBr2
- log_k 2.9
-
-#CdI+ 453
- Cd+2 + I- = CdI+
- log_k 2.15
- delta_h -2.37 kcal
-
-#CdI2 454
- Cd+2 + 2I- = CdI2
- log_k 3.59
-
-#PbBr+ 455
- Pb+2 + Br- = PbBr+
- log_k 1.77
- delta_h 2.88 kcal
-
-#PbBr2 456
- Pb+2 + 2Br- = PbBr2
- log_k 1.44
-
-#PbI+ 457
- Pb+2 + I- = PbI+
- log_k 1.94
-
-#PbI2 458
- Pb+2 + 2I- = PbI2
- log_k 3.2
-
-#PbCO3 468
- Pb+2 + CO3-2 = PbCO3
- log_k 7.24
-
-#Pb(OH)4-2 469
- Pb+2 + 4H2O = Pb(OH)4-2 + 4H+
- log_k -39.7
-
-#Pb(SO4)2-2 470
- Pb+2 + 2SO4-2 = Pb(SO4)2-2
- log_k 3.47
-
-#AgBr3-2 473
- Ag+ + 3Br- = AgBr3-2
- log_k 8.71
-
-#AgI3-2 474
- Ag+ + 3I- = AgI3-2
- log_k 13.37
- delta_h -27.03 kcal
-
-#AgI4-3 475
- Ag+ + 4I- = AgI4-3
- log_k 14.08
-
-#Fe(HS)2 476
- Fe+2 + 2HS- = Fe(HS)2
- log_k 8.95
-
-#Fe(HS)3- 477
- Fe+2 + 3HS- = Fe(HS)3-
- log_k 10.987
-
-#H2AsO3- 478
- H3AsO3 = H2AsO3- + H+
- log_k -9.15
- delta_h 27.54 kJ
-
-#HAsO3-2 479
- H3AsO3 = HAsO3-2 + 2H+
- log_k -23.85
- delta_h 59.41 kJ
-
-#AsO3-3 480
- H3AsO3 = AsO3-3 + 3H+
- log_k -39.55
- delta_h 84.73 kJ
-
-#H4AsO3+ 481
- H3AsO3 + H+ = H4AsO3+
- log_k -0.305
-
-#H2AsO4- 482
- H3AsO4 = H2AsO4- + H+
- log_k -2.3
- delta_h -7.066 kJ
-
-#HAsO4-2 483
- H3AsO4 = HAsO4-2 + 2H+
- log_k -9.46
- delta_h -3.846 kJ
-
-#AsO43- 484
- H3AsO4 = AsO4-3 + 3H+
- log_k -21.11
- delta_h 14.354 kJ
-
-#As3 secondary master species 487
- H3AsO4 + H2 = H3AsO3 + H2O
- log_k 22.5
- delta_h -117.480344 kJ
-
-#As3S4(HS)-2 631
- 3H3AsO3 + 6HS- + 5H+ = As3S4(HS)2- + 9H2O
- log_k 72.314
- -gamma 5.0 0.0
-
-#AsS(OH)(HS)- 637
- H3AsO3 + 2HS- + H+ = AsS(OH)(HS)- + 2H2O
- log_k 18.038
- -gamma 5.0 0.0
-
-#
-# TURNING OFF CHECKING FOR EQUATION BALANCE FOR
-# POLYSULFIDES
-#
-
-#Cu(S4)2-3 485 # Default redox will be used for the electron
-# Cu+2 + 2HS- + e- = Cu(S4)2-3 + 2H+ # (lhs) +6S
-# log_k 6.109
-# -no_check
-# -mass_balance CuS(-2)8
-# -gamma 23.0 0.0
-
-#CuS4S5-3 486 # Default redox will be used for the electron
-# Cu+2 + 2HS- + e- = CuS4S5-3 + 2H+ # (lhs) +7S
-# log_k 5.382
-# -no_check
-# -mass_balance CuS(-2)9
-# -gamma 25.0 0.0
-
-#As3/As5 487
-# H3AsO3 + H2O = H3AsO4 + 2H+ + 2e-
-# log_k -18.897
-# delta_h 30.015 kcal
-
-#S2-2 502
- HS- = S2-2 + H+ # (lhs) +S
- log_k -14.528
- delta_h 11.4 kcal
- -no_check
- -mass_balance S(-2)2
- -gamma 6.5 0.0
-
-#S3-2 503
- HS- = S3-2 + H+ # (lhs) +2S
- log_k -13.282
- delta_h 10.4 kcal
- -no_check
- -mass_balance S(-2)3
- -gamma 8.0 0.0
-
-#S4-2 504
- HS- = S4-2 + H+ # (lhs) +3S
- log_k -9.829
- delta_h 9.7 kcal
- -no_check
- -mass_balance S(-2)4
- -gamma 10.0 0.0
-
-#S5-2 505
- HS- = S5-2 + H+ # (lhs) +4S
- log_k -9.595
- delta_h 9.3 kcal
- -no_check
- -mass_balance S(-2)5
- -gamma 12.0 0.0
-
-#S6-2 506
- HS- = S6-2 + H+ # (lhs) +5S
- log_k -9.881
- -no_check
- -mass_balance S(-2)6
- -gamma 14.0 0.0
-
-#Ag(S4)2-3 507
- Ag+ + 2HS- = Ag(S4)2-3 + 2H+ # (lhs) +6S
- log_k 0.991
- -no_check
- -mass_balance AgS(-2)8
- -gamma 22.0 0.0
-
-#Ag(S4)S5-3 508
- Ag+ + 2HS- = Ag(S4)S5-3 + 2H+ # (lhs) +7S
- log_k 0.68
- -no_check
- -mass_balance AgS(-2)9
- -gamma 24.0 0.0
-
-#AgHS(S4)-2 509 # (lhs) +3S
- Ag+ + 2HS- = AgHS(S4)-2 + H+
- log_k 10.43
- -no_check
- -mass_balance AgHS(-2)5
- -gamma 15.0 0.0
-
-#
-# END OF POLYSULFIDES
-#
-
-#CuHCO3+ 510
- Cu+2 + HCO3- = CuHCO3+
- log_k 2.7
-
-#ZnHCO3+ 511
- Zn+2 + HCO3- = ZnHCO3+
- log_k 2.1
-
-#ZnCO3 512
- Zn+2 + CO3-2 = ZnCO3
- log_k 5.3
-
-#Zn(CO3)2-2 513
- Zn+2 + 2CO3-2 = Zn(CO3)2-2
- log_k 9.63
-
-#CdHCO3 514
- Cd+2 + HCO3- = CdHCO3+
- log_k 1.5
-
-#CdCO3 515
- Cd+2 + CO3-2 = CdCO3
- log_k 2.9
-
-#Cd(SO4)2-2 516
- Cd+2 + 2SO4-2 = Cd(SO4)2-2
- log_k 3.5
-
-#PbHCO3+ 517
- Pb+2 + HCO3- = PbHCO3+
- log_k 2.9
-
-#NiCl2 518
- Ni+2 + 2Cl- = NiCl2
- log_k 0.96
-
-#NiHCO3+ 519
- Ni+2 + HCO3- = NiHCO3+
- log_k 2.14
-
-#NiCO3 520
- Ni+2 + CO3-2 = NiCO3
- log_k 6.87
-
-#Ni(CO3)2-2 521
- Ni+2 + 2CO3-2 = Ni(CO3)2-2
- log_k 10.11
-
-#Ni(SO4)2-2 522
- Ni+2 + 2SO4-2 = Ni(SO4)2-2
- log_k 1.02
-
-#HFulvate 523
- H+ + Fulvate-2 = HFulvate-
- log_k 4.27
-
-#HHumate 524
- H+ + Humate-2 = HHumate-
- log_k 4.27
-
-#FeFulvate 525
- Fe+3 + Fulvate-2 = FeFulvate+
- log_k 9.4
-
-#FeHumate 526
- Fe+3 + Humate-2 = FeHumate+
- log_k 9.4
-
-#CuFulvate 527
- Cu+2 + Fulvate-2 = CuFulvate
- log_k 6.2
-
-#CuHumate 528
- Cu+2 + Humate-2 = CuHumate
- log_k 6.2
-
-#CdFulvate 529
- Cd+2 + Fulvate-2 = CdFulvate
- log_k 3.5
-
-#CdHumate 530
- Cd+2 + Humate-2 = CdHumate
- log_k 3.5
-
-#AgFulvate 531
- Ag+ + Fulvate-2 = AgFulvate-
- log_k 2.4
-
-#AgHumate 532
- Ag+ + Humate-2 = AgHumate-
- log_k 2.4
-
-#H2F2 537
- 2H+ + 2F- = H2F2
- log_k 6.768
-
-#peS/H2S 538
-# S + 2H+ + 2e- = H2S
-# 4.882 -9.5
-
-#NaF 540
- Na+ + F- = NaF
- log_k -0.24
-
-#FeCl+ 542
- Fe+2 + Cl- = FeCl+
- log_k 0.14
- -gamma 5.0 0.0
-
-#BaSO4 543
- Ba+2 + SO4-2 = BaSO4
- log_k 2.7
-
-#HSe- secondary master species 549
- SeO3-2 + 7H+ + 6e- = HSe- + 3H2O
- log_k 42.514
-
-#H2Se 544
- HSe- + H+ = H2Se
- log_k 3.8
- delta_h -5.3 kcal
-
-#SeO3-2 secondary master species 548
- SeO4-2 + 2H+ + 2e- = SeO3-2 + H2O
- log_k 30.256
-
-#H2SeO3 545
- SeO3-2 + 2H+ = H2SeO3
- log_k 11.25
-
-#HSeO3- 546
- SeO3-2 + H+ = HSeO3-
- log_k 8.5
-
-#HSeO4- 547
- SeO4-2 + H+ = HSeO4-
- log_k 1.66
- delta_h 4.91 kcal
-
-#Se4/Se6 548
-# SeO3-2 + H2O = SeO4-2 + 2H+ + 2e-
-# -30.256 0.0
-
-#Se4/Se-2 549
-# SeO3-2 + 7H+ + 6e- = HSe- + 3H2O
-# 42.514 0.0
-
-#As3/As 557
-# H3AsO3 + 3H+ + 3e- = As + 3H2O
-# 12.170 0.0
-
-#FeHCO3+ 558
- Fe+2 + HCO3- = FeHCO3+
- log_k 2.0
-
-#FeCO3 559
- Fe+2 + CO3-2 = FeCO3
- log_k 4.38
-
-#MnCO3 560
- Mn+2 + CO3-2 = MnCO3
- log_k 4.9
-
-#BaHCO3+ 561
- Ba+2 + HCO3- = BaHCO3+
- log_k 0.982
- delta_h 5.56 kcal
- -analytical -3.0938 0.013669 0.0 0.0 0.0
-
-#BaCO3 562
- Ba+2 + CO3-2 = BaCO3
- log_k 2.71
- delta_h 3.55 kcal
- -analytical 0.113 0.008721 0.0 0.0 0.0
-
-#SrSO4 563
- Sr+2 + SO4-2 = SrSO4
- log_k 2.29
- delta_h 2.08 kcal
-
-#U+4 secondary master species 565
- UO2+2 + 4H+ + 2e- = U+4 + 2H2O
- log_k 9.04
- delta_h -34.43 kcal
-
-#U+3 secondary master species 566
- U+4 + e- = U+3
- log_k -8.796
- delta_h 24.4 kcal
-
-#UOH+3 567
- U+4 + H2O = UOH+3 + H+
- log_k -0.54
- delta_h 11.21 kcal
-
-#U(OH)2+2 568
- U+4 + 2H2O = U(OH)2+2 + 2H+
- log_k -2.27
- delta_h 17.73 kcal
-
-#U(OH)3+ 569
- U+4 + 3H2O = U(OH)3+ + 3H+
- log_k -4.935
- delta_h 22.645 kcal
-
-#U(OH)4 570
- U+4 + 4H2O = U(OH)4 + 4H+
- log_k -8.498
- delta_h 24.76 kcal
-
-#U6(OH)15+9 572
- 6U+4 + 15H2O = U6(OH)15+9 + 15H+
- log_k -17.2
-
-#UF+3 578
- U+4 + F- = UF+3
- log_k 9.3
- delta_h -1.3 kcal
-
-#UF2+2 579
- U+4 + 2F- = UF2+2
- log_k 16.22
- delta_h -0.8 kcal
-
-#UF3+ 580
- U+4 + 3F- = UF3+
- log_k 21.6
- delta_h 0.1 kcal
-
-#UF4 581
- U+4 + 4F- = UF4
- log_k 25.5
- delta_h -0.87 kcal
-
-#UF5- 582
- U+4 + 5F- = UF5-
- log_k 27.01
- delta_h 4.85 kcal
-
-#UF6-2 583
- U+4 + 6F- = UF6-2
- log_k 29.1
- delta_h 3.3 kcal
-
-#UCl+3 586
- U+4 + Cl- = UCl+3
- log_k 1.72
- delta_h -4.54 kcal
-
-#USO4+2 587
- U+4 + SO4-2 = USO4+2
- log_k 6.58
- delta_h 1.9 kcal
-
-#U(SO4)2 588
- U+4 + 2SO4-2 = U(SO4)2
- log_k 10.5
- delta_h 7.8 kcal
-
-#U(CO3)4-4 589
- U+4 + 4CO3-2 = U(CO3)4-4
- log_k 32.9
-
-#U(CO3)5-6 590
- U+4 + 5CO3-2 = U(CO3)5-6
- log_k 34.0
- delta_h 20.0 kcal
-
-#UO2+ secondary master species 595
- UO2+2 + e- = UO2+
- log_k 1.49
- delta_h -3.3 kcal
-
-#UO2OH+ 596
- UO2+2 + H2O = UO2OH+ + H+
- log_k -5.2
- delta_h 11.015 kcal
-
-#(UO2)2(OH)2+2 597
- 2UO2+2 + 2H2O = (UO2)2(OH)2+2 + 2H+
- log_k -5.62
- delta_h 10.23 kcal
-
-#(UO2)3(OH)5+ 598
- 3UO2+2 + 5H2O = (UO2)3(OH)5+ + 5H+
- log_k -15.55
- delta_h 25.075 kcal
-
-#UO2CO3 603
- UO2+2 + CO3-2 = UO2CO3
- log_k 9.63
- delta_h 1.2 kcal
-
-#UO2(CO3)2-2 604
- UO2+2 + 2CO3-2 = UO2(CO3)2-2
- log_k 17.0
- delta_h 4.42 kcal
-
-#UO2(CO3)3-4 605
- UO2+2 + 3CO3-2 = UO2(CO3)3-4
- log_k 21.63
- delta_h -9.13 kcal
-
-#UO2F+ 607
- UO2+2 + F- = UO2F+
- log_k 5.09
- delta_h 0.41 kcal
-
-#UO2F2 608
- UO2+2 + 2F- = UO2F2
- log_k 8.62
- delta_h 0.5 kcal
-
-#UO2F3- 609
- UO2+2 + 3F- = UO2F3-
- log_k 10.9
- delta_h 0.56 kcal
-
-#UO2F4-2 610
- UO2+2 + 4F- = UO2F4-2
- log_k 11.7
- delta_h 0.07 kcal
-
-#UO2Cl+ 611
- UO2+2 + Cl- = UO2Cl+
- log_k 0.17
- delta_h 1.9 kcal
-
-#UO2SO4 612
- UO2+2 + SO4-2 = UO2SO4
- log_k 3.15
- delta_h 4.7 kcal
-
-#UO2(SO4)2-2 613
- UO2+2 + 2SO4-2 = UO2(SO4)2-2
- log_k 4.14
- delta_h 8.4 kcal
-
-#UO2HPO4 614
- UO2+2 + PO4-3 + H+ = UO2HPO4
- log_k 20.21
- delta_h -2.1 kcal
-
-#UO2(HPO4)2-2 615
- UO2+2 + 2PO4-3 + 2H+ = UO2(HPO4)2-2
- log_k 43.441
- delta_h -11.8 kcal
-
-#UO2H2PO4+ 616
- UO2+2 + PO4-3 + 2H+ = UO2H2PO4+
- log_k 22.87
- delta_h -3.7 kcal
-
-#UO2H2PO4)2 617
- UO2+2 + 2PO4-3 + 4H+ = UO2(H2PO4)2
- log_k 44.38
- delta_h -16.5 kcal
-
-#UO2H2PO4)3- 618
- UO2+2 + 3PO4-3 + 6H+ = UO2(H2PO4)3-
- log_k 66.245
- delta_h -28.6 kcal
-
-#UBr+3 633
- U+4 + Br- = UBr+3
- log_k 1.5
-
-#UI+3 634
- U+4 + I- = UI+3
- log_k 1.3
-
-#UNO3+3 635
- U+4 + NO3- = UNO3+3
- log_k 1.47
-
-#U(NO3)2+2 636
- U+4 + 2NO3- = U(NO3)2+2
- log_k 2.3
-
-#UO2(OH)3- 638
- UO2+2 + 3H2O = UO2(OH)3- + 3H+
- log_k -19.2
-
-#UO2(OH)4-2 639
- UO2+2 + 4H2O = UO2(OH)4-2 + 4H+
- log_k -33.0
-
-#(UO2)2OH+3 640
- 2UO2+2 + H2O = (UO2)2OH+3 + H+
- log_k -2.7
-
-#(UO2)3(OH)4+2 641
- 3UO2+2 + 4H2O = (UO2)3(OH)4+2 + 4H+
- log_k -11.9
-
-#(UO2)3(OH)7- 642
- 3UO2+2 + 7H2O = (UO2)3(OH)7- + 7H+
- log_k -31.0
-
-#(UO2)4(OH)7+ 643
- 4UO2+2 + 7H2O = (UO2)4(OH)7+ + 7H+
- log_k -21.9
-
-#UO2Cl2 644
- UO2+2 + 2Cl- = UO2Cl2
- log_k -1.1
- delta_h 3.6 kcal
-
-#UO2Br+ 645
- UO2+2 + Br- = UO2Br+
- log_k 0.22
-
-#UO2NO3+ 646
- UO2+2 + NO3- = UO2NO3+
- log_k 0.3
-
-#UO2H3PO4+2 647
- UO2+2 + PO4-3 + 3H+ = UO2H3PO4+2
- log_k 22.813
-
-#(UO2)3(CO3)6-6 648
- 3UO2+2 + 6CO3-2 = (UO2)3(CO3)6-6
- log_k 54.0
-
-#UO2PO4- 649
- UO2+2 + PO4-3 = UO2PO4-
- log_k 13.69
-
-#UO2(CO3)3-5 650
-# UO2+2 + 3CO3-2 + e- = UO2(CO3)3-5
-# log_k 8.920
- UO2+ + 3CO3-2 = UO2(CO3)3-5
- log_k 7.43
- delta_h 3.33 kcal
-
-PHASES
-
-H2O(g)
- H2O = H2O
- log_k 1.51
- delta_h -44.03 kJ
-# Stumm and Morgan, from NBS and Robie, Hemmingway, and Fischer (1978)
-
-Siderite(d)(3) 9
- FeCO3 = Fe+2 + CO3-2
- log_k -10.45
-
-Magnesite 10
- MgCO3 = Mg+2 + CO3-2
- log_k -8.029
- delta_h -6.169 kcal
-
-Dolomite(d) 11
- CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2
- log_k -16.54
- delta_h -11.09 kcal
-
-Calcite 12
- CaCO3 = Ca+2 + CO3-2
- log_k -8.48
- delta_h -2.297 kcal
- -analytical -171.9065 -0.077993 2839.319 71.595 0.0
-
-Anhydrite 17
- CaSO4 = Ca+2 + SO4-2
- log_k -4.36
- delta_h -1.71 kcal
- -analytical 197.52 0.0 -8669.8 -69.835 0.0
-
-Gypsum 18
- CaSO4:2H2O = Ca+2 + SO4-2 + 2H2O
- log_k -4.58
- delta_h -0.109 kcal
- -analytical 68.2401 0.0 -3221.51 -25.0627 0.0
-
-Brucite 19
- Mg(OH)2 + 2H+ = Mg+2 + 2H2O
- log_k 16.84
- delta_h -27.1 kcal
-
-Chrysotile 20
- Mg3Si2O5(OH)4 + 6H+ = 3Mg+2 + 2H4SiO4 + H2O
- log_k 32.2
- delta_h -46.8 kcal
- -analytical 13.248 0.0 10217.1 -6.1894 0.0
-
-Aragonite 21
- CaCO3 = Ca+2 + CO3-2
- log_k -8.336
- delta_h -2.589 kcal
- -analytical -171.9773 -0.077993 2903.293 71.595 0.0
-
-Forsterite 27
- Mg2SiO4 + 4H+ = 2Mg+2 + H4SiO4
- log_k 28.306
- delta_h -48.578 kcal
-
-Diopside 28
- CaMgSi2O6 + 4H+ + 2H2O = Ca+2 + Mg+2 + 2H4SiO4
- log_k 19.894
- delta_h -32.348 kcal
-
-Clinoenstatite 29
- MgSiO3 + 2H+ + H2O = Mg+2 + H4SiO4
- log_k 11.342
- delta_h -20.049 kcal
-
-Tremolite 31
- Ca2Mg5Si8O22(OH)2+14H+ +8H2O = 2Ca+2 +5Mg+2 +8H4SiO4
- log_k 56.574
- delta_h -96.853 kcal
-
-Sepiolite 36
- Mg2Si3O7.5OH:3H2O+0.5H2O+4H+ = 2Mg+2 +3H4SiO4
- log_k 15.76
- delta_h -10.7 kcal
-
-Talc 37
- Mg3Si4O10(OH)2+4H2O+6H+=3Mg+2 +4H4SiO4
- log_k 21.399
- delta_h -46.352 kcal
-
-Hydromagnesite 38
- Mg5(CO3)4(OH)2:4H2O + 2H+ = 5Mg+2 + 4CO3-2 + 6H2O
- log_k -8.762
- delta_h -52.244 kcal
-
-Adularia 39
- KAlSi3O8 + 8H2O = K+ + Al(OH)4- + 3H4SiO4
- log_k -20.573
- delta_h 30.82 kcal
-
-Albite 40
- NaAlSi3O8 + 8H2O = Na+ + Al(OH)4- + 3H4SiO4
- log_k -18.002
- delta_h 25.896 kcal
-
-Anorthite 41
- CaAl2Si2O8 + 8H2O = Ca+2 + 2Al(OH)4- + 2H4SiO4
- log_k -19.714
- delta_h 11.58 kcal
-
-Analcime 42
- NaAlSi2O6:H2O + 5H2O = Na+ + Al(OH)4- + 2H4SiO4
- log_k -12.701
- delta_h 18.206 kcal
-
-Kmica 43
- KAl3Si3O10(OH)2+10H+=K+ +3Al+3 +3H4SiO4
- log_k 12.703
- delta_h -59.376 kcal
-
-Phlogopite 44
- KMg3AlSi3O10(OH)2 + 10H+ = K+ + 3Mg+2 + Al+3 + 3H4SiO4
- log_k 43.3
- delta_h -42.30 kcal
-
-Illite 45
- K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2H2O = 0.6K+ +0.25Mg+2 + 2.3Al(OH)4- + 3.5H4SiO4 + 1.2H+
- log_k -40.267
- delta_h 54.684 kcal
-
-Kaolinite 46
- Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O
- log_k 7.435
- delta_h -35.3 kcal
-
-Halloysite 47
- Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O
- log_k 12.498
- delta_h -39.920 kcal
-
-Beidellite 48
- (NaKMg0.5)0.11Al2.33Si3.67O10(OH)2 + 12H2O = 0.11Na+ + 0.11K+ + 0.055Mg+2 + 2.33Al(OH)4- + 3.67H4SiO4 + 2H+
- log_k -45.272
- delta_h 60.355 kcal
-
-Chlorite14A 49
- Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 + 3H4SiO4 + 6H2O
- log_k 68.38
- delta_h -151.494 kcal
-
-Alunite 50
- KAl3(SO4)2(OH)6 + 6H+ = K+ + 3Al+3 + 2SO4-2 + 6H2O
- log_k -1.4
- delta_h -50.25 kcal
-
-Gibbsite 51
- Al(OH)3 + 3H+ = Al+3 + 3H2O
- log_k 8.11
- delta_h -22.8 kcal
-
-Boehmite 52
- AlOOH + 3H+ = Al+3 + 2H2O
- log_k 8.584
- delta_h -28.181 kcal
-
-Pyrophyllite 53
- Al2Si4O10(OH)2 + 12H2O = 2Al(OH)4- + 4H4SiO4 + 2H+
- log_k -48.314
-
-Phillipsite 54
- Na0.5K0.5AlSi3O8:H2O + 7H2O = 0.5Na+ +0.5K+ + Al(OH)4- + 3H4SiO4
- log_k -19.874
-
-Nahcolite 58
- NaHCO3 = Na+ + HCO3-
- log_k -0.548
- delta_h 3.720 kcal
-
-Trona 59
- NaHCO3:Na2CO3:2H2O = 2H2O + 3Na+ + CO3-2 + HCO3-
- log_k -0.795
- delta_h -18.0 kcal
-
-Natron 60
- Na2CO3:10H2O = 2Na+ + CO3-2 + 10H2O
- log_k -1.311
- delta_h 15.745 kcal
-
-Thermonatrite 61
- Na2CO3:H2O = 2Na+ + CO3-2 + H2O
- log_k 0.125
- delta_h -2.802 kcal
-
-Fluorite 62
- CaF2 = Ca+2 + 2F-
- log_k -10.6
- delta_h 4.69 kcal
- -analytical 66.348 0.0 -4298.2 -25.271 0.0
-
-Montmorillonite-Ca 63
- Ca0.165Al2.33Si3.67O10(OH)2 + 12H2O = 0.165Ca+2 + 2.33Al(OH)4- + 3.67H4SiO4 + 2H+
- log_k -45.027
- delta_h 58.373 kcal
-
-Halite 64
- NaCl = Na+ + Cl-
- log_k 1.582
- delta_h 0.918 kcal
-
-Thenardite 65
- Na2SO4 = 2Na+ + SO4-2
- log_k -0.179
- delta_h -0.572 kcal
-
-Mirabilite 66
- Na2SO4:10H2O = 2Na+ + SO4-2 + 10H2O
- log_k -1.114
- delta_h 18.987 kcal
-
-Mackinawite 67
- FeS + H+ = Fe+2 + HS-
- log_k -4.648
-
-Siderite 94
- FeCO3 = Fe+2 + CO3-2
- log_k -10.89
- delta_h -2.48 kcal
-
-Hydroxyapatite 95
- Ca5(PO4)3OH + 4H+ = 5Ca+2 + 3HPO4-2 + H2O
- log_k -3.421
- delta_h -36.155 kcal
-
-Fluorapatite 96
- Ca5(PO4)3F + 3H+ = 5Ca+2 + 3HPO4-2 + F-
- log_k -17.6
- delta_h -20.070 kcal
-
-Chalcedony 97
- SiO2 + 2H2O = H4SiO4
- log_k -3.55
- delta_h 4.72 kcal
- -analytical -0.09 0.0 -1032.0 0.0 0.0
-
-Magadiite 98
- NaSi7O13(OH)3:3H2O + H+ + 9H2O = Na+ + 7H4SiO4
- log_k -14.3
-
-Cristobalite 99
- SiO2 + 2H2O = H4SiO4
- log_k -3.587
- delta_h 5.5 kcal
-
-Silicagel 100
- SiO2 + 2H2O = H4SiO4
- log_k -3.018
- delta_h 4.440 kcal
-
-Quartz 101
- SiO2 + 2H2O = H4SiO4
- log_k -3.98
- delta_h 5.99 kcal
- -analytical 0.41 0.0 -1309.0 0.0 0.0
-
-Vivianite 106
- Fe3(PO4)2:8H2O = 3Fe+2 + 2PO4-3 + 8H2O
- log_k -36.0
-
-Magnetite 107
- Fe3O4 + 8H+ = 2Fe+3 + Fe+2 + 4H2O
- log_k 3.737
- delta_h -50.460 kcal
-
-Hematite 108
- Fe2O3 + 6H+ = 2Fe+3 + 3H2O
- log_k -4.008
- delta_h -30.845 kcal
-
-Maghemite 109
- Fe2O3 + 6H+ = 2Fe+3 + 3H2O
- log_k 6.386
-
-Goethite 110
- FeOOH + 3H+ = Fe+3 + 2H2O
- log_k -1.0
- delta_h -14.48 kcal
-
-Greenalite 111
- Fe3Si2O5(OH)4 + 6H+ = 3Fe+2 + 2 H4SiO4 + H2O
- log_k 20.810
-
-Fe(OH)3(a) 112
- Fe(OH)3 + 3H+ = Fe+3 + 3H2O
- log_k 4.891
-
-Annite 113
- KFe3AlSi3O10(OH)2 + 10H2O = K+ + 3Fe+2 + Al(OH)4- + 3H4SiO4 + 6OH-
- log_k -85.645
- delta_h 62.480 kcal
-
-Pyrite 114
- FeS2 + 2H+ + 2e- = Fe+2 + 2HS-
- log_k -18.479
- delta_h 11.3 kcal
-
-Montmorillonite-BelleFourche 115
- (HNaK)0.09Mg0.29Fe0.24Al1.57Si3.93O10(OH)2 + 10H2O = 0.09H+ + 0.09Na+ + 0.09K+ + 0.29Mg+2 + 0.24Fe+3 + 1.57Al(OH)4- + 3.93H4SiO4
- log_k -34.913
-
-Montmorillonite-Aberdeen 116
- (HNaK)0.14Mg0.45Fe0.33Al1.47Si3.82O10(OH)2 + 9.16H2O + 0.84H+ = 0.14H+ + 0.14Na+ + 0.14K+ + 0.45Mg+2 + 0.33Fe+3 + 1.47Al(OH)4- + 3.82H4SiO4
- log_k -29.688
-
-Huntite 117
- CaMg3(CO3)4 = 3Mg+2 + Ca+2 + 4CO3-2
- log_k -29.968
- delta_h -25.760 kcal
-
-Greigite 118
- Fe3S4 + 4H+ = 2Fe+3 + Fe+2 + 4HS-
- log_k -45.035
-
-FeS(ppt) 119
- FeS + H+ = Fe+2 + HS-
- log_k -3.915
-
-Chlorite7A 125
- Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 +3H4SiO4 + 6H2O
- log_k 71.752
- delta_h -155.261 kcal
-
-Laumontite 128
- CaAl2Si4O12:4H2O + 8H2O = Ca+2 + 2Al(OH)4- + 4H4SiO4
- log_k -30.960
- delta_h 39.610 kcal
-
-Jarosite(ss) 133
- (K0.77Na0.03H0.2)Fe3(SO4)2(OH)6 + 5.8H+ = 0.77K+ + 0.03Na+ + 3Fe+3 + 2SO4-2 + 6H2O
- log_k -9.83 # WATEQ4F, Alpers and others, 1989
-
-
-Mn2(SO4)3 134
- Mn2(SO4)3 = 2Mn+3 + 3SO4-2
- log_k -5.711
- delta_h -39.060 kcal
-
-Al(OH)3(a) 140
- Al(OH)3 + 3H+ = Al+3 + 3H2O
- log_k 10.8
- delta_h -26.5 kcal
-
-Prehnite 141
- Ca2Al2Si3O10(OH)2 + 8H2O + 2H+ = 2Ca+2 + 2Al(OH)4- + 3H4SiO4
- log_k -11.695
- delta_h 10.390 kcal
-
-Strontianite 142
- SrCO3 = Sr+2 + CO3-2
- log_k -9.271
- delta_h -0.4 kcal
- -analytical 155.0305 0.0 -7239.594 -56.58638 0.0
-
-Celestite 143
- SrSO4 = Sr+2 + SO4-2
- log_k -6.63
- delta_h -1.037 kcal
- -analytical -14805.9622 -2.4660924 756968.533 5436.3588 -40553604.
-
-Barite 144
- BaSO4 = Ba+2 + SO4-2
- log_k -9.97
- delta_h 6.35 kcal
- -analytical 136.035 0.0 -7680.41 -48.595 0.0
-
-Witherite 145
- BaCO3 = Ba+2 + CO3-2
- log_k -8.562
- delta_h 0.703 kcal
- -analytical 607.642 0.121098 -20011.25 -236.4948 0.0
-
-Strengite 146
- FePO4:2H2O = Fe+3 + PO4-3 + 2H2O
- log_k -26.4
- delta_h -2.030 kcal
-
-Leonhardite 147
- Ca2Al4Si8O24:7H2O + 17H2O = 2Ca+2 + 4Al(OH)4- + 8H4SiO4
- log_k -69.756
- delta_h 90.070 kcal
-
-Nesquehonite 149
- MgCO3:3H2O = Mg+2 + CO3-2 + 3H2O
- log_k -5.621
- delta_h -5.789 kcal
-
-Artinite 150
- MgCO3:Mg(OH)2:3H2O + 2H+ = 2Mg+2 + CO3-2 + 5H2O
- log_k 9.6
- delta_h -28.742 kcal
-
-Sepiolite(d) 153
- Mg2Si3O7.5OH:3H2O+0.5H2O+4H+=2Mg+2 +3H4SiO4
- log_k 18.66
-
-Diaspore 154
- AlOOH + 3H+ = Al+3 + 2H2O
- log_k 6.879
- delta_h -24.681 kcal
-
-Wairakite 155
- CaAl2Si4O12:2H2O + 10H2O = Ca+2 + 2Al(OH)4- + 4H4SiO4
- log_k -26.708
- delta_h 26.140 kcal
-
-Fe(OH)2.7Cl.3 181
- Fe(OH)2.7Cl0.3 + 2.7H+ = Fe+3 + 2.7H2O + 0.3 Cl-
- log_k -3.040
-
-MnSO4 182
- MnSO4 = Mn+2 + SO4-2
- log_k 2.669
- delta_h -15.480 kcal
-
-Pyrolusite 183
- MnO2 + 4H+ + 2e- = Mn+2 + 2H2O
- log_k 41.38
- delta_h -65.11 kcal
-
-Birnessite 184
- MnO2 + 4H+ + 2e- = Mn+2 + 2H2O
- log_k 43.601
-
-Nsutite 185
- MnO2 + 4H+ + 2e- = Mn+2 + 2H2O
- log_k 42.564
-
-Bixbyite 186
- Mn2O3 + 6H+ = 2Mn+3 + 3H2O
- log_k -0.611
- delta_h -15.245 kcal
-
-Hausmannite 187
- Mn3O4 + 8H+ + 2e- = 3Mn+2 + 4H2O
- log_k 61.03
- delta_h -100.64 kcal
-
-Pyrochroite 188
- Mn(OH)2 + 2H+ = Mn+2 + 2H2O
- log_k 15.2
-
-Manganite 189
- MnOOH + 3H+ + e- = Mn+2 + 2H2O
- log_k 25.340
-
-Rhodochrosite(d) 190
- MnCO3 = Mn+2 + CO3-2
- log_k -10.390
-
-MnCl2:4H2O 191
- MnCl2:4H2O = Mn+2 + 2Cl- + 4H2O
- log_k 2.710
- delta_h 17.380 kcal
-
-MnS(Green) 192
- MnS + H+ = Mn+2 + HS-
- log_k 3.8
- delta_h -5.790 kcal
-
-Mn3(PO4)2 193
- Mn3(PO4)2 = 3Mn+2 + 2PO4-3
- log_k -23.827
- delta_h 2.120 kcal
-
-MnHPO4 194
- MnHPO4 = Mn+2 + HPO4-2
- log_k -12.947
-
-Jarosite-Na 204
- NaFe3(SO4)2(OH)6 + 6H+ = Na+ + 3Fe+3 + 2SO4-2 + 6H2O
- log_k -5.280
- delta_h -36.180 kcal
-
-Jarosite-K 205
- KFe3(SO4)2(OH)6 + 6H+ = K+ + 3Fe+3 + 2SO4-2 + 6H2O
- log_k -9.21
- delta_h -31.28 kcal
-
-CuMetal 223
- Cu = Cu+ + e-
- log_k -8.760
- delta_h 17.130 kcal
-
-Nantokite 224
- CuCl = Cu+ + Cl-
- log_k -6.760
- delta_h 9.980 kcal
-
-CuF 225
- CuF = Cu+ + F-
- log_k 7.080
- delta_h -12.370 kcal
-
-Cuprite 226
- Cu2O + 2H+ = 2Cu+ + H2O
- log_k -1.550
- delta_h 6.245 kcal
-
-Chalcocite 227
- Cu2S + H+ = 2Cu+ + HS-
- log_k -34.619
- delta_h 49.350 kcal
-
-Cu2SO4 228
- Cu2SO4 = 2Cu+ + SO4-2
- log_k -1.950
- delta_h -4.560 kcal
-
-CuprousFerrite 229
- CuFeO2 + 4H+ = Cu+ + Fe+3 + 2H2O
- log_k -8.920
- delta_h -3.8 kcal
-
-Melanothallite 230
- CuCl2 = Cu+2 + 2Cl-
- log_k 3.730
- delta_h -12.320 kcal
-
-CuCO3 231
- CuCO3 = Cu+2 + CO3-2
- log_k -9.630
-
-CuF2 232
- CuF2 = Cu+2 + 2F-
- log_k -0.620
- delta_h -13.320 kcal
-
-CuF2:2H2O 233
- CuF2:2H2O = Cu+2 + 2F- + 2H2O
- log_k -4.550
- delta_h -3.650 kcal
-
-Cu(OH)2 234
- Cu(OH)2 + 2H+ = Cu+2 + 2H2O
- log_k 8.640
- delta_h -15.250 kcal
-
-Malachite 235
- Cu2(OH)2CO3 + 3H+ = 2Cu+2 + 2H2O + HCO3-
- log_k 5.150
- delta_h -19.760 kcal
-
-Azurite 236
- Cu3(OH)2(CO3)2 + 4H+ = 3Cu+2 + 2H2O + 2HCO3-
- log_k 3.750
- delta_h -30.870 kcal
-
-Atacamite 237
- Cu2(OH)3Cl + 3H+ = 2Cu+2 + 3H2O + Cl-
- log_k 7.340
- delta_h -18.690 kcal
-
-Cu2(OH)3NO3 238
- Cu2(OH)3NO3 + 3H+ = 2Cu+2 + 3H2O + NO3-
- log_k 9.240
- delta_h -17.350 kcal
-
-Antlerite 239
- Cu3(OH)4SO4 + 4H+ = 3Cu+2 + 4H2O + SO4-2
- log_k 8.290
-
-Brochantite 240
- Cu4(OH)6SO4 + 6H+ = 4Cu+2 + 6H2O + SO4-2
- log_k 15.340
-
-Langite 241
- Cu4(OH)6SO4:H2O + 6H+ = 4Cu+2 + 7H2O + SO4-2
- log_k 16.790
- delta_h -39.610 kcal
-
-Tenorite 242
- CuO + 2H+ = Cu+2 + H2O
- log_k 7.620
- delta_h -15.240 kcal
-
-CuOCuSO4 243
- CuO:CuSO4 + 2H+ = 2Cu+2 + H2O + SO4-2
- log_k 11.530
- delta_h -35.575 kcal
-
-Cu3(PO4)2 244
- Cu3(PO4)2 = 3Cu+2 + 2PO4-3
- log_k -36.850
-
-Cu3(PO4)2:3H2O 245
- Cu3(PO4)2:3H2O = 3Cu+2 + 2PO4-3 + 3H2O
- log_k -35.120
-
-Covellite 246
- CuS + H+ = Cu+2 + HS-
- log_k -22.270
- delta_h 24.010 kcal
-
-CuSO4 247
- CuSO4 = Cu+2 + SO4-2
- log_k 3.010
- delta_h -18.140 kcal
-
-Chalcanthite 248
- CuSO4:5H2O = Cu+2 + SO4-2 + 5H2O
- log_k -2.640
- delta_h 1.440 kcal
-
-CupricFerrite 249
- CuFe2O4 + 8H+ = Cu+2 + 2Fe+3 + 4H2O
- log_k 5.880
- delta_h -38.690 kcal
-
-Chalcopyrite 250
- CuFeS2 + 2H+ = Cu+2 + Fe+2 + 2HS-
- log_k -35.270
- delta_h 35.480 kcal
-
-ZnMetal 265
- Zn = Zn+2 + 2e-
- log_k 25.757
- delta_h -36.780 kcal
-
-Zn(BO2)2 266
- Zn(BO2)2 + 2H2O + 2H+ = Zn+2 + 2H3BO3
- log_k 8.290
-
-ZnCl2 267
- ZnCl2 = Zn+2 + 2Cl-
- log_k 7.030
- delta_h -17.480 kcal
-
-Smithsonite 268
- ZnCO3 = Zn+2 + CO3-2
- log_k -10.0
- delta_h -4.36 kcal
-
-ZnCO3:H2O 269
- ZnCO3:H2O = Zn+2 + CO3-2 + H2O
- log_k -10.260
-
-ZnF2 270
- ZnF2 = Zn+2 + 2F-
- log_k -1.520
- delta_h -13.080 kcal
-
-Zn(OH)2-a 271
- Zn(OH)2 + 2H+ = Zn+2 + 2H2O
- log_k 12.450
-
-Zn(OH)2-c 272
- Zn(OH)2 + 2H+ = Zn+2 + 2H2O
- log_k 12.2
-
-Zn(OH)2-b 273
- Zn(OH)2 + 2H+ = Zn+2 + 2H2O
- log_k 11.750
-
-Zn(OH)2-g 274
- Zn(OH)2 + 2H+ = Zn+2 + 2H2O
- log_k 11.710
-
-Zn(OH)2-e 275
- Zn(OH)2 + 2H+ = Zn+2 + 2H2O
- log_k 11.5
-
-Zn2(OH)3Cl 276
- Zn2(OH)3Cl + 3H+= 2Zn+2 + 3H2O + Cl-
- log_k 15.2
-
-Zn5(OH)8Cl2 277
- Zn5(OH)8Cl2 + 8H+ = 5Zn+2 + 8H2O + 2Cl-
- log_k 38.5
-
-Zn2(OH)2SO4 278
- Zn2(OH)2SO4 + 2H+ = 2Zn+2 + 2H2O + SO4-2
- log_k 7.5
-
-Zn4(OH)6SO4 279
- Zn4(OH)6SO4 + 6H+ = 4Zn+2 + 6H2O + SO4-2
- log_k 28.4
-
-Zn(NO3)2:6H2O 280
- Zn(NO3)2:6H2O = Zn+2 + 2NO3- + 6H2O
- log_k 3.440
- delta_h 5.510 kcal
-
-ZnO(a) 281
- ZnO + 2H+ = Zn+2 + H2O
- log_k 11.310
-
-Zincite(c) 282
- ZnO + 2H+ = Zn+2 + H2O
- log_k 11.140
- delta_h -21.860 kcal
-
-Zn3O(SO4)2 283
- ZnO:2ZnSO4 + 2H+ = 3Zn+2 + 2SO4-2 + H2O
- log_k 19.020
- delta_h -62.0 kcal
-
-Zn3(PO4)2:4w 284
- Zn3(PO4)2:4H2O = 3Zn+2 + 2PO4-3 + 4H2O
- log_k -32.040
-
-ZnS(a) 285
- ZnS + H+ = Zn+2 + HS-
- log_k -9.052
- delta_h 3.670 kcal
-
-Sphalerite 286
- ZnS + H+ = Zn+2 + HS-
- log_k -11.618
- delta_h 8.25 kcal
-
-Wurtzite 287
- ZnS + H+ = Zn+2 + HS-
- log_k -9.682
- delta_h 5.060 kcal
-
-ZnSiO3 288
- ZnSiO3 + 2H+ + H2O = Zn+2 + H4SiO4
- log_k 2.930
- delta_h -18.270 kcal
-
-Willemite 289
- Zn2SiO4 + 4H+ = 2Zn+2 + H4SiO4
- log_k 15.33
- delta_h -33.37 kcal
-
-Zincosite 290
- ZnSO4 = Zn+2 + SO4-2
- log_k 3.010
- delta_h -19.2 kcal
-
-ZnSO4:H2O 291
- ZnSO4:H2O = Zn+2 + SO4-2 + H2O
- log_k -0.570
- delta_h -10.640 kcal
-
-Bianchite 292
- ZnSO4:6H2O = Zn+2 + SO4-2 + 6H2O
- log_k -1.765
- delta_h -0.160 kcal
-
-Goslarite 293
- ZnSO4:7H2O = Zn+2 + SO4-2 + 7H2O
- log_k -1.960
- delta_h 3.3 kcal
-
-CdMetal 312
- Cd = Cd+2 + 2e-
- log_k 13.490
- delta_h -18.0 kcal
-
-Cd(gamma) 313
- Cd = Cd+2 + 2e-
- log_k 13.590
- delta_h -18.140 kcal
-
-Cd(BO2)2 314
- Cd(BO2)2 + 2H2O + 2H+ = Cd+2 + 2H3BO3
- log_k 9.840
-
-Otavite 315
- CdCO3 = Cd+2 + CO3-2
- log_k -12.1
- delta_h -0.019 kcal
-
-CdCl2 316
- CdCl2 = Cd+2 + 2Cl-
- log_k -0.68
- delta_h -4.47 kcal
-
-CdCl2:H2O 317
- CdCl2:H2O = Cd+2 + 2Cl- + H2O
- log_k -1.71
- delta_h -1.82 kcal
-
-CdCl2:2.5H2O 318
- CdCl2:2.5H2O = Cd+2 + 2Cl- + 2.5H2O
- log_k -1.940
- delta_h 1.710 kcal
-
-CdF2 319
- CdF2 = Cd+2 + 2F-
- log_k -2.980
- delta_h -9.720 kcal
-
-Cd(OH)2(a) 320
- Cd(OH)2 + 2H+ = Cd+2 + 2H2O
- log_k 13.730
- delta_h -20.770 kcal
-
-Cd(OH)2 321
- Cd(OH)2 + 2H+ = Cd+2 + 2H2O
- log_k 13.65
-
-CdOHCl 322
- CdOHCl + H+ = Cd+2 + H2O + Cl-
- log_k 3.520
- delta_h -7.407 kcal
-
-Cd3(OH)4SO4 323
- Cd3(OH)4SO4 + 4H+ = 3Cd+2 + 4H2O + SO4-2
- log_k 22.560
-
-Cd3(OH)2(SO4)2 324
- Cd3(OH)2(SO4)2 + 2H+ = 3Cd+2 + 2H2O + 2SO4-2
- log_k 6.710
-
-Cd4(OH)6SO4 325
- Cd4(OH)6SO4 + 6H+ = 4Cd+2 + 6H2O + SO4-2
- log_k 28.4
-
-Monteponite 326
- CdO + 2H+ = Cd+2 + H2O
- log_k 13.770
- delta_h -24.760 kcal
-
-Cd3(PO4)2 327
- Cd3(PO4)2 = 3Cd+2 + 2PO4-3
- log_k -32.6
-
-CdSiO3 328
- CdSiO3 + H2O + 2H+ = Cd+2 + H4SiO4
- log_k 9.06
- delta_h -16.63 kcal
-
-CdSO4 329
- CdSO4 = Cd+2 + SO4-2
- log_k -0.1
- delta_h -14.74 kcal
-
-CdSO4:H2O 330
- CdSO4:H2O = Cd+2 + SO4-2 + H2O
- log_k -1.657
- delta_h -7.520 kcal
-
-CdSO4:2.7H2O 331
- CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67H2O
- log_k -1.873
- delta_h -4.3 kcal
-
-Greenockite 332
- CdS + H+ = Cd+2 + HS-
- log_k -15.930
- delta_h 16.360 kcal
-
-JarositeH 337
- (H3O)Fe3(SO4)2(OH)6 + 5H+ = 3Fe+3 + 2SO4-2 + 7H2O
- log_k -5.390
- delta_h -55.150 kcal
-
-AlumK 338
- KAl(SO4)2:12H2O = K+ + Al+3 + 2SO4-2 + 12H2O
- log_k -5.170
- delta_h 7.220 kcal
-
-Melanterite 339
- FeSO4:7H2O = Fe+2 + SO4-2 + 7H2O
- log_k -2.209
- delta_h 4.91 kcal
- -analytical 1.447 -0.004153 0.0 0.0 -214949.0
-
-Epsomite 340
- MgSO4:7H2O = Mg+2 + SO4-2 + 7H2O
- log_k -2.140
- delta_h 2.820 kcal
-
-PbMetal 360
- Pb = Pb+2 + 2e-
- log_k 4.270
- delta_h 0.4 kcal
-
-Pb(BO2)2 361
- Pb(BO2)2 + 2H2O + 2H+ = Pb+2 + 2H3BO3
- log_k 7.610
- delta_h -5.8 kcal
-
-Cotunnite 362
- PbCl2 = Pb+2 + 2Cl-
- log_k -4.770
- delta_h 5.6 kcal
-
-Matlockite 363
- PbClF = Pb+2 + Cl- + F-
- log_k -9.430
- delta_h 7.950 kcal
-
-Phosgenite 364
- PbCl2:PbCO3 = 2Pb+2 + 2Cl- + CO3-2
- log_k -19.810
-
-Cerrusite 365
- PbCO3 = Pb+2 + CO3-2
- log_k -13.13
- delta_h 4.86 kcal
-
-PbF2 366
- PbF2 = Pb+2 + 2F-
- log_k -7.440
- delta_h -0.7 kcal
-
-Massicot 367
- PbO + 2H+ = Pb+2 + H2O
- log_k 12.910
- delta_h -16.780 kcal
-
-Litharge 368
- PbO + 2H+ = Pb+2 + H2O
- log_k 12.720
- delta_h -16.380 kcal
-
-PbO:0.3H2O 369
- PbO:0.33H2O + 2H+ = Pb+2 + 1.33H2O
- log_k 12.980
-
-Pb2OCO3 370
- PbO:PbCO3 + 2H+ = 2Pb+2 + CO3-2 + H2O
- log_k -0.5
- delta_h -11.460 kcal
-
-Larnakite 371
- PbO:PbSO4 + 2H+ = 2Pb+2 + SO4-2 + H2O
- log_k -0.280
- delta_h -6.440 kcal
-
-Pb3O2SO4 372
- PbSO4:2PbO + 4H+ = 3Pb+2 + SO4-2 + 2H2O
- log_k 10.4
- delta_h -20.750 kcal
-
-Pb4O3SO4 373
- PbSO4:3PbO + 6H+ = 4Pb+2 + SO4-2 + 3H2O
- log_k 22.1
- delta_h -35.070 kcal
-
-PbHPO4 374
- PbHPO4 = Pb+2 + HPO4-2
- log_k -11.460
- delta_h 7.040 kcal
-
-Pb3(PO4)2 375
- Pb3(PO4)2 + 2H+ = 3Pb+2 + 2HPO4-2
- log_k -19.670
- delta_h -1.670 kcal
-
-Clpyromorphite 376
- Pb5(PO4)3Cl = 5Pb+2 + 3PO4-3 + Cl-
- log_k -84.430
-
-Hxypyromorphite 377
- Pb5(PO4)3OH + H+ = 5Pb+2 + 3PO4-3 + H2O
- log_k -62.790
-
-Pb3O2CO3 378
- PbCO3:2PbO + 4H+ = 3Pb+2 + CO3-2 + 2H2O
- log_k 11.020
- delta_h -26.430 kcal
-
-Plumbogummite 379
- PbAl3(PO4)2(OH)5:H2O + 5H+ = Pb+2 + 3Al+3 + 2PO4-3 + 6H2O
- log_k -32.790
-
-Hinsdalite 380
- PbAl3PO4SO4(OH)6 + 6H+ = Pb+2 + 3Al+3 + PO4-3 + SO4-2 + 6H2O
- log_k -2.5
-
-Tsumebite 381
- Pb2CuPO4(OH)3:3H2O + 3H+ = 2Pb+2 + Cu+2 + PO4-3 + 6H2O
- log_k -9.790
-
-PbSiO3 382
- PbSiO3 + H2O + 2H+ = Pb+2 + H4SiO4
- log_k 7.320
- delta_h -9.260 kcal
-
-Pb2SiO4 383
- Pb2SiO4 + 4H+ = 2Pb+2 + H4SiO4
- log_k 19.760
- delta_h -26.0 kcal
-
-Anglesite 384
- PbSO4 = Pb+2 + SO4-2
- log_k -7.79
- delta_h 2.15 kcal
-
-Galena 385
- PbS + H+ = Pb+2 + HS-
- log_k -12.780
- delta_h 19.4 kcal
-
-Plattnerite 386
- PbO2 + 4H+ + 2e- = Pb+2 + 2H2O
- log_k 49.3
- delta_h -70.730 kcal
-
-Pb2O3 387
- Pb2O3 + 6H+ + 2e- = 2Pb+2 + 3H2O
- log_k 61.040
-
-Minium 388
- Pb3O4 + 8H+ + 2e- = 3Pb+2 + 4H2O
- log_k 73.690
- delta_h -102.760 kcal
-
-Pb(OH)2 389
- Pb(OH)2 + 2H+ = Pb+2 + 2H2O
- log_k 8.15
- delta_h -13.99 kcal
-
-Laurionite 390
- PbOHCl + H+ = Pb+2 + Cl- + H2O
- log_k 0.623
-
-Pb2(OH)3Cl 391
- Pb2(OH)3Cl + 3H+ = 2Pb+2 + 3H2O + Cl-
- log_k 8.793
-
-Hydrocerrusite 392
- Pb(OH)2:2PbCO3 + 2H+ = 3Pb+2 + 2CO3-2 + 2H2O
- log_k -17.460
-
-Pb2O(OH)2 393
- PbO:Pb(OH)2 + 4H+ = 2Pb+2 + 3H2O
- log_k 26.2
-
-Pb4(OH)6SO4 394
- Pb4(OH)6SO4 + 6H+ = 4Pb+2 + SO4-2 + 6H2O
- log_k 21.1
-
-SiO2(a) 395
- SiO2 + 2H2O = H4SiO4
- log_k -2.71
- delta_h 3.34 kcal
- -analytical -0.26 0.0 -731.0 0.0 0.0
-
-FCO3Apatite 396
- Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316Ca+2 + 0.36Na+ + 0.144Mg+2 + 4.8PO4-3 + 1.2CO3-2 + 2.48F-
- log_k -114.4
- delta_h 39.390 kcal
-
-BaF2 398
- BaF2 = Ba+2 + 2F-
- log_k -5.760
- delta_h 1.0 kcal
-
-SrF2 399
- SrF2 = Sr+2 + 2F-
- log_k -8.540
- delta_h 1.250 kcal
-
-Dolomite 401
- CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2
- log_k -17.09
- delta_h -9.436 kcal
-
-Sulfur 402
- S + 2e- = S-2
- log_k -15.026
- delta_h 7.9 kcal
-
-NiCO3 410
- NiCO3 = Ni+2 + CO3-2
- log_k -6.840
- delta_h -9.940 kcal
-
-Ni(OH)2 411
- Ni(OH)2 + 2H+ = Ni+2 + 2H2O
- log_k 10.8
- delta_h 30.450 kcal
-
-Ni4(OH)6SO4 412
- Ni4(OH)6SO4 + 6H+ = 4Ni+2 + SO4-2 + 6H2O
- log_k 32.0
-
-Bunsenite 413
- NiO + 2H+ = Ni+2 + H2O
- log_k 12.450
- delta_h -23.920 kcal
-
-Ni3(PO4)2 414
- Ni3(PO4)2 = 3Ni+2 + 2PO4-3
- log_k -31.3
-
-Millerite 415
- NiS + H+ = Ni+2 + HS-
- log_k -8.042
- delta_h 2.5 kcal
-
-Retgersite 416
- NiSO4:6H2O = Ni+2 + SO4-2 + 6H2O
- log_k -2.040
- delta_h 1.1 kcal
-
-Morenosite 417
- NiSO4:7H2O = Ni+2 + SO4-2 + 7H2O
- log_k -2.360
- delta_h 2.940 kcal
-
-Ni2SiO4 418
- Ni2SiO4 + 4H+ = 2Ni+2 + H4SiO4
- log_k 14.540
- delta_h -33.360 kcal
-
-Fe3(OH)8 419
- Fe3(OH)8 + 8H+ = 2Fe+3 + Fe+2 + 8H2O
- log_k 20.222
-
-Dioptase 420
- CuSiO3:H2O + 2H+ = Cu+2 + H4SiO4
- log_k 6.5
- delta_h -8.960 kcal
-
-AgMetal 437
- Ag = Ag+ + e-
- log_k -13.510
- delta_h 25.234 kcal
-
-Bromyrite 438
- AgBr = Ag+ + Br-
- log_k -12.270
- delta_h 20.170 kcal
-
-Cerargyrite 439
- AgCl = Ag+ + Cl-
- log_k -9.750
- delta_h 15.652 kcal
-
-Ag2CO3 440
- Ag2CO3 = 2Ag+ + CO3-2
- log_k -11.070
- delta_h 9.530 kcal
-
-AgF:4H2O 441
- AgF:4H2O = Ag+ + F- + 4H2O
- log_k 0.550
- delta_h 4.270 kcal
-
-Iodyrite 442
- AgI = Ag+ + I-
- log_k -16.070
- delta_h 26.820 kcal
-
-Ag2O 443
- Ag2O + 2H+ = 2Ag+ + H2O
- log_k 12.580
- delta_h -10.430 kcal
-
-Ag3PO4 444
- Ag3PO4 = 3Ag+ + PO4-3
- log_k -17.550
-
-Acanthite 445
- Ag2S + H+ = 2Ag+ + HS-
- log_k -36.050
- delta_h 53.3 kcal
-
-Ag2SO4 446
- Ag2SO4 = 2Ag+ + SO4-2
- log_k -4.920
- delta_h 4.250 kcal
-
-CuBr 459
- CuBr = Cu+ + Br-
- log_k -8.210
- delta_h 13.080 kcal
-
-CuI 460
- CuI = Cu+ + I-
- log_k -11.890
- delta_h 20.140 kcal
-
-ZnBr2:2H2O 461
- ZnBr2:2H2O = Zn+2 + 2Br- + 2H2O
- log_k 5.210
- delta_h -7.510 kcal
-
-ZnI2 462
- ZnI2 = Zn+2 + 2I-
- log_k 7.230
- delta_h -13.440 kcal
-
-CdBr2:4H2O 463
- CdBr2:4H2O = Cd+2 + 2Br- + 4H2O
- log_k -2.420
- delta_h 7.230 kcal
-
-CdI2 464
- CdI2 = Cd+2 + 2I-
- log_k -3.610
- delta_h 4.080 kcal
-
-PbBr2 465
- PbBr2 = Pb+2 + 2Br-
- log_k -5.180
- delta_h 8.1 kcal
-
-PbBrF 466
- PbBrF = Pb+2 + Br- + F-
- log_k -8.490
-
-PbI2 467
- PbI2 = Pb+2 + 2I-
- log_k -8.070
- delta_h 15.160 kcal
-
-Jurbanite 471
- AlOHSO4 + H+ = Al+3 + SO4-2 + H2O
- log_k -3.230
-
-Basaluminite 472
- Al4(OH)10SO4 + 10H+ = 4Al+3 + SO4-2 + 10H2O
- log_k 22.7
-
-As_native 557
- As + 3H2O = H3AsO3 + 3H+ + 3e-
- log_k -12.532
- delta_h 115.131 kJ
-
-As2O5(cr) 488
- As2O5 + 3H2O = 2H3AsO4
- log_k 8.228
- delta_h -31.619 kJ
-
-AlAsO4:2H2O 489
- AlAsO4:2H2O = Al+3 + AsO4-3 + 2H2O
- log_k -15.837
-
-Ca3(AsO4)2:4w 490
- Ca3(AsO4)2:4H2O = 3Ca+2 + 2AsO4-3 + 4H2O
- log_k -18.905
-
-Cu3(AsO4)2:6w 491
- Cu3(AsO4)2:6H2O = 3Cu+2 + 2AsO4-3 + 6H2O
- log_k -35.123
-
-Scorodite 492
- FeAsO4:2H2O = Fe+3 + AsO4-3 + 2H2O
- log_k -20.249
-
-Mn3(AsO4)2:8H2O 493
- Mn3(AsO4)2:8H2O = 3Mn+2 + 2AsO4-3 + 8H2O
- log_k -28.707
-
-Ni3(AsO4)2:8H2O 494
- Ni3(AsO4)2:8H2O = 3Ni+2 + 2AsO4-3 + 8H2O
- log_k -25.511
-
-Pb3(AsO4)2 495
- Pb3(AsO4)2 = 3Pb+2 + 2AsO4-3
- log_k -35.403
-
-Zn3(AsO4)2:2.5w 496
- Zn3(AsO4)2:2.5H2O = 3Zn+2 + 2AsO4-3 + 2.5H2O
- log_k -27.546
-
-Arsenolite 497
-# As4O6 + 6H2O = 4H3AsO3
-# log_k -2.801
-# delta_h 14.330 kcal
- As2O3 + 3H2O = 2H3AsO3
- log_k -1.38
- delta_h 30.041 kJ
-
-Claudetite 498
-# As4O6 + 6H2O = 4H3AsO3
-# log_k -3.065
-# delta_h 13.290 kcal
- As2O3 + 3H2O = 2H3AsO3
- log_k -1.34
- delta_h 28.443 kJ
-
-AsI3 499
- AsI3 + 3H2O = H3AsO3 + 3I- + 3H+
- log_k 4.155
- delta_h 1.875 kcal
-
-Orpiment 500
- As2S3 + 6H2O = 2H3AsO3 + 3HS- + 3H+
-# log_k -60.971
-# delta_h 82.890 kcal
- log_k -46.3
- delta_h 263.1 kJ
-
-As2S3(am) 132
- As2S3 + 6H2O = 2H3AsO3 + 3HS- + 3H+
- log_k -44.9
- delta_h 244.2 kJ
-
-Realgar 501
- AsS + 3H2O = H3AsO3 + HS- + 2H+ + e-
-# log_k -19.747
-# delta_h 30.545 kcal
- log_k -19.944
- delta_h 129.2625 kJ
-
-BlaubleiI 533
- Cu0.9Cu0.2S + H+ = 0.9Cu+2 + 0.2Cu+ + HS-
- log_k -24.162
-
-BlaubleiII 534
- Cu0.6Cu0.8S + H+ = 0.6Cu+2 + 0.8Cu+ + HS-
- log_k -27.279
-
-Anilite 535
- Cu0.25Cu1.5S + H+ = 0.25Cu+2 + 1.5Cu+ + HS-
- log_k -31.878
- delta_h 43.535 kcal
-
-Djurleite 536
- Cu0.066Cu1.868S + H+ = 0.066Cu+2 + 1.868Cu+ + HS-
- log_k -33.920
- delta_h 47.881 kcal
-
-Portlandite 539
- Ca(OH)2 + 2H+ = Ca+2 + 2H2O
- log_k 22.8
- delta_h -31.0 kcal
-
-Ba3(AsO4)2 541
- Ba3(AsO4)2 = 3Ba+2 + 2AsO4-3
- log_k -50.110
- delta_h 9.5 kcal
-
-Se(s) 550
- Se + H+ + 2e- = HSe-
- log_k -17.322
-
-#SemetalSe4 551
-# Se + 3H2O = SeO3-2 + 6H+ + 4e-
-# log_k -59.836
-
-FeSe2 552
- FeSe2 + 2H+ + 2e- = Fe+2 + 2HSe-
- log_k -18.580
-
-SeO2 553
- SeO2 + H2O = SeO3-2 + 2H+
- log_k -8.380
-
-CaSeO3 554
- CaSeO3 = Ca+2 + SeO3-2
- log_k -5.6
-
-BaSeO3 555
- BaSeO3 = Ba+2 + SeO3-2
- log_k -6.390
-
-Fe2(SeO3)3 556
- Fe2(SeO3)3 = 2Fe+3 + 3SeO3-2
- log_k -35.430
-
-Rhodochrosite 564
- MnCO3 = Mn+2 + CO3-2
- log_k -11.13
- delta_h -1.43 kcal
-
-Na4UO2(CO3)3 571
- Na4UO2(CO3)3 = 4Na+ + UO2+2 + 3CO3-2
- log_k -16.290
-
-Uraninite(c) 573
- UO2 + 4H+ = U+4 + 2H2O
- log_k -4.8
- delta_h -18.610 kcal
-
-UO2(a) 574
- UO2 + 4H+ = U+4 + 2H2O
- log_k 0.1
-
-U4O9(c) 575
- U4O9 + 18H+ + 2e- = 4U+4 + 9H2O
- log_k -3.384
- delta_h -101.235 kcal
-
-U3O8(c) 576
- U3O8 + 16H+ + 4e- = 3U+4 + 8H2O
- log_k 20.530
- delta_h -116.0 kcal
-
-Coffinite 577
- USiO4 + 4H+ = U+4 + H4SiO4
- log_k -7.670
- delta_h -11.6 kcal
-
-UF4(c) 584
- UF4 = U+4 + 4F-
- log_k -18.606
- delta_h -18.9 kcal
-
-UF4:2.5H2O 585
- UF4:2.5H2O = U+4 + 4F- + 2.5H2O
- log_k -27.570
- delta_h -0.588 kcal
-
-U(OH)2SO4 591
- U(OH)2SO4 + 2H+ = U+4 + SO4-2 + 2H2O
- log_k -3.2
-
-UO2HPO4:4H2O 592
- UO2HPO4:4H2O = UO2+2 + HPO4-2 + 4H2O
- log_k -11.850
-
-U(HPO4)2:4H2O 593
- U(HPO4)2:4H2O = U+4 + 2PO4-3 + 2H+ + 4H2O
- log_k -55.3
- delta_h 3.840 kcal
-
-Ningyoite 594
- CaU(PO4)2:2H2O = U+4 + Ca+2 + 2PO4-3 + 2H2O
- log_k -53.906
- delta_h -2.270 kcal
-
-UO3(gamma) 599
- UO3 + 2H+ = UO2+2 + H2O
- log_k 7.719
- delta_h -19.315 kcal
-
-Gummite 600
- UO3 + 2H+ = UO2+2 + H2O
- log_k 10.403
- delta_h -23.015 kcal
-
-B-UO2(OH)2 601
- UO2(OH)2 + 2H+ = UO2+2 + 2H2O
- log_k 5.544
- delta_h -13.730 kcal
-
-Schoepite 602
- UO2(OH)2:H2O + 2H+ = UO2+2 + 3H2O
- log_k 5.404
- delta_h -12.045 kcal
-
-Rutherfordine 606
- UO2CO3 = UO2+2 + CO3-2
- log_k -14.450
- delta_h -1.440 kcal
-
-(UO2)3(PO4)2:4w 619
- (UO2)3(PO4)2:4H2O = 3UO2+2 + 2PO4-3 + 4H2O
- log_k -37.4
- delta_h 41.5 kcal
-
-H-Autunite 620
- H2(UO2)2(PO4)2 = 2H+ + 2UO2+2 + 2PO4-3
- log_k -47.931
- delta_h -3.6 kcal
-
-Na-Autunite 621
- Na2(UO2)2(PO4)2 = 2Na+ + 2UO2+2 + 2PO4-3
- log_k -47.409
- delta_h -0.460 kcal
-
-K-Autunite 622
- K2(UO2)2(PO4)2 = 2K+ + 2UO2+2 + 2PO4-3
- log_k -48.244
- delta_h 5.860 kcal
-
-Uramphite 623
- (NH4)2(UO2)2(PO4)2 = 2NH4+ + 2UO2+2 + 2PO4-3
- log_k -51.749
- delta_h 9.7 kcal
-
-Saleeite 624
- Mg(UO2)2(PO4)2 = Mg+2 + 2UO2+2 + 2PO4-3
- log_k -43.646
- delta_h -20.180 kcal
-
-Autunite 625
- Ca(UO2)2(PO4)2 = Ca+2 + 2UO2+2 + 2PO4-3
- log_k -43.927
- delta_h -14.340 kcal
-
-Sr-Autunite 626
- Sr(UO2)2(PO4)2 = Sr+2 + 2UO2+2 + 2PO4-3
- log_k -44.457
- delta_h -13.050 kcal
-
-Uranocircite 627
- Ba(UO2)2(PO4)2 = Ba+2 + 2UO2+2 + 2PO4-3
- log_k -44.631
- delta_h -10.1 kcal
-
-Bassetite 628
- Fe(UO2)2(PO4)2 = Fe+2 + 2UO2+2 + 2PO4-3
- log_k -44.485
- delta_h -19.9 kcal
-
-Torbernite 629
- Cu(UO2)2(PO4)2 = Cu+2 + 2UO2+2 + 2PO4-3
- log_k -45.279
- delta_h -15.9 kcal
-
-Przhevalskite 630
- Pb(UO2)2(PO4)2 = Pb+2 + 2UO2+2 + 2PO4-3
- log_k -44.365
- delta_h -11.0 kcal
-
-Uranophane 632
- Ca(UO2)2(SiO3OH)2 + 6H+ = Ca+2 + 2UO2+2 + 2H4SiO4
- log_k 17.489
-
-CO2(g)
- CO2 = CO2
- log_k -1.468
- delta_h -4.776 kcal
- -analytical 108.3865 0.01985076 -6919.53 -40.45154 669365.0
-
-O2(g)
- O2 = O2
-# log_k -2.960
-# delta_h -1.844 kcal
- # log K from llnl.dat Aug 23, 2005
- log_k -2.8983
- -analytic -7.5001e+000 7.8981e-003 0.0000e+000 0.0000e+000 2.0027e+005
-
-H2(g)
- H2 = H2
- log_k -3.150
- delta_h -1.759 kcal
-
-N2(g)
- N2 = N2
- log_k -3.260
- delta_h -1.358 kcal
-
-H2S(g)
- H2S = H2S
- log_k -0.997
- delta_h -4.570 kcal
-
-CH4(g)
- CH4 = CH4
- log_k -2.860
- delta_h -3.373 kcal
-
-NH3(g)
- NH3 = NH3
- log_k 1.770
- delta_h -8.170 kcal
-
-EXCHANGE_MASTER_SPECIES
- X X-
-
-EXCHANGE_SPECIES
- X- = X-
- log_k 0.0
-
- Na+ + X- = NaX
- log_k 0.0
-
- K+ + X- = KX
- log_k 0.7
-
- Li+ + X- = LiX
- log_k -0.08
-
- H+ + X- = HX
- log_k 1.0
-
- NH4+ + X- = NH4X
- log_k 0.6
-
- Ca+2 + 2X- = CaX2
- log_k 0.8
-
- Mg+2 + 2X- = MgX2
- log_k 0.6
-
- Sr+2 + 2X- = SrX2
- log_k 0.91
-
- Ba+2 + 2X- = BaX2
- log_k 0.91
-
- Mn+2 + 2X- = MnX2
- log_k 0.52
-
- Fe+2 + 2X- = FeX2
- log_k 0.44
-
- Cu+2 + 2X- = CuX2
- log_k 0.6
-
- Zn+2 + 2X- = ZnX2
- log_k 0.8
-
- Cd+2 + 2X- = CdX2
- log_k 0.8
-
- Pb+2 + 2X- = PbX2
- log_k 1.05
-
- Al+3 + 3X- = AlX3
- log_k 0.67
-
-SURFACE_MASTER_SPECIES
- Hfo_s Hfo_sOH
- Hfo_w Hfo_wOH
-SURFACE_SPECIES
-# All surface data from
-# Dzombak and Morel, 1990
-#
-#
-# Acid-base data from table 5.7
-#
-# strong binding site--Hfo_s,
-
- Hfo_sOH = Hfo_sOH
- log_k 0.0
-
- Hfo_sOH + H+ = Hfo_sOH2+
- log_k 7.29 # = pKa1,int
-
- Hfo_sOH = Hfo_sO- + H+
- log_k -8.93 # = -pKa2,int
-
-# weak binding site--Hfo_w
-
- Hfo_wOH = Hfo_wOH
- log_k 0.0
-
- Hfo_wOH + H+ = Hfo_wOH2+
- log_k 7.29 # = pKa1,int
-
- Hfo_wOH = Hfo_wO- + H+
- log_k -8.93 # = -pKa2,int
-
-###############################################
-# CATIONS #
-###############################################
-#
-# Cations from table 10.1 or 10.5
-#
-# Calcium
- Hfo_sOH + Ca+2 = Hfo_sOHCa+2
- log_k 4.97
-
- Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+
- log_k -5.85
-# Strontium
- Hfo_sOH + Sr+2 = Hfo_sOHSr+2
- log_k 5.01
-
- Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+
- log_k -6.58
-
- Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+
- log_k -17.60
-# Barium
- Hfo_sOH + Ba+2 = Hfo_sOHBa+2
- log_k 5.46
-
- Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+
- log_k -7.2 # table 10.5
-#
-# Cations from table 10.2
-#
-# Silver
- Hfo_sOH + Ag+ = Hfo_sOAg + H+
- log_k -1.72
-
- Hfo_wOH + Ag+ = Hfo_wOAg + H+
- log_k -5.3 # table 10.5
-# Nickel
- Hfo_sOH + Ni+2 = Hfo_sONi+ + H+
- log_k 0.37
-
- Hfo_wOH + Ni+2 = Hfo_wONi+ + H+
- log_k -2.5 # table 10.5
-# Cadmium
- Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+
- log_k 0.47
-
- Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+
- log_k -2.91
-# Zinc
- Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+
- log_k 0.99
-
- Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+
- log_k -1.99
-# Copper
- Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+
- log_k 2.89
-
- Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+
- log_k 0.6 # table 10.5
-# Lead
- Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+
- log_k 4.65
-
- Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+
- log_k 0.3 # table 10.5
-#
-# Derived constants table 10.5
-#
-# Magnesium
- Hfo_wOH + Mg+2 = Hfo_wOMg+ + H+
- log_k -4.6
-
-# Manganese
- Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+
- log_k -0.4 # table 10.5
-
- Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+
- log_k -3.5 # table 10.5
-
-# Uranyl
- Hfo_sOH + UO2+2 = Hfo_sOUO2+ + H+
- log_k 5.2 # table 10.5
-
- Hfo_wOH + UO2+2 = Hfo_wOUO2+ + H+
- log_k 2.8 # table 10.5
-
-# Iron
-# Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+
-# log_k 0.7 # LFER using table 10.5
-
-# Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+
-# log_k -2.5 # LFER using table 10.5
-
-
-# Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, subm.
- Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+
- log_k -0.95
-# Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M
- Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+
- log_k -2.98
-
- Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2H+
- log_k -11.55
-
-###############################################
-# ANIONS #
-###############################################
-#
-# Anions from table 10.6
-#
-# Phosphate
- Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O
- log_k 31.29
-
- Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O
- log_k 25.39
-
- Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O
- log_k 17.72
-# Arsenate
- Hfo_wOH + AsO4-3 + 3H+ = Hfo_wH2AsO4 + H2O
- log_k 29.31
-
- Hfo_wOH + AsO4-3 + 2H+ = Hfo_wHAsO4- + H2O
- log_k 23.51
-
- Hfo_wOH + AsO4-3 = Hfo_wOHAsO4-3
- log_k 10.58
-#
-# Anions from table 10.7
-#
-# Arsenite
- Hfo_wOH + H3AsO3 = Hfo_wH2AsO3 + H2O
- log_k 5.41
-# Borate
- Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O
- log_k 0.62
-#
-# Anions from table 10.8
-#
-# Sulfate
- Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O
- log_k 7.78
-
- Hfo_wOH + SO4-2 = Hfo_wOHSO4-2
- log_k 0.79
-# Selenate
- Hfo_wOH + SeO4-2 + H+ = Hfo_wSeO4- + H2O
- log_k 7.73
-
- Hfo_wOH + SeO4-2 = Hfo_wOHSeO4-2
- log_k 0.80
-# Selenite
- Hfo_wOH + SeO3-2 + H+ = Hfo_wSeO3- + H2O
- log_k 12.69
-
- Hfo_wOH + SeO3-2 = Hfo_wOHSeO3-2
- log_k 5.17
-#
-# Derived constants table 10.10
-#
- Hfo_wOH + F- + H+ = Hfo_wF + H2O
- log_k 8.7
-
- Hfo_wOH + F- = Hfo_wOHF-
- log_k 1.6
-#
-# Carbonate: Van Geen et al., 1994 reoptimized for HFO
-# 0.15 g HFO/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L
-#
-# Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O
-# log_k 12.56
-#
-# Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O
-# log_k 20.62
-
-RATES
-
-###########
-#K-feldspar
-###########
-#
-# Sverdrup, H.U., 1990, The kinetics of base cation release due to
-# chemical weathering: Lund University Press, Lund, 246 p.
-#
-# Example of KINETICS data block for K-feldspar rate:
-# KINETICS 1
-# K-feldspar
-# -m0 2.16 # 10% K-fsp, 0.1 mm cubes
-# -m 1.94
-# -parms 1.36e4 0.1
-
-K-feldspar
- -start
- 1 rem specific rate from Sverdrup, 1990, in kmol/m2/s
- 2 rem parm(1) = 10 * (A/V, 1/dm) (recalc's sp. rate to mol/kgw)
- 3 rem parm(2) = corrects for field rate relative to lab rate
- 4 rem temp corr: from p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/298)
-
- 10 dif_temp = 1/TK - 1/298
- 20 pk_H = 12.5 + 3134 * dif_temp
- 30 pk_w = 15.3 + 1838 * dif_temp
- 40 pk_OH = 14.2 + 3134 * dif_temp
- 50 pk_CO2 = 14.6 + 1677 * dif_temp
- #60 pk_org = 13.9 + 1254 * dif_temp # rate increase with DOC
- 70 rate = 10^-pk_H * ACT("H+")^0.5 + 10^-pk_w + 10^-pk_OH * ACT("OH-")^0.3
- 71 rate = rate + 10^-pk_CO2 * (10^SI("CO2(g)"))^0.6
- #72 rate = rate + 10^-pk_org * TOT("Doc")^0.4
- 80 moles = parm(1) * parm(2) * rate * (1 - SR("K-feldspar")) * time
- 81 rem decrease rate on precipitation
- 90 if SR("K-feldspar") > 1 then moles = moles * 0.1
- 100 save moles
- -end
-
-###########
-#Albite
-###########
-#
-# Sverdrup, H.U., 1990, The kinetics of base cation release due to
-# chemical weathering: Lund University Press, Lund, 246 p.
-#
-# Example of KINETICS data block for Albite rate:
-# KINETICS 1
-# Albite
-# -m0 0.43 # 2% Albite, 0.1 mm cubes
-# -parms 2.72e3 0.1
-
-Albite
- -start
- 1 rem specific rate from Sverdrup, 1990, in kmol/m2/s
- 2 rem parm(1) = 10 * (A/V, 1/dm) (recalc's sp. rate to mol/kgw)
- 3 rem parm(2) = corrects for field rate relative to lab rate
- 4 rem temp corr: from p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/298)
-
- 10 dif_temp = 1/TK - 1/298
- 20 pk_H = 12.5 + 3359 * dif_temp
- 30 pk_w = 14.8 + 2648 * dif_temp
- 40 pk_OH = 13.7 + 3359 * dif_temp
- #41 rem ^12.9 in Sverdrup, but larger than for oligoclase...
- 50 pk_CO2 = 14.0 + 1677 * dif_temp
- #60 pk_org = 12.5 + 1254 * dif_temp # ...rate increase for DOC
- 70 rate = 10^-pk_H * ACT("H+")^0.5 + 10^-pk_w + 10^-pk_OH * ACT("OH-")^0.3
- 71 rate = rate + 10^-pk_CO2 * (10^SI("CO2(g)"))^0.6
- #72 rate = rate + 10^-pk_org * TOT("Doc")^0.4
- 80 moles = parm(1) * parm(2) * rate * (1 - SR("Albite")) * time
- 81 rem decrease rate on precipitation
- 90 if SR("Albite") > 1 then moles = moles * 0.1
- 100 save moles
- -end
-
-########
-#Calcite
-########
-#
-# Plummer, L.N., Wigley, T.M.L., and Parkhurst, D.L., 1978,
-# American Journal of Science, v. 278, p. 179-216.
-#
-# Example of KINETICS data block for calcite rate:
-#
-# KINETICS 1
-# Calcite
-# -tol 1e-8
-# -m0 3.e-3
-# -m 3.e-3
-# -parms 5.0 0.6
-Calcite
- -start
- 1 REM Modified from Plummer and others, 1978
- 2 REM M = current moles of calcite
- 3 REM M0 = initial moles of calcite
- 4 REM parm(1) = Area/Volume, cm^2/L (or cm^2 per cell)
- 5 REM parm(2) = exponent for M/M0 for surface area correction
- 10 REM rate = 0 if no calcite and undersaturated
- 20 si_cc = SI("Calcite")
- 30 if (M <= 0 and si_cc < 0) then goto 300
- 40 k1 = 10^(0.198 - 444.0 / TK )
- 50 k2 = 10^(2.84 - 2177.0 / TK )
- 60 if TC <= 25 then k3 = 10^(-5.86 - 317.0 / TK )
- 70 if TC > 25 then k3 = 10^(-1.1 - 1737.0 / TK )
- 80 REM surface area calculation
- 90 t = 1
- 100 if M0 > 0 then t = M/M0
- 110 if t = 0 then t = 1
- 120 area = PARM(1) * (t)^PARM(2)
- 130 rf = k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O")
- 140 REM 1e-3 converts mmol to mol
- 150 rate = area * 1e-3 * rf * (1 - 10^(2/3*si_cc))
- 160 moles = rate * TIME
- 170 REM do not dissolve more calcite than present
- 180 if (moles > M) then moles = M
- 190 if (moles >= 0) then goto 300
- 200 REM do not precipitate more Ca or C(4) than present
- 210 temp = TOT("Ca")
- 220 mc = TOT("C(4)")
- 230 if mc < temp then temp = mc
- 240 if -moles > temp then moles = -temp
- 300 SAVE moles
- -end
-
-#######
-#Pyrite
-#######
-#
-# Williamson, M.A. and Rimstidt, J.D., 1994,
-# Geochimica et Cosmochimica Acta, v. 58, p. 5443-5454.
-#
-# Example of KINETICS data block for pyrite rate:
-# KINETICS 1
-# Pyrite
-# -tol 1e-8
-# -m0 5.e-4
-# -m 5.e-4
-# -parms 2.0 0.67 .5 -0.11
-Pyrite
- -start
- 1 rem Williamson and Rimstidt, 1994
- 2 rem parm(1) = log10(A/V, 1/dm) parm(2) = exp for (m/m0)
- 3 rem parm(3) = exp for O2 parm(4) = exp for H+
-
- 10 if (m <= 0) then goto 200
- 20 if (si("Pyrite") >= 0) then goto 200
- 25 rate = -10.19 + parm(1) + parm(3)*lm("O2") + parm(4)*lm("H+") + parm(2)*log10(m/m0)
- 30 moles = 10^rate * time
- 40 if (moles > m) then moles = m
- 200 save moles
- -end
-
-##########
-#Organic_C
-##########
-#
-# Example of KINETICS data block for Organic_C rate:
-# KINETICS 1
-# Organic_C
-# -tol 1e-8
-# # m in mol/kgw
-# -m0 5e-3
-# -m 5e-3
-Organic_C
- -start
- 1 rem Additive Monod kinetics
- 2 rem Electron acceptors: O2, NO3, and SO4
-
- 10 if (m <= 0) then goto 200
- 20 mO2 = mol("O2")
- 30 mNO3 = tot("N(5)")
- 40 mSO4 = tot("S(6)")
- 50 rate = 1.57e-9*mO2/(2.94e-4 + mO2) + 1.67e-11*mNO3/(1.55e-4 + mNO3)
- 60 rate = rate + 1.e-13*mSO4/(1.e-4 + mSO4)
- 70 moles = rate * m * (m/m0) * time
- 80 if (moles > m) then moles = m
- 200 save moles
- -end
-
-###########
-#Pyrolusite
-###########
-#
-# Postma, D. and Appelo, C.A.J., 2000, GCA 64, in press
-#
-# Example of KINETICS data block for Pyrolusite
-# KINETICS 1-12
-# Pyrolusite
-# -tol 1.e-7
-# -m0 0.1
-# -m 0.1
-Pyrolusite
- -start
- 5 if (m <= 0.0) then goto 200
- 7 sr_pl = sr("Pyrolusite")
- 9 if abs(1 - sr_pl) < 0.1 then goto 200
- 10 if (sr_pl > 1.0) then goto 100
- #20 rem initially 1 mol Fe+2 = 0.5 mol pyrolusite. k*A/V = 1/time (3 cells)
- #22 rem time (3 cells) = 1.432e4. 1/time = 6.98e-5
- 30 Fe_t = tot("Fe(2)")
- 32 if Fe_t < 1.e-8 then goto 200
- 40 moles = 6.98e-5 * Fe_t * (m/m0)^0.67 * time * (1 - sr_pl)
- 50 if moles > Fe_t / 2 then moles = Fe_t / 2
- 70 if moles > m then moles = m
- 90 goto 200
- 100 Mn_t = tot("Mn")
- 110 moles = 2e-3 * 6.98e-5 * (1-sr_pl) * time
- 120 if moles <= -Mn_t then moles = -Mn_t
- 200 save moles
- -end
-SURFACE_MASTER_SPECIES
-# Monodentate 60%
- H_a H_aH; H_b H_bH; H_c H_cH; H_d H_dH
- H_e H_eH; H_f H_fH; H_g H_gH; H_h H_hH
-# Diprotic 40%
- H_ab H_abH2; H_ad H_adH2; H_af H_afH2; H_ah H_ahH2
- H_bc H_bcH2; H_be H_beH2; H_bg H_bgH2; H_cd H_cdH2
- H_cf H_cfH2; H_ch H_chH2; H_de H_deH2; H_dg H_dgH2
-SURFACE_SPECIES
- H_aH = H_aH; log_k 0; H_bH = H_bH; log_k 0; H_cH = H_cH; log_k 0; H_dH = H_dH; log_k 0;
- H_eH = H_eH; log_k 0; H_fH = H_fH; log_k 0; H_gH = H_gH; log_k 0; H_hH = H_hH; log_k 0;
-
- H_abH2 = H_abH2; log_k 0; H_adH2 = H_adH2; log_k 0; H_afH2 = H_afH2; log_k 0;
- H_ahH2 = H_ahH2; log_k 0; H_bcH2 = H_bcH2; log_k 0; H_beH2 = H_beH2; log_k 0;
- H_bgH2 = H_bgH2; log_k 0; H_cdH2 = H_cdH2; log_k 0; H_cfH2 = H_cfH2; log_k 0;
- H_chH2 = H_chH2; log_k 0; H_deH2 = H_deH2; log_k 0; H_dgH2 = H_dgH2; log_k 0;
-# Protons
- H_aH = H_a- + H+; log_k -1.59
- H_bH = H_b- + H+; log_k -2.70
- H_cH = H_c- + H+; log_k -3.82
- H_dH = H_d- + H+; log_k -4.93
-
- H_eH = H_e- + H+; log_k -6.88
- H_fH = H_f- + H+; log_k -8.72
- H_gH = H_g- + H+; log_k -10.56
- H_hH = H_h- + H+; log_k -12.40
-
- H_abH2 = H_abH- + H+; log_k -1.59; H_abH- = H_ab-2 + H+; log_k -2.70
- H_adH2 = H_adH- + H+; log_k -1.59; H_adH- = H_ad-2 + H+; log_k -4.93
- H_afH2 = H_afH- + H+; log_k -1.59; H_afH- = H_af-2 + H+; log_k -8.72
- H_ahH2 = H_ahH- + H+; log_k -1.59; H_ahH- = H_ah-2 + H+; log_k -12.40
- H_bcH2 = H_bcH- + H+; log_k -2.70; H_bcH- = H_bc-2 + H+; log_k -3.82
- H_beH2 = H_beH- + H+; log_k -2.70; H_beH- = H_be-2 + H+; log_k -6.88
- H_bgH2 = H_bgH- + H+; log_k -2.70; H_bgH- = H_bg-2 + H+; log_k -10.56
- H_cdH2 = H_cdH- + H+; log_k -3.82; H_cdH- = H_cd-2 + H+; log_k -4.93
- H_cfH2 = H_cfH- + H+; log_k -3.82; H_cfH- = H_cf-2 + H+; log_k -8.72
- H_chH2 = H_chH- + H+; log_k -3.82; H_chH- = H_ch-2 + H+; log_k -12.40
- H_deH2 = H_deH- + H+; log_k -4.93; H_deH- = H_de-2 + H+; log_k -6.88
- H_dgH2 = H_dgH- + H+; log_k -4.93; H_dgH- = H_dg-2 + H+; log_k -10.56
-# Mg From Lofts and Tipping, 2000
- H_aH + Mg+2 = H_aMg+ + H+; log_k -3.30
- H_bH + Mg+2 = H_bMg+ + H+; log_k -3.30
- H_cH + Mg+2 = H_cMg+ + H+; log_k -3.30
- H_dH + Mg+2 = H_dMg+ + H+; log_k -3.30
-
- H_eH + Mg+2 = H_eMg+ + H+; log_k -7.12
- H_fH + Mg+2 = H_fMg+ + H+; log_k -7.12
- H_gH + Mg+2 = H_gMg+ + H+; log_k -7.12
- H_hH + Mg+2 = H_hMg+ + H+; log_k -7.12
-
- H_abH2 + Mg+2 = H_abMg + 2H+; log_k -6.60
- H_adH2 + Mg+2 = H_adMg + 2H+; log_k -6.60
- H_afH2 + Mg+2 = H_afMg + 2H+; log_k -10.42
- H_ahH2 + Mg+2 = H_ahMg + 2H+; log_k -10.42
- H_bcH2 + Mg+2 = H_bcMg + 2H+; log_k -6.60
- H_beH2 + Mg+2 = H_beMg + 2H+; log_k -10.42
- H_bgH2 + Mg+2 = H_bgMg + 2H+; log_k -10.42
- H_cdH2 + Mg+2 = H_cdMg + 2H+; log_k -6.60
- H_cfH2 + Mg+2 = H_cfMg + 2H+; log_k -10.42
- H_chH2 + Mg+2 = H_chMg + 2H+; log_k -10.42
- H_deH2 + Mg+2 = H_deMg + 2H+; log_k -10.42
- H_dgH2 + Mg+2 = H_dgMg + 2H+; log_k -10.42
-# Calcium, Lofts and Tipping, 2000
- H_aH + Ca+2 = H_aCa+ + H+; log_k -3.20
- H_bH + Ca+2 = H_bCa+ + H+; log_k -3.20
- H_cH + Ca+2 = H_cCa+ + H+; log_k -3.20
- H_dH + Ca+2 = H_dCa+ + H+; log_k -3.20
-
- H_eH + Ca+2 = H_eCa+ + H+; log_k -6.99
- H_fH + Ca+2 = H_fCa+ + H+; log_k -6.99
- H_gH + Ca+2 = H_gCa+ + H+; log_k -6.99
- H_hH + Ca+2 = H_hCa+ + H+; log_k -6.99
-
- H_abH2 + Ca+2 = H_abCa + 2H+; log_k -6.40
- H_adH2 + Ca+2 = H_adCa + 2H+; log_k -6.40
- H_afH2 + Ca+2 = H_afCa + 2H+; log_k -7.45
- H_ahH2 + Ca+2 = H_ahCa + 2H+; log_k -10.2
- H_bcH2 + Ca+2 = H_bcCa + 2H+; log_k -6.40
- H_beH2 + Ca+2 = H_beCa + 2H+; log_k -10.2
- H_bgH2 + Ca+2 = H_bgCa + 2H+; log_k -10.2
- H_cdH2 + Ca+2 = H_cdCa + 2H+; log_k -6.40
- H_cfH2 + Ca+2 = H_cfCa + 2H+; log_k -10.2
- H_chH2 + Ca+2 = H_chCa + 2H+; log_k -10.2
- H_deH2 + Ca+2 = H_deCa + 2H+; log_k -10.2
- H_dgH2 + Ca+2 = H_dgCa + 2H+; log_k -10.2
-# Nickel
- H_aH + Ni+2 = H_aNi+ + H+; log_k -1.4
- H_bH + Ni+2 = H_bNi+ + H+; log_k -1.4
- H_cH + Ni+2 = H_cNi+ + H+; log_k -1.4
- H_dH + Ni+2 = H_dNi+ + H+; log_k -1.4
-
- H_eH + Ni+2 = H_eNi+ + H+; log_k -4.5
- H_fH + Ni+2 = H_fNi+ + H+; log_k -4.5
- H_gH + Ni+2 = H_gNi+ + H+; log_k -4.5
- H_hH + Ni+2 = H_hNi+ + H+; log_k -4.5
-
- H_abH2 + Ni+2 = H_abNi + 2H+; log_k -2.8
- H_adH2 + Ni+2 = H_adNi + 2H+; log_k -2.8
- H_afH2 + Ni+2 = H_afNi + 2H+; log_k -5.9
- H_ahH2 + Ni+2 = H_ahNi + 2H+; log_k -5.9
- H_bcH2 + Ni+2 = H_bcNi + 2H+; log_k -2.8
- H_beH2 + Ni+2 = H_beNi + 2H+; log_k -5.9
- H_bgH2 + Ni+2 = H_bgNi + 2H+; log_k -5.9
- H_cdH2 + Ni+2 = H_cdNi + 2H+; log_k -2.8
- H_cfH2 + Ni+2 = H_cfNi + 2H+; log_k -5.9
- H_chH2 + Ni+2 = H_chNi + 2H+; log_k -5.9
- H_deH2 + Ni+2 = H_deNi + 2H+; log_k -5.9
- H_dgH2 + Ni+2 = H_dgNi + 2H+; log_k -5.9
-# Copper
- H_aH + Cu+2 = H_aCu+ + H+; log_k -0.63
- H_bH + Cu+2 = H_bCu+ + H+; log_k -0.63
- H_cH + Cu+2 = H_cCu+ + H+; log_k -0.63
- H_dH + Cu+2 = H_dCu+ + H+; log_k -0.63
-
- H_eH + Cu+2 = H_eCu+ + H+; log_k -3.75
- H_fH + Cu+2 = H_fCu+ + H+; log_k -3.75
- H_gH + Cu+2 = H_gCu+ + H+; log_k -3.75
- H_hH + Cu+2 = H_hCu+ + H+; log_k -3.75
-
- H_abH2 + Cu+2 = H_abCu + 2H+; log_k -1.26
- H_adH2 + Cu+2 = H_adCu + 2H+; log_k -1.26
- H_afH2 + Cu+2 = H_afCu + 2H+; log_k -4.38
- H_ahH2 + Cu+2 = H_ahCu + 2H+; log_k -4.38
- H_bcH2 + Cu+2 = H_bcCu + 2H+; log_k -1.26
- H_beH2 + Cu+2 = H_beCu + 2H+; log_k -4.38
- H_bgH2 + Cu+2 = H_bgCu + 2H+; log_k -4.38
- H_cdH2 + Cu+2 = H_cdCu + 2H+; log_k -1.26
- H_cfH2 + Cu+2 = H_cfCu + 2H+; log_k -4.38
- H_chH2 + Cu+2 = H_chCu + 2H+; log_k -4.38
- H_deH2 + Cu+2 = H_deCu + 2H+; log_k -4.38
- H_dgH2 + Cu+2 = H_dgCu + 2H+; log_k -4.38
-# Zinc
- H_aH + Zn+2 = H_aZn+ + H+; log_k -1.7
- H_bH + Zn+2 = H_bZn+ + H+; log_k -1.7
- H_cH + Zn+2 = H_cZn+ + H+; log_k -1.7
- H_dH + Zn+2 = H_dZn+ + H+; log_k -1.7
-
- H_eH + Zn+2 = H_eZn+ + H+; log_k -4.9
- H_fH + Zn+2 = H_fZn+ + H+; log_k -4.9
- H_gH + Zn+2 = H_gZn+ + H+; log_k -4.9
- H_hH + Zn+2 = H_hZn+ + H+; log_k -4.9
-
- H_abH2 + Zn+2 = H_abZn + 2H+; log_k -2.4
- H_adH2 + Zn+2 = H_adZn + 2H+; log_k -2.4
- H_afH2 + Zn+2 = H_afZn + 2H+; log_k -6.6
- H_ahH2 + Zn+2 = H_ahZn + 2H+; log_k -6.6
- H_bcH2 + Zn+2 = H_bcZn + 2H+; log_k -2.4
- H_beH2 + Zn+2 = H_beZn + 2H+; log_k -6.6
- H_bgH2 + Zn+2 = H_bgZn + 2H+; log_k -6.6
- H_cdH2 + Zn+2 = H_cdZn + 2H+; log_k -2.4
- H_cfH2 + Zn+2 = H_cfZn + 2H+; log_k -6.6
- H_chH2 + Zn+2 = H_chZn + 2H+; log_k -6.6
- H_deH2 + Zn+2 = H_deZn + 2H+; log_k -6.6
- H_dgH2 + Zn+2 = H_dgZn + 2H+; log_k -6.6
-# Cadmium
- H_aH + Cd+2 = H_aCd+ + H+; log_k -1.52
- H_bH + Cd+2 = H_bCd+ + H+; log_k -1.52
- H_cH + Cd+2 = H_cCd+ + H+; log_k -1.52
- H_dH + Cd+2 = H_dCd+ + H+; log_k -1.52
-
- H_eH + Cd+2 = H_eCd+ + H+; log_k -5.57
- H_fH + Cd+2 = H_fCd+ + H+; log_k -5.57
- H_gH + Cd+2 = H_gCd+ + H+; log_k -5.57
- H_hH + Cd+2 = H_hCd+ + H+; log_k -5.57
-
- H_abH2 + Cd+2 = H_abCd + 2H+; log_k -3.04
- H_adH2 + Cd+2 = H_adCd + 2H+; log_k -3.04
- H_afH2 + Cd+2 = H_afCd + 2H+; log_k -7.09
- H_ahH2 + Cd+2 = H_ahCd + 2H+; log_k -7.09
- H_bcH2 + Cd+2 = H_bcCd + 2H+; log_k -3.04
- H_beH2 + Cd+2 = H_beCd + 2H+; log_k -7.09
- H_bgH2 + Cd+2 = H_bgCd + 2H+; log_k -7.09
- H_cdH2 + Cd+2 = H_cdCd + 2H+; log_k -3.04
- H_cfH2 + Cd+2 = H_cfCd + 2H+; log_k -7.09
- H_chH2 + Cd+2 = H_chCd + 2H+; log_k -7.09
- H_deH2 + Cd+2 = H_deCd + 2H+; log_k -7.09
- H_dgH2 + Cd+2 = H_dgCd + 2H+; log_k -7.09
-# Plumbum (Lead)
- H_aH + Pb+2 = H_aPb+ + H+; log_k -0.81
- H_bH + Pb+2 = H_bPb+ + H+; log_k -0.81
- H_cH + Pb+2 = H_cPb+ + H+; log_k -0.81
- H_dH + Pb+2 = H_dPb+ + H+; log_k -0.81
-
- H_eH + Pb+2 = H_ePb+ + H+; log_k -3.04
- H_fH + Pb+2 = H_fPb+ + H+; log_k -3.04
- H_gH + Pb+2 = H_gPb+ + H+; log_k -3.04
- H_hH + Pb+2 = H_hPb+ + H+; log_k -3.04
-
- H_abH2 + Pb+2 = H_abPb + 2H+; log_k -1.62
- H_adH2 + Pb+2 = H_adPb + 2H+; log_k -1.62
- H_afH2 + Pb+2 = H_afPb + 2H+; log_k -3.85
- H_ahH2 + Pb+2 = H_ahPb + 2H+; log_k -3.85
- H_bcH2 + Pb+2 = H_bcPb + 2H+; log_k -1.62
- H_beH2 + Pb+2 = H_bePb + 2H+; log_k -3.85
- H_bgH2 + Pb+2 = H_bgPb + 2H+; log_k -3.85
- H_cdH2 + Pb+2 = H_cdPb + 2H+; log_k -1.62
- H_cfH2 + Pb+2 = H_cfPb + 2H+; log_k -3.85
- H_chH2 + Pb+2 = H_chPb + 2H+; log_k -3.85
- H_deH2 + Pb+2 = H_dePb + 2H+; log_k -3.85
- H_dgH2 + Pb+2 = H_dgPb + 2H+; log_k -3.85
-
-END
diff --git a/Tests/Data/PhreeqcDatabase/Tipping_Hurley.dat b/Tests/Data/PhreeqcDatabase/Tipping_Hurley.dat
new file mode 120000
index 00000000000..7e944910d54
--- /dev/null
+++ b/Tests/Data/PhreeqcDatabase/Tipping_Hurley.dat
@@ -0,0 +1 @@
+../../../ThirdParty/iphreeqc/src/database/Tipping_Hurley.dat
\ No newline at end of file
diff --git a/Tests/Data/PhreeqcDatabase/core10.dat b/Tests/Data/PhreeqcDatabase/core10.dat
deleted file mode 100644
index 5b147d439cc..00000000000
--- a/Tests/Data/PhreeqcDatabase/core10.dat
+++ /dev/null
@@ -1,6824 +0,0 @@
-# Marc Neveu - created March 2, 2017. Last edited April 16, 2018. mneveu@asu.edu
-# Reference for database description: Neveu M., Desch S. J., Castillo-Rogez J. C. (2017)
-# Aqueous geochemistry in icy world interiors: Equilibrium fluid, rock, and gas compositions,
-# and fate of antifreezes and radionuclides. Geochimica et Cosmochimica Acta 212, 324-371.
- # http://dx.doi.org/10.1016/j.gca.2017.06.023
-#
-# Downloaded April 26, 2018
-#
-# Paraphrase from abstract:
-# This database is a compilation and careful validation of a
-# comprehensive PHREEQC database, which combines the advantages
-# of the default databases phreeqc.dat (carefully vetted data, molar volumes)
-# and llnl.dat (large diversity of species), and should be of broad use to
-# anyone seeking to model aqueous geochemistry at pressures that
-# differ from 1 bar.
-#
-# Extrapolation algorithms:
-# 64cri/cob: ? (12 aq species, all also with supcrt92)
-# Cp integration = Integration of heat capacity vs. temperature measurements (162 solids, 2 gases)
-# Constant H approx = Constant enthalpy approximation (76 solids)
-# 69hel: http://dx.doi.org/10.2475/ajs.267.7.729 (5 aq species)
-# Marion+12 (NH4Cl, NH4HCO3)
-# supcrt92 = SUPCRT92 (329 aq, solids, gases)
-# N17 ([(6)(CB)(CB)S], NH4-feldspar, NH4-muscovite)
-#
-# References:
-# APP14: http://dx.doi.org/10.1016/j.gca.2013.10.003 (25 molar volumes, see phreeqc.dat)
-# AS01: http://dx.doi.org/10.1016/S0168-6445(00)00062-0 (NO(g))
-# BH86: Barta and Hepler, 1986, Can. J.C. 64, 353. (Al+3, AlOH+2 molar volumes)
-# Catalano13: http://dx.doi.org/10.1002/jgre.20161 (23 saponites + ripidolite)
-# CWM89: http://www.worldcat.org/oclc/18559968 (20 solids, incl. 14 elemental)
-# E68: Ellis, 1968, J. Chem. Soc. A, 1138. (Li+ molar volume)
-# HDN+78: http://www.worldcatlibraries.org/oclc/13594862 (117 solids)
-# Hel+98: http://dx.doi.org/10.1016/S0016-7037(97)00219-6 (Pyridine)
-# Hel+09: http://dx.doi.org/10.1016/j.gca.2008.03.004 (Kerogen C128, C292, C515)
-# HOK+98: http://dx.doi.org/10.1016/S0016-7037(97)00219-6 (C2H6(g), C3H8(g))
-# Hovis04: http://dx.doi.org/10.2138/am-2004-0111 (NH4-muscovite molar volume)
-# HSS95: http://dx.doi.org/10.1016/0016-7037(95)00314-P (55 solutes)
-# Joh90: Johnson, J.W., 1990, Personal calculation, Parameters given provide smooth metastable extrapolation of one-bar steam properties predicted by the Haar et al. (1984) equation of state to temperatures < the saturation temperature (99.632 C): Earch Sci. Dept, LLNL, Livermore, CA. (H2O(g))
-# Kel60: http://www.worldcat.org/oclc/693388901 (8 gases)
-# M13: McColm I. J. (2013) Dictionary of Ceramic Science and Engineering, p.72. (CaUO4 molar volume)
-# Marion+03: http://dx.doi.org/10.1016/S0016-7037(03)00372-7 (FeOH+)
-# Marion+05: http://dx.doi.org/10.1016/j.gca.2004.06.024 (Arcanite, Gypsum, Niter, Thenardite molar volumes)
-# Marion+08: http://dx.doi.org/10.1016/j.gca.2007.10.012 (FeOH+, FeOH+2, Melanterite molar volume)
-# Marion+09: http://dx.doi.org/10.1016/j.gca.2009.03.013 (Alum-K molar volume)
-# Marion+12: http://dx.doi.org/10.1016/j.icarus.2012.06.016 (NH4Cl, NH4HCO3)
-# MLS+03: http://dx.doi.org/10.2138/am-2003-5-613 (Goethite)
-# MS97: http://dx.doi.org/10.1016/S0016-7037(97)00241-X (HCl, MgSO4)
-# N17: http://dx.doi.org/10.1016/j.gca.2017.06.023 ([(6)(CB)(CB)S], NH4-feldspar, NH4-muscovite)
-# R01: http://dx.doi.org/10.1016/S0016-7037(01)00761-X ([(6)(CB)(CB)S])
-# RHF79: http://pubs.er.usgs.gov/publication/b1452 (40 solids)
-# RH98: http://dx.doi.org/10.1016/S0016-7037(97)00345-1 ([(aro)-O-(aro)], Kerogen C128, C292, C515)
-# SH88: http://dx.doi.org/10.1016/0016-7037(88)90181-0 (42 solutes, 1 solid)
-# SH90: http://dx.doi.org/10.1016/0016-7037(90)90429-O (6 organic solutes)
-# Sho93: http://dx.doi.org/10.1016/0016-7037(93)90542-5 (C2H4(g), CO(g))
-# Sho95: http://dx.doi.org/10.2475/ajs.295.5.496 (4 organic solutes)
-# Sho09: http://dx.doi.org/10.2113/gsecongeo.104.8.1235 (Goethite)
-# SHS89: http://dx.doi.org/10.1016/0016-7037(89)90341-4 (11 solutes)
-# SK93: http://dx.doi.org/10.1016/0016-7037(93)90128-J (44 acetic acid/acetate complexes)
-# SS93: http://dx.doi.org/10.1016/0016-7037(93)90337-V (CH2O)
-# SM93: http://dx.doi.org/10.1006/icar.1993.1185 (CO, CO(NH2)2, HCN solutes)
-# SSB97: http://dx.doi.org/10.1016/S0016-7037(97)00240-8 (UO2OH+, Uraninite)
-# SSH97: http://dx.doi.org/10.1016/S0016-7037(97)00009-4 (30 solutes)
-# SSW01: http://dx.doi.org/10.1016/S0016-7037(01)00717-7 (CO2, H2S)
-# Ste01: http://dx.doi.org/10.1016/S0009-2541(00)00263-1 (Ti(OH)4)
-# Wat81: “Ammonium Aluminosilicates: The Examination of a Mechanism for the High Temperature Condensation of Ammonia in Circumplanetary Subnebulae†MS Thesis, MIT, 1981. (NH4-feldspar, NH4-muscovite)
-# WEP+82: http://dx.doi.org/10.1063/1.555845 (87 solutes, solids, and gases)
-# WebElements: http://www.webelements.com/periodicity/molar_volume (K, U molar volumes)
-# WebMineral: http://www.webmineral.com (38 solid molar volumes)
-# Wilson+06: http://dx.doi.org/10.1016/j.gca.2005.10.003 (Chamosite, Lizardite)
-#
-# 73bar/kna: Barin, I., and Knacke, O., 1973, Thermochemical properties of inorganic substances: Springer-Verlag, New York. (Alum-K, MgOHCl, Na2SiO3, Nahcolite)
-# 77bar/kna: Barin, I., Knacke, O., and Kubaschewski, O., 1977, Thermochemical properties of inorganic substances. Supplement: Springer-Verlag, New York. (Natrosilite, Pseudowollastonite, Rankinite)
-# 87bou/bar: http://dx.doi.org/10.2113/gsecongeo.82.7.1839 (ZnOH+)
-# 88db 3: Database development group iii/3, 1988, Errors in computation of estimated delH298 for montmor-x endmembers of smectite-di solid solution: LLNL Internal Memo. (Montmor-Ca, K, Mg, Na)
-# 89db 7=89db 6, Database development group, 1989, Zeolite thermodynamic data: LLNL Internal memo. (Clinoptilolite-Ca, K, Na, Mesolite)
-# 76del/hal: http://dx.doi.org/10.1021/cr60301a001 (2 Cr solutes, 9 Cr solids)
-# 92gre/fug: Grenthe, I., Fuger, J., Konings, R.J.M., Lemire, R.J., Muller, A.B., Nguyen-Trung, C., and Wanner, H., 1992, Chemical Thermodynamics, Volume 1: Chemical Thermodynamics of Uranium: North-Holland, Amsterdam, 1, 714p. (4 U solutes, 21 U solids)
-# 90how/joh: http://dx.doi.org/10.1016/S0144-2449(05)80307-0 (Stilbite)
-# 82joh/flo: Johnson, G.K., Flotow, H.E., O'Hare, P.A.G., and Wise, W.S., 1982, Thermodynamic studies of zeolites: Analcime and dehydrated analcime: Amer. Mineral., 67, 736-748. (Analcime)
-# 83joh/flo: Johnson, G.K., Flotow, H.E., O'Hare, P.A.G., and Wise, W.S., 1983, Thermodynamic studies of zeolites: Natrolite, mesolite, and scolecite: Amer. Mineral., 68, 1134-1145. (Natrolite, Scolecite)
-# 91joh/tas: http://dx.doi.org/10.1016/S0021-9614(05)80135-1 (Mordenite)
-# 75kas/bor: Kashkay, C.H.M., Borovskaya,Y.U.B., and Babazade, M.A., 1975, Determination of delG0f298K of synthetic jarosite and its sulfate analogues: Geochem. Intl., 12, 115-121. (Jarosite)
-# 87kee/rup: Kee, R.J., Rupley, F.M., and Miller, J.A., 1987, The Chemkin thermodynamic database: SNL Rep. SAND-87-8215, 92p. (Ice)
-# 78lan: http://dx.doi.org/10.1016/0016-7037(78)90001-7 (Bassetite, Ningyoite, Saleeite)
-# 80lan/her: http://dx.doi.org/10.1016/0016-7037(80)90226-4 (ThCl4)
-# 82mar/smi: Martell, A.E., and Smith, R.M., 1982, Critical Stability Constants, Vol. 5: First Supplement: Plenum, New York, 5, 604p. (MgSO4(aq))
-# 74nau/ryz: Naumov, G.B., Ryzhenko, B.N., and Khodakovsky, I.L., 1974, Handbook of Thermodynamic Data: U.S.G.S. WRD-74-001, 328p. (CoCl+, CoFe2O4, CoS, CoSO4:H2O, Delafossite, Ni2SiO4)
-# 76mac: http://dx.doi.org/10.1016/0010-938X(76)90066-4 (Mn+3)
-# 95pok/hel: http://dx.doi.org/10.2475/ajs.295.10.1255 (4 solutes, 4 solids)
-# 85rar 2: http://dx.doi.org/10.1021/cr00070a003 (9 europium solids)
-# 87rar 2: Rard, J.A., 1987, Update of the europium data base, October, 1987: LLNL Internal Memo. (3 europium solids)
-# 87rua/sew: http://dx.doi.org/10.1016/0016-7037(87)90013-5 (HCl)
-# 82sar/bar: Sarkar, A.K., Barnes, M.W., and Roy, D.M., 1982, Longevity of borehole and shaft sealing materials: thermodynamic properties of cements and related phases applied to repository sealing: ONWI Tech. Rep. ONWI-201, 52p. (16 solids)
-# 84sve: http://dx.doi.org/10.1016/0016-7037(84)90203-5 (Sphaerocobaltite)
-# 78vau/cra: Vaughan, D.J., and Craig, J.R., 1978, Mineral chemistry of metal sulfides: Cambridge Univ. Press, Cambridge, MA. (5 solids)
-# 78wol: Wolery, T.J., 1978, Some chemical aspects of hydrothermal processes at mid-oceanic ridges -- A theoretical study. I. Basalt-sea water reaction and chemical cycling between the oceanic crust and the oceans. II. Calculation of chemical equilibrium between aqueous solutions and minerals: Unpub. Ph.D. Diss., Northwestern Univ., Evaston, IL, 263p. (23 clays)
-# 87woo/gar: Woods, T.L., and Garrels, R.M., 1987, Thermodynamic values at low temperature for natural inorganic materials: An uncritical summary: Oxford Univ. Press, Oxford. (Atacamite, Brochantite, Dioptase)
-
-# Species have various valid temperature ranges, noted in the Range parameter. Currently, Phreeqc doesn’t use this parameter, so it is up to the user to remain in the valid temperature range for all data used.
-
-# Example entry block:
-
-# Formation reaction from basis species
-# -llnl_gamma # ion size parameter in B-dot Debye-Huckel equation
-# log_k # at 25C, 1 bar, used if no -delta_H or -analytic
-# -delta_H # molar enthalpy of reaction, used if no -analytic
-# # deltafH # molar enthalpy of formation from reference compounds
-# -analytic b1 b2 b3 b4 b5 b6 # logK = b1 + b2*T + b3/T + b4*log(T) + b5/T2 + b6*T2
-# # Range Tmin-Tmax # of validity of -analytic
-# -Vm a1 a2 a3 a4 omega # See APP14, SH88 for equations
-# # Extrapol # extrapolation algorithm
-# # Ref # references
-
-LLNL_AQUEOUS_MODEL_PARAMETERS
--temperatures
- 0.01 25 60 100
- 150 200 250 300
-#debye huckel a (adh)
--dh_a
- 0.4939 0.5114 0.5465 0.5995
- 0.6855 0.7994 0.9593 1.2180
-#debye huckel b (bdh)
--dh_b
- 0.3253 0.3288 0.3346 0.3421
- 0.3525 0.3639 0.3766 0.3925
--bdot
- 0.0374 0.0410 0.0438 0.0460
- 0.0470 0.0470 0.0340 0
-#cco2 (coefficients for the Drummond (1981) polynomial)
--co2_coefs
- -1.0312 0.0012806
- 255.9 0.4445
- -0.001606
-
-SOLUTION_MASTER_SPECIES
-
-#element species alk gfw_formula element_gfw
-
-Al Al+3 0 Al 26.9815
-Alkalinity HCO3- 1 Ca0.5(CO3)0.5 50.05
-B B(OH)3 0 B 10.811
-B(3) B(OH)3 0 B -36.44179
-C(-4) CH4 0 CH4 -33.31051
-C(-3) C2H6 0 C2H6 -30.54674
-C(-2) C2H4 0 C2H4 -28.08539
-C HCO3- 1 HCO3 12.011
-C(+2) CO 0 C -23.87691
-C(+4) HCO3- 1 HCO3 -22.05727
-Ca Ca+2 0 Ca 40.078
-Cl Cl- 0 Cl 35.4527
-Cl(-1) Cl- 0 Cl -17.43358
-Cl(1) ClO- 0 Cl -16.11094
-Cl(3) ClO2- 0 Cl -14.87484
-Cl(5) ClO3- 0 Cl -13.71476
-Cl(7) ClO4- 0 Cl
-Co Co+2 0 Co 58.9332
-Co(+2) Co+2 0 Co
-Co(+3) Co+3 0 Co
-Cr CrO4-2 0 CrO4-2 51.9961
-Cr(+2) Cr+2 0 Cr
-Cr(+3) Cr+3 0 Cr
-Cr(+6) CrO4-2 0 Cr
-Cu Cu+2 0 Cu 63.546
-Cu(+1) Cu+1 0 Cu
-Cu(+2) Cu+2 0 Cu
-E e- 0 0 0
-Eu Eu+3 0 Eu 151.965
-Eu(+2) Eu+2 0 Eu
-Eu(+3) Eu+3 0 Eu
-Fe Fe+2 0 Fe 55.847
-Fe(+2) Fe+2 0 Fe
-Fe(+3) Fe+3 -2 Fe
-Gd Gd+3 0 Gd 157.25
-Gd(+3) Gd+3 0 Gd
-H H+ -1 H 1.0079
-H(0) H2 0 H
-H(+1) H+ -1 0
-K K+ 0 K 39.0983
-Li Li+ 0 Li 6.941
-Mg Mg+2 0 Mg 24.305
-Mn Mn+2 0 Mn 54.938
-Mn(+2) Mn+2 0 Mn
-Mn(+3) Mn+3 0 Mn
-Mn(+6) MnO4-2 0 Mn
-Mn(+7) MnO4- 0 Mn
-Mo MoO4-2 0 Mo 95.94
-N NH3 1 N 14.0067
-N(-3) NH3 1 N
-N(0) N2 0 N
-N(+3) NO2- 0 N
-N(+5) NO3- 0 N
-Na Na+ 0 Na 22.9898
-Ni Ni+2 0 Ni 58.69
-O H2O 0 O 15.994
-O(-2) H2O 0 0
-O(0) O2 0 O
-P HPO4-2 2 P 30.9738
-P(5) HPO4-2 2 P
-S SO4-2 0 SO4 32.066
-S(-2) HS- 1 S
-S(+2) S2O3-2 0 S
-S(+3) S2O4-2 0 S
-S(+4) SO3-2 0 S
-S(+5) S2O5-2 0 S
-S(+6) SO4-2 0 SO4
-S(+7) S2O8-2 0 S
-S(+8) HSO5- 0 S
-Sc Sc+3 0 Sc 44.9559
-Si SiO2 0 SiO2 28.0855
-Sm Sm+3 0 Sm 150.36
-Sm(+2) Sm+2 0 Sm
-Sm(+3) Sm+3 0 Sm
-Th Th+4 0 Th 232.0381
-Ti Ti(OH)4 0 Ti 47.88
-U UO2+2 0 U 238.0289
-U(+3) U+3 0 U
-U(+4) U+4 0 U
-U(+5) UO2+ 0 U
-U(+6) UO2+2 0 U
-Zn Zn+2 0 Zn 65.39
-
-SOLUTION_SPECIES
-
-#------------------
-# 31 basis species
-#------------------
-
-Al+3 = Al+3
- -llnl_gamma 9
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH -128.681 kcal/mol
- -Vm -2.28 -17.1 10.9 -2.07 2.87 9 0 0 5.5e-3 1 # APP14, BH86
-
-B(OH)3 = B(OH)3
- -llnl_gamma 3
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH -256.82 kcal/mol
- -Vm 7.0643 8.847 3.5844 -3.1451 -0.2 0 0 0 0 0 # SHS89
-
-Ca+2 = Ca+2
- -llnl_gamma 6
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH -129.8 kcal/mol
- -Vm -0.3456 -7.252 6.149 -2.479 1.239 5 1.60 -57.1 -6.12e-3 1 # APP14
-
-Cl- = Cl-
- -llnl_gamma 3
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH -39.933 kcal/mol
- -Vm 4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1 # APP14
-
-Co+2 = Co+2
- -llnl_gamma 6
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH -13.9 kcal/mol
- -Vm -1.2252 -8.9356 5.3191 -2.4095 1.47690 0 0 0 0 0 # SSW+97
-
-CrO4-2 = CrO4-2
- -llnl_gamma 4
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH -210.6 kcal/mol
- -Vm 5.4891 5.6223 3.5382 -3.0113 3.00240 0 0 0 0 0 # SSW+97
-
-Cu+2 = Cu+2
- -llnl_gamma 6
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH 15.7 kcal/mol
- -Vm -1.13 -10.5 7.29 -2.35 1.61 6 9.78e-2 0 3.42e-3 1 # APP14
-
-e- = e-
-
-Eu+3 = Eu+3
- -llnl_gamma 5
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH -144.7 kcal/mol
- -Vm -3.1037 -15.3599 11.7871 -2.144 2.3161 0 0 0 0 0 # SH88
-
-Fe+2 = Fe+2
- -llnl_gamma 6
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH -22.05 kcal/mol
- -Vm -0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1 # APP14
-
-Gd+3 = Gd+3
- -llnl_gamma 5
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH -164.2 kcal/mol
- -Vm -2.9771 -15.0506 11.6656 -2.1568 2.3265 0 0 0 0 0 # SH88
-
-H+ = H+
- -llnl_gamma 9
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH -0 kJ/mol
-
-HCO3- = HCO3-
- -llnl_gamma 4
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH -164.898 kcal/mol
- -Vm 7.5621 1.1505 1.2346 -2.8266 1.27330 0 0 0 0 0 # SH88
-
-HPO4-2 = HPO4-2
- -llnl_gamma 4
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH -308.815 kcal/mol
- -Vm 3.6315 1.0857 5.3233 -2.8239 3.33630 0 0 0 0 0 # SH88
-
-K+ = K+
- -llnl_gamma 3
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH -60.27 kcal/mol
- -Vm 3.322 -1.473 6.534 -2.712 9.06e-2 3.5 0 29.7 0 1 # APP14
-
-Li+ = Li+
- -llnl_gamma 6
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH -66.552 kcal/mol
- -Vm -0.419 -0.069 13.16 -2.78 0.416 0 0.296 -12.4 -2.74e-3 1.26 # APP14, E68
-
-Mg+2 = Mg+2
- -llnl_gamma 8
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH -111.367 kcal/mol
- -Vm -1.410 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1 # APP14
-
-Mn+2 = Mn+2
- -llnl_gamma 6
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH -52.724 kcal/mol
- -Vm -1.10 -8.03 4.08 -2.45 1.4 6 8.07 0 -1.51e-2 0.118 # APP14
-
-MoO4-2 = MoO4-2
- -llnl_gamma 4.5
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH -238.5 kcal/mol
- -Vm 6.9651 2.7095 18.6617 -2.8909 3.07770 0 0 0 0 0 # SSW+97
-
-NH3 = NH3
- -llnl_gamma 3
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH -19.44 kcal/mol
- -Vm 5.0911 2.797 8.6248 -2.8946 -7.690e-2 0 0 0 0 0 # SHS89
-
-Na+ = Na+
- -llnl_gamma 4
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH -57.433 kcal/mol
- -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.566 # APP14
-
-Ni+2 = Ni+2
- -llnl_gamma 6
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH -12.9 kcal/mol
- -Vm -1.6942 -11.9181 10.4344 -2.2863 1.50670 0 0 0 0 0 # SH88
-
-H2O = H2O
- -llnl_gamma 3
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH -68.317 kcal/mol
-
-SO4-2 = SO4-2
- -llnl_gamma 4
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH -217.4 kcal/mol
- -Vm 8.0 2.3 -46.04 6.245 3.82 0 0 0 0 1 # APP14
-
-Sc+3 = Sc+3
- -llnl_gamma 9
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH -146.8 kcal/mol
- -Vm -2.1109 -12.9294 10.817 -2.2444 2.5003 0 0 0 0 0 # SSW+97
-
-SiO2 = SiO2
- -llnl_gamma 3
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH -209.775 kcal/mol
- -Vm 1.9 1.7 20 -2.7 0.12910 0 0 0 0 0 # SHS89
-
-Sm+3 = Sm+3
- -llnl_gamma 9
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH -165.2 kcal/mol
- -Vm -3.2065 -15.6108 11.8857 -2.1337 2.2955 0 0 0 0 0 # SH88
-
-Th+4 = Th+4
- -llnl_gamma 11
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH -183.8 kcal/mol
- -Vm -4.2886 -18.25 12.9154 -2.0244 3.70930 0 0 0 0 0 # SSW+97
-
-Ti(OH)4 = Ti(OH)4
- -llnl_gamma 3
- log_k 0
-# deltafH -0 kcal/mol
- -Vm 7.366874 10.21009 1.152964 -3.201004 0.01498566 0 0 0 0 0 # Ste01
-
-UO2+2 = UO2+2
- -llnl_gamma 4.5
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH -1019 kJ/mol
- -Vm 3.0256 -4.1084 15.3326 -2.6091 1.40990 0 0 0 0 0 # SSW+97
-
-Zn+2 = Zn+2
- -llnl_gamma 6
- log_k 0
- -delta_H 0 kJ/mol
-# deltafH -36.66 kcal/mol
- -Vm -1.96 -10.4 14.3 -2.35 1.46 5 -1.43 24 1.67e-2 1.11 # APP14
-
-#-------------------
-# 40 Redox couples
-#-------------------
-
-2H2O = O2 + 4H+ + 4e-
- -CO2_llnl_gamma
- log_k -85.9951
- -delta_H 559.543 kJ/mol
-# deltafH -2.9 kcal/mol
- -analytic 38.0229 7.99407e-3 -2.7655e4 -1.4506e1 199838.45
-# Range 0-350
- -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943
-# Extrapol supcrt92
-# Ref SHS89
-
-SO4-2 + H+ = HS- + 2 O2
- -llnl_gamma 3.5
- log_k -138.3169
- -delta_H 869.226 kJ/mol
-# deltafH -3.85 kcal/mol
- -analytic 2.6251e1 3.9525e-2 -4.5443e4 -1.1107e1 3.1843e5
-# Range 0-350
- -Vm 5.0119 4.9799 3.4765 -2.9849 1.44100
-# Extrapol supcrt92
-# Ref SH88
-
-.5 O2 + 2 HS- = S2-2 + H2O
- -llnl_gamma 4.0
- log_k 33.2673
-# deltafH -0 kcal/mol
- -analytic 0.21730e2 -0.12307e-2 0.10098e5 -0.88813e1 0.15757e3
- -mass_balance S(-2)2
-# Range 0-350
- -Vm 5.5797 5.8426 3.4536 -3.0205 3.10830
-# Extrapol supcrt92
-# Ref SH88
-
-2 H+ + 2 SO3-2 = S2O3-2 + O2 + H2O
- -llnl_gamma 4.0
- log_k -40.2906
-# deltafH -0 kcal/mol
- -analytic 0.77679e2 0.65761e-1 -0.15438e5 -0.34651e2 -0.24092e3
-# Range 0-350
- -Vm 6.6685 12.4951 -7.7281 -3.2955 2.96940
-# Extrapol supcrt92
-# Ref SH88
-
-H+ + HCO3- + H2O = CH4 + 2 O2
- -llnl_gamma 3.0
- log_k -144.1412
- -delta_H 863.599 kJ/mol
-# deltafH -21.01 kcal/mol
- -analytic -0.41698e2 0.36584e-1 -0.40675e5 0.93479e1 -0.63468e3
-# Range 0-350
- -Vm 6.7617 8.7279 2.3212 -3.1397 -0.31790
-# Extrapol supcrt92
-# Ref SH90
-
-2 H+ + 2 HCO3- + H2O = C2H6 + 3.5 O2
- -llnl_gamma 3.0
- log_k -228.6072
-# deltafH -0 kcal/mol
- #analytic -0.10777e2 0.72105e-1 -0.67489e5 -0.13915e2 -0.10531e4
- -analytic -491.3 1.148 -10004 0 0 -8.06e-4 # !!! Using CHNOSZ, discrepant with above expression unless the first term is -0.10777e2 instead of 0.10777e2
-# Range 0-350
- -Vm 8.75 13.1051 1.6258 -3.3207 -0.06270
-# Extrapol supcrt92
-# Ref SH90
-
-2 H+ + 2 HCO3- = C2H4 + 3 O2
- -llnl_gamma 3.0
- log_k -254.5034
- -delta_H 1446.6 kJ/mol
-# deltafH 24.65 kcal/mol
- #analytic -0.30329e2 0.71187e-1 -0.73140e5
- -analytic 6e-2 3.60e-2 -7.17e4
-# Range 0-350
- -Vm 7.856 12.6391 -1.8737 -3.3014 -0.4
-# Extrapol supcrt92
-# Ref SH90
-
-HCO3- + H+ = CO + H2O + 0.5 O2
- -llnl_gamma 3.0
- log_k -41.7002
- -delta_H 277.069 kJ/mol
-# deltafH -28.91 kcal/mol
- -analytic 1.0028e2 4.6877e-2 -1.8062e4 -4.0263e1 3.8031e5
-# Range 0-350
- -Vm 6.2373 7.4498 2.8184 -3.0869 -0.37150
-# Extrapol supcrt92
-# Ref SM93
-
-Cl- + 0.5 O2 = ClO-
- -llnl_gamma 4.0
- log_k -15.1014
- -delta_H 66.0361 kJ/mol
-# deltafH -25.6 kcal/mol
- -analytic 6.1314e1 3.4812e-3 -6.0952e3 -2.3043e1 -9.5128e1
-# Range 0-350
- -Vm 2.3599 -2.0164 6.5356 -2.6955 1.47670
-# Extrapol supcrt92
-# Ref SSW+97, SH88
-
-O2 + Cl- = ClO2-
- -llnl_gamma 4.0
- log_k -23.108
- -delta_H 112.688 kJ/mol
-# deltafH -15.9 kcal/mol
- -analytic 3.3638e0 -6.1675e-3 -4.9726e3 -2.0467e0 -2.5769e5
-# Range 0-350
- -Vm 5.2163 4.958 3.7949 -2.9839 1.2637
-# Extrapol supcrt92
-# Ref SSW+97, SH88
-
-1.5 O2 + Cl- = ClO3-
- -llnl_gamma 3.5
- log_k -17.2608
- -delta_H 81.3077 kJ/mol
-# deltafH -24.85 kcal/mol
- -analytic 2.8852e1 -4.8281e-3 -4.6779e3 -1.0772e1 -2.0783e5
-# Range 0-350
- -Vm 7.1665 9.7172 1.9307 -3.1807 1.0418
-# Extrapol supcrt92
-# Ref SH88
-
-2 O2 + Cl- = ClO4-
- -llnl_gamma 3.5
- log_k -15.7091
- -delta_H 62.0194 kJ/mol
-# deltafH -30.91 kcal/mol
- -analytic 7.0280e1 -6.8927e-5 -5.5690e3 -2.6446e1 -1.6596e5
-# Range 0-350
- -Vm 8.1411 15.5654 -7.8077 -3.4224 0.9699
-# Extrapol supcrt92
-# Ref SSW+97, SH88
-
-H+ + Co+2 + 0.25 O2 = Co+3 + 0.5 H2O
- -llnl_gamma 5.0
- log_k -11.4845
- -delta_H 10.3198 kJ/mol
-# deltafH 22 kcal/mol
- -analytic -2.2827e1 -1.2222e-2 -7.2117e2 7.0306 -1.1247e1
-# Range 0-350
- -Vm -2.8678 -14.7777 11.5439 -2.1680 2.6901
-# Extrapol supcrt92
-# Ref SSW+97, SH88
-
-4 H+ + CrO4-2 = Cr+2 + 2 H2O + O2
- -llnl_gamma 4.5
- log_k -21.6373
- -delta_H 153.829 kJ/mol
-# deltafH -34.3 kcal/mol
- -analytic 6.9003e1 6.2884e-2 -6.9847e3 -3.4720e1 -1.0901e2
-# Range 0-350
- -Vm -0.8036 -9.74 9.5688 -2.3762 1.4287 # SSW+97
-# Extrapol supcrt92, 64cri/cob
-# Ref SSW+97, 76del/hal differ by 2 log K at 0C, 0.7 log K at 300C
-
-5 H+ + CrO4-2 = Cr+3 + 2.5 H2O + 0.75 O2
- -llnl_gamma 9.0
- log_k 8.3842
- -delta_H -81.0336 kJ/mol
-# deltafH -57 kcal/mol
- -analytic 5.1963e1 6.0932e-2 5.4256e3 -3.2290e1 8.4645e1
-# Range 0-350
- -Vm -2.7824 -14.5709 11.4661 -2.1765 2.7403
-# Extrapol supcrt92, 64cri/cob
-# Ref SSW+97, 76del/hal differ by 1.5 log K at 0C, 0.8 log K at 300C
-
-Cu+2 + 0.5 H2O = Cu+ + H+ + 0.25 O2
- -llnl_gamma 4.0
- log_k -18.7704
- -delta_H 145.877 kJ/mol
-# deltafH 17.132 kcal/mol
- -analytic 3.7909e1 1.3731e-2 -8.1506e3 -1.3508e1 -1.2719e2
-# Range 0-350
- -Vm 0.807 -5.804 8.0165 -2.5390 0.40460
-# Extrapol supcrt92
-# Ref SSW+97, SH88
-
-Eu+3 + 0.5 H2O = Eu+2 + H+ + 0.25 O2
- -llnl_gamma 4.5
- log_k -27.5115
- -delta_H 217.708 kJ/mol
-# deltafH -126.1 kcal/mol
- -analytic 3.0300e1 1.4126e-2 -1.2319e4 -9.0585e0 1.5289e5
-# Range 0-350
- -Vm 0.0407 -7.6776 8.7578 -2.4615 1.0929
-# Extrapol supcrt92
-# Ref SSW+97, SH88
-
-H+ + Fe+2 + 0.25 O2 = Fe+3 + 0.5 H2O
- -llnl_gamma 9.0
- log_k 8.4899
- -delta_H -97.209 kJ/mol
-# deltafH -11.85 kcal/mol
- -analytic -1.7808e1 -1.1753e-2 4.7609e3 5.5866 7.4295e1
-# Range 0-350
- -Vm -2.4256 -13.6961 11.1141 -2.2127 2.58120
-# Extrapol supcrt92
-# Ref SSW+97, SH88
-
-H2O = H2 + 0.5 O2
- -CO2_llnl_gamma
- log_k -46.1066
- -delta_H 275.588 kJ/mol
-# deltafH -1 kcal/mol
- -analytic 6.6835e1 1.7172e-2 -1.8849e4 -2.4092e1 4.2501e5
-# Range 0-350
- -Vm 5.1427 4.7758 3.8729 -2.9764 -0.209
-# Extrapol supcrt92
-# Ref SHS89
-
-SO4-2 + H+ + 0.5 O2 = HSO5-
- -llnl_gamma 4.0
- log_k -17.2865
- -delta_H 140.038 kJ/mol
-# deltafH -185.38 kcal/mol
- -analytic 5.9944e1 3.0904e-2 -7.7494e3 -2.4420e1 -1.2094e2
-# Range 0-350
- -Vm 8.9391 14.043 0.2349 -3.3594 0.86110
-# Extrapol supcrt92
-# Ref SSW+97, SH88
-
-Mn+2 + H+ + 0.25 O2 = Mn+3 + 0.5 H2O
- -llnl_gamma 5.0
- log_k -4.0811
- -delta_H -65.2892 kJ/mol
-# deltafH -34.895 kcal/mol
- -analytic 3.8873e1 1.7458e-2 2.0757e3 -2.2274e1 3.2378e1
-# Range 0-350
- -Vm -2.932 -14.934 11.6041 -2.1615 2.70250
-# Extrapol supcrt92, 64cri/cob
-# Ref SSW+97, 76mac match
-
-2 H2O + O2 + Mn+2 = MnO4-2 + 4 H+
- -llnl_gamma 4.0
- log_k -32.4146
- -delta_H 151.703 kJ/mol
-# deltafH -156 kcal/mol
- -analytic -1.0407e1 -4.6464e-2 -1.0515e4 1.0943e1 -1.6408e2
-# Range 0-350
- -Vm 5.6596 6.0368 3.3786 -3.0285 2.98030
-# Extrapol supcrt92
-# Ref SSW+97, SH88
-
-2 NH3 + 1.5 O2 = N2 + 3 H2O
- -llnl_gamma 3.0
- log_k 116.4609
- -delta_H -687.08 kJ/mol
-# deltafH -2.495 kcal/mol
- -analytic -8.2621e1 -1.4671e-2 4.0068e4 2.9090e1 -2.5924e5
-# Range 0-350
- -Vm 6.2046 7.3685 2.8539 -3.0836 -0.34680
-# Extrapol supcrt92
-# Ref SHS89
-
-1.5 O2 + NH3 = NO2- + H+ + H2O
- -llnl_gamma 3.0
- log_k +46.8653
- -delta_H -290.901 kJ/mol
-# deltafH -25 kcal/mol
- -analytic -1.7011e1 -3.3459e-2 1.3999e4 1.1078e1 -4.8255e4
-# Range 0-350
- -Vm 5.5864 5.859 3.4472 -3.0212 1.18470
-# Extrapol supcrt92
-# Ref SH88
-
-2 O2 + NH3 = NO3- + H+ + H2O
- -llnl_gamma 3.0
- log_k 62.1001
- -delta_H -387.045 kJ/mol
-# deltafH -49.429 kcal/mol
- -analytic -3.9468e1 -3.9697e-2 2.0614e4 1.8872e1 -2.1917e5
-# Range 0-350
- -Vm 7.3161 6.7824 -4.6838 -3.0594 1.09770
-# Extrapol supcrt92
-# Ref SH88
-
-2 H+ + 2 SO3-2 = S2O4-2 + .5 O2 + H2O
- -llnl_gamma 5.0
- log_k -25.2076
-# deltafH -0 kcal/mol
- -analytic -2.3172e2 2.0393e-3 -7.1011 8.3239e1 9.4155e-1
-# Range 0-350
- -Vm 6.6784 8.528 2.3917 -3.1314 2.87720
-# Extrapol supcrt92
-# Ref SSW+97
-
-2 SO3-2 + .5 O2 + 2 H+ = S2O6-2 + H2O
- -llnl_gamma 4.0
- log_k 41.8289
-# deltafH -0 kcal/mol
- -analytic 0.14458e3 0.61449e-1 0.71877e4 -0.58657e2 0.11211e3
-# Range 0-350
- -Vm 8.2257 12.3054 0.9087 -3.2876 2.75870
-# Extrapol supcrt92
-# Ref SSW+97
-
-2 SO3-2 + 1.5 O2 + 2 H+ = S2O8-2 + H2O
- -llnl_gamma 4.0
- log_k 70.7489
-# deltafH -0 kcal/mol
- -analytic 0.18394e3 0.60414e-1 0.13864e5 -0.71804e2 0.21628e3
-# Range 0-350
- -Vm 13.3622 24.8454 -4.0153 -3.8061 2.32810
-# Extrapol supcrt92
-# Ref SH88
-
-O2 + H+ + 3 HS- = S3-2 + 2 H2O
- -llnl_gamma 4.0
- log_k 79.3915
-# deltafH -0 kcal/mol
- -analytic -0.51626e2 0.70208e-2 0.31797e5 0.11927e2 -0.64249e6
- -mass_balance S(-2)3
-# Range 0-350
- -Vm 6.7661 8.7396 2.315 -3.1403 2.97490
-# Extrapol supcrt92
-# Ref SH88
-
-3 SO3-2 + 4 H+ = S3O6-2 + .5 O2 + 2 H2O
- -llnl_gamma 4.0
- log_k -6.2316
-# deltafH -0 kcal/mol
- -analytic 0.23664e3 0.12702 -0.10110e5 -0.99715e2 -0.15783e3
-# Range 0-350
- -Vm 8.4155 12.7691 0.7268 -3.3068 2.71310
-# Extrapol supcrt92
-# Ref SSW+97
-
-1.5 O2 + 2 H+ + 4 HS- = S4-2 + 3 H2O
- -llnl_gamma 4.0
- log_k 125.2958
-# deltafH -0 kcal/mol
- -analytic 0.20875e3 0.58133e-1 0.33278e5 -0.85833e2 0.51921e3
- -mass_balance S(-2)4
-# Range 0-350
- -Vm 7.9381 11.6012 1.1902 -3.2586 2.83900
-# Extrapol supcrt92
-# Ref SH88
-
-4 SO3-2 + 6 H+ = S4O6-2 + 1.5 O2 + 3 H2O
- -llnl_gamma 4.0
- log_k -38.3859
-# deltafH -0 kcal/mol
- -analytic 0.32239e3 0.19555 -0.23617e5 -0.13729e3 -0.36862e3
-# Range 0-350
- -Vm 10.2672 17.2902 -1.0502 -3.4937 2.28050
-# Extrapol supcrt92
-# Ref SSW+97
-
-2 O2 + 3 H+ + 5 HS- = S5-2 + 4 H2O
- -llnl_gamma 4.0
- log_k 170.9802
-# deltafH -0 kcal/mol
- -analytic 0.30329e3 0.88033e-1 0.44739e5 -0.12471e3 0.69803e3
- -mass_balance S(-2)5
-# Range 0-350
- -Vm 9.1107 14.4645 0.0649 -3.3770 2.70510
-# Extrapol supcrt92
-# Ref SH88
-
-5 SO3-2 + 8 H+ = S5O6-2 + 2.5 O2 + 4 H2O
- -llnl_gamma 4.0
- log_k -99.4206
-# deltafH -0 kcal/mol
- -analytic 0.42074e3 0.25833 -0.43878e5 -0.18178e3 -0.68480e3
-# Range 0-350
- -Vm 8.8725 13.8806 0.2986 -3.3527 2.60760
-# Extrapol supcrt92
-# Ref SSW+97
-
-H+ + HCO3- + HS- + NH3 = SCN- + 3 H2O
- -llnl_gamma 3.5
- log_k 3.0070
-# deltafH -0 kcal/mol
- -analytic 0.16539e3 0.49623e-1 -0.44624e4 -0.65544e2 -0.69680e2
-# Range 0-350
- -Vm 7.0244 9.3687 2.0708 -3.1662 1.10730
-# Extrapol supcrt92, 64cri/cob
-# Ref SSW+97, 92gre/fug match
-
-SO4-2 = SO3-2 + 0.5 O2
- -llnl_gamma 4.5
- log_k -46.6244
- -delta_H 267.985 kJ/mol
-# deltafH -151.9 kcal/mol
- -analytic -1.3771e1 6.5102e-4 -1.3330e4 4.7164 -2.0800e2
-# Range 0-350
- -Vm 2.4632 -1.7691 6.4494 -2.7058 3.321
-# Extrapol supcrt92
-# Ref SSW+97, SH88
-
-Sm+3 + 0.5 H2O = Sm+2 + H+ + 0.25 O2
- -llnl_gamma 4.5
- log_k -47.9624
- -delta_H 326.911 kJ/mol
-# deltafH -120.5 kcal/mol
- -analytic -1.0217e1 7.7548e-3 -1.6285e4 5.4711 9.1931e4
-# Range 0-350
- -Vm -0.0353 -7.8592 8.8194 -2.454 1.1512
-# Extrapol supcrt92
-# Ref SSW+97, SH88
-
-UO2+2 + H+ = U+3 + 0.75 O2 + 0.5 H2O
- -llnl_gamma 5.0
- log_k -64.8028
- -delta_H 377.881 kJ/mol
-# deltafH -489.1 kJ/mol
- -analytic 2.5133e1 6.4088e-3 -2.2542e4 -8.1423 3.4793e5
-# Range 0-350
- -Vm -2.8438 -14.722 11.528 -2.1703 2.27520
-# Extrapol supcrt92, 64cri/cob
-# Ref SSW+97, 92gre/fug match
-
-2 H+ + UO2+2 = U+4 + H2O + 0.5 O2
- -llnl_gamma 5.5
- log_k -33.9491
- -delta_H 135.895 kJ/mol
-# deltafH -591.2 kJ/mol
- -analytic 4.4837e1 1.0129e-2 -1.1787e4 -1.9194e1 4.6436e5
-# Range 0-350
- -Vm -4.2836 -18.2319 12.8955 -2.0252 3.68350 # SSW+97
-# Extrapol supcrt92, 64cri/cob
-# Ref SSW+97, 92gre/fug match
-
-UO2+2 + 0.5 H2O = UO2+ + H+ + 0.25 O2
- -llnl_gamma 4.0
- log_k -20.0169
- -delta_H 133.759 kJ/mol
-# deltafH -1025.13 kJ/mol
- -analytic 8.0480 9.5845e-3 -6.5994e3 -3.5515 -1.0298e2
-# Range 0-350
- -Vm 3.3767 0.4614 5.5725 -2.7980 0.63880 # SSW+97
-# Extrapol supcrt92, 64cri/cob
-# Ref SSW+97, 92gre/fug match
-
-#---------------------------
-# 156 other aqueous species
-#---------------------------
-
-2 CH3COOH + Al+3 = Al(CH3COO)2+ + 2 H+
- -llnl_gamma 4.0
- log_k -5.595
- -delta_H -46.8566 kJ/mol
-# deltafH -372.08 kcal/mol
- -analytic -4.2528e1 2.1431e-3 3.1658e2 1.1585e1 5.8604e5
-# Range 0-350
- -Vm 8.9971 14.1844 0.1805 -3.3653 1.39180
-# Extrapol supcrt92
-# Ref SK93, differ by 2.2 log K at 0C, 1 log K at 300C
-
-2 H2O + Al+3 = AlO2- + 4 H+
- -llnl_gamma 4.0
- log_k -22.8833
- -delta_H 180.899 kJ/mol
-# deltafH -222.079 kcal/mol
- -analytic 1.0803e1 -3.4379e-3 -9.7391e3 0e0 0e0
-# Range 0-350
- -Vm 3.7221 3.9954 -1.5879 -2.9441 1.74180
-# Extrapol supcrt92
-# Ref SSW+97, 95pok/hel match
-
-H2O + Al+3 = AlOH+2 + H+
- -llnl_gamma 4.5
- log_k -4.9571
- -delta_H 49.798 kJ/mol
-# deltafH -185.096 kcal/mol
- -analytic -2.6224e-1 8.8816e-3 -1.8686e3 -4.3195e-1 -2.9158e1
-# Range 0-350
- -Vm -1.46 -11.4 10.2 -2.31 1.67 5.4 0 0 0 1 # APP14, BH86
-# Extrapol supcrt92
-# Ref SSW+97, 95pok/hel match
-
-B(OH)3 = BO2- + H+ + H2O
- -llnl_gamma 4.0
- log_k -9.2449
- -delta_H 16.3302 kJ/mol
-# deltafH -184.6 kcal/mol
- -analytic -1.0500e2 -3.3447e-2 1.4706e3 4.0724e1 2.2978e1
-# Range 0-350
- -Vm -2.2428 -6.2065 -6.3216 -2.5224 1.75950
-# Extrapol supcrt92
-# Ref SH88
-
-HCO3- + H+ = CO2 + H2O
- -CO2_llnl_gamma
- log_k 6.3447
- -delta_H -9.7027 kJ/mol
-# deltafH -98.9 kcal/mol
- -analytic -1.0534e1 2.1746e-2 2.5216e3 7.9125e-1 3.9351e1
-# Range 0-350
- -Vm 6.2466 7.4711 2.8136 -3.0879 -0.1934
-# Extrapol supcrt92
-# Ref SSW01, SHS89
-
-HCO3- = CO3-2 + H+
- -llnl_gamma 4.5
- log_k -10.3288
- -delta_H 14.6984 kJ/mol
-# deltafH -161.385 kcal/mol
- -analytic -6.9958e1 -3.3526e-2 -7.0846e1 2.8224e1 -1.0849
-# Range 0-350
- -Vm 2.8524 -3.9844 6.4142 -2.6143 3.39140
-# Extrapol supcrt92
-# Ref SH88
-
-NH3 + HCO3- = CN- + 2 H2O + 0.5 O2
- -llnl_gamma 3.0
- log_k -56.0505
- -delta_H 344.151 kJ/mol
-# deltafH 36 kcal/mol
- -analytic -1.1174e1 3.8167e-3 -1.7063e4 4.5349e0 -2.6625e2
-# Range 0-350
- -Vm 5.4714 5.5813 3.5497 -3.0096 1.29000
-# Extrapol supcrt92
-# Ref SSW+97, SH88
-
-HCO3- + H+ = HCOOH + 0.5 O2
- -llnl_gamma 3.0 # EQ3/6 data0.sup
- log_k -39.0524
- -analytic -16.6 0.041 -10000 0 0 -1.205e-5
-# Range 0-350
- -Vm 6.3957 7.7713 2.8318 -3.1002 -0.33
-# Extrapol supcrt92
-# Ref Sho95
-
-HCOOH = HCOO- + H+
- -llnl_gamma 3.5 # EQ3/6 data0.sup
- log_k -3.752994
- -analytic -6.456 0.01694 0 0 0 -2.71e-5
-# Range 0-350
- -Vm 5.7842 4.7242 7.363 -2.9742 1.3003
-# Extrapol supcrt92
-# Ref Sho95
-
-2 HCO3- + 2 H+ = CH3COOH + 2 O2
- -llnl_gamma 3.0 # EQ3/6 data0.sup
- log_k -141.99219
- -analytic -6.037 0.0104 -42362 0 0 3.604e-5
-# Range 0-350
- -Vm 11.6198 5.218 2.5088 -2.9946 -0.15
-# Extrapol supcrt92
-# Ref Sho95
-
-CH3COOH = CH3COO- + H+
- -llnl_gamma 4.5
- log_k -4.7572
-# deltafH -0 kcal/mol
- -analytic -0.96597e2 -0.34535e-1 0.19753e4 0.38593e2 0.30850e2
-# Range 0-350
- -Vm 7.7525 8.6996 7.5825 -3.1385 1.31820
-# Extrapol supcrt92
-# Ref Sho95
-
-2 NH3 + HCO3- + H+ = CO(NH2)2 + 2 H2O
- -llnl_gamma 3.0 # EQ3/6 data0.sup
- log_k 6.631821
- -analytic 15.98 -4.41e-2 0 0 0 4.25e-5
-# Range 0-350
- -Vm 7.7158 7.3031 10.9353 -3.0808 -0.3006
-# Extrapol supcrt92
-# Ref SM93
-
-3 H+ + 3 HCO3- + H2O = C3H8 + 5 O2
- -llnl_gamma 3.0 # thermo.com.V8.R6+.tdat
- log_k -363.088
- -analytic -8.04e2 1.877 0 0 0 -1.33e-3
-# Range 0-350
- -Vm 10.768 17.6785 -0.5878 -3.5097 -0.165
-# Extrapol supcrt92
-# Ref SH90
-
-H+ + HCO3- + H2O = CH3OH + 1.5 O2
- -llnl_gamma 3.0 # EQ3/6 data0.sup
- log_k -117.9046
- -analytic -262.5446137 6.159125942e-1 0 0 0 -4.375362728e-4
-# Range 0-350
- -Vm 6.9383 5.5146 11.4018 -3.0069 -0.14760
-# Extrapol supcrt92
-# Ref SH90
-
-H2O + 2 HCO3- + 2 H+ = CH3CH2OH + 3 O2
- -llnl_gamma 3.0 # EQ3/6 data0.sup
- log_k -224.1415
- -analytic -423.8 0.989 -10003 0 0 -6.93e-4
-# Range 0-350
- -Vm 9.2333 9.9581 12.1445 -3.1906 -0.2037
-# Extrapol supcrt92
-# Ref SH90
-
-HCO3- + H+ = CH2O + O2
- -llnl_gamma 3.0 # EQ3/6 data0.sup
- log_k -86.57248
- -analytic -17.3 0.0404 -24072 0 0 -6.57e-6
-# Range 0-350
- -Vm 5.3113 5.3139 3.3901 -2.9986 -0.3984
-# Extrapol supcrt92
-# Ref SS93
-
-2 CH3COOH + Ca+2 = Ca(CH3COO)2 + 2 H+
- -llnl_gamma 3.0
- log_k -7.3814
- -delta_H -2.7196 kJ/mol
-# deltafH -362.65 kcal/mol
- -analytic -1.0320e1 4.0012e-3 -3.6281e3 2.4421 7.0175e5
-# Range 0-350
- -Vm 12.9911 23.9379 -3.6556 -3.7685 -0.03
-# Extrapol supcrt92
-# Ref SK93
-
-Ca+2 + CH3COOH = CaCH3COO+ + H+
- -llnl_gamma 4.0
- log_k -3.8263
- -delta_H 1.17152 kJ/mol
-# deltafH -245.62 kcal/mol
- -analytic -8.8826 3.1672e-3 -1.0764e3 2.0526 2.3599e5
-# Range 0-350
- -Vm 5.9002 6.6232 3.1505 -3.0527 0.36360
-# Extrapol supcrt92
-# Ref SK93
-
-HCO3- + Ca+2 = CaCO3 + H+
- -llnl_gamma 3.0
- log_k -7.0017
- -delta_H 30.5767 kJ/mol
-# deltafH -287.39 kcal/mol
- -analytic 2.3045e2 5.5350e-2 -8.5056e3 -9.1096e1 -1.3279e2
-# Range 0-350
- -Vm -0.3907 -8.7325 9.1753 -2.4179 -0.038
-# Extrapol supcrt92
-# Ref SSH97
-
-Cl- + Ca+2 = CaCl+
- -llnl_gamma 4.0
- log_k -0.6956
- -delta_H 2.02087 kJ/mol
-# deltafH -169.25 kcal/mol
- -analytic 8.1498e1 3.8387e-2 -1.3763e3 -3.5968e1 -2.1501e1
-# Range 0-350
- -Vm 2.7148 -1.1497 6.1949 -2.7314 0.48620
-# Extrapol supcrt92
-# Ref SSH97 differ by 0.3 log K at 0C, 1.2 log K at 300C
-
-2 Cl- + Ca+2 = CaCl2
- -llnl_gamma 3.0
- log_k -0.6436
- -delta_H -5.8325 kJ/mol
-# deltafH -211.06 kcal/mol
- -analytic 1.8178e2 7.6910e-2 -3.1088e3 -7.8760e1 -4.8563e1
-# Range 0-350
- -Vm 6.2187 7.4058 2.8322 -3.0851 -0.038
-# Extrapol supcrt92
-# Ref SSH97
-
-SO4-2 + Ca+2 = CaSO4
- -llnl_gamma 3.0
- log_k 2.1111
- -delta_H 5.4392 kJ/mol
-# deltafH -345.9 kcal/mol
- -analytic 2.8618e2 8.4084e-2 -7.6880e3 -1.1449e2 -1.2005e2
-# Range 0-350
- -Vm 2.7910 -.9666 6.1300 -2.7390 -.0010 # phreeqc.dat, SSH97
-# Extrapol supcrt92
-# Ref SSH97
-
-2 CH3COOH + Co+2 = Co(CH3COO)2 + 2 H+
- -llnl_gamma 3.0
- log_k -7.1468
- -delta_H -22.4262 kJ/mol
-# deltafH -251.46 kcal/mol
- -analytic -2.0661e1 2.9014e-3 -2.2146e3 5.1702 6.4968e5
-# Range 0-350
- -Vm 11.9141 21.312 -2.6321 -3.6599 3.49629
-# Extrapol supcrt92
-# Ref SK93
-
-3 CH3COOH + Co+2 = Co(CH3COO)3- + 3 H+
- -llnl_gamma 4.0
- log_k -11.281
- -delta_H -48.2415 kJ/mol
-# deltafH -373.73 kcal/mol
- -analytic 6.3384e1 -4.0669e-3 -1.4715e4 -1.9518e1 2.1524e6
-# Range 0-350
- -Vm 20.3474 41.8989 -10.7127 -4.5110 1.47140
-# Extrapol supcrt92
-# Ref SK93
-
-Co+2 + CH3COOH = CoCH3COO+ + H+
- -llnl_gamma 4.0
- log_k -3.2985
- -delta_H -8.70272 kJ/mol
-# deltafH -132.08 kcal/mol
- -analytic -5.4858 1.9147e-3 -1.1292e3 9.0555e-1 2.8223e5
-# Range 0-350
- -Vm 5.0294 4.4992 3.9806 -2.9649 0.64720
-# Extrapol supcrt92
-# Ref SK93
-
-Co+2 + Cl- = CoCl+
- -llnl_gamma 4.0
- log_k 0.1547
- -delta_H 1.71962 kJ/mol
-# deltafH -53.422 kcal/mol
- -analytic 1.5234e2 5.6958e-2 -3.3258e3 -6.3849e1 -5.1942e1
-# Range 0-350
- -Vm 1.8028 -3.3766 7.0702 -2.6394 0.71910
-# Extrapol supcrt92, 64cri/cob
-# Ref SSW+97, 74nau/ryz match
-
-2 H+ + 2 CrO4-2 = Cr2O7-2 + H2O
- -llnl_gamma 4.0
- log_k 14.5192
- -delta_H -13.8783 kJ/mol
-# deltafH -356.2 kcal/mol
- -analytic 1.3749e2 6.5773e-2 -7.9472e2 -5.6525e1 -1.2441e1
-# Range 0-350
- -Vm 12.4303 22.568 -3.1161 -3.7119 2.12160
-# Extrapol supcrt92
-# Ref SSW+97, SH88
-
-2 CH3COOH + Cu+2 = Cu(CH3COO)2 + 2 H+
- -llnl_gamma 3.0
- log_k -5.8824
- -delta_H -25.899 kJ/mol
-# deltafH -222.69 kcal/mol
- -analytic -2.6689e1 1.8048e-3 -1.8244e3 7.7008 6.5408e5
-# Range 0-350
- -Vm 11.8801 21.2264 -2.5925 -3.6564 -0.03
-# Extrapol supcrt92
-# Ref SK93
-
-2 CH3COOH + Cu+ = Cu(CH3COO)2- + 2 H+
- -llnl_gamma 4.0
- log_k -9.2139
- -delta_H -19.5476 kJ/mol
-# deltafH -219.74 kcal/mol
- -analytic -3.2712e2 -5.9087e-2 1.1386e4 1.2017e2 1.7777e2
-# Range 0-350
- -Vm 15.0715 29.0205 -5.6592 -3.9786 1.06910
-# Extrapol supcrt92
-# Ref SK93
-
-3 CH3COOH + Cu+2 = Cu(CH3COO)3- + 3 H+
- -llnl_gamma 4.0
- log_k -9.3788
- -delta_H -53.2205 kJ/mol
-# deltafH -345.32 kcal/mol
- -analytic 3.9475e1 -6.2867e-3 -1.3233e4 -1.0643e1 2.1121e6
-# Range 0-350
- -Vm 20.2654 41.7019 -10.6422 -4.5029 1.3408
-# Extrapol supcrt92
-# Ref SK93
-
-Cu+ + CH3COOH = CuCH3COO + H+
- -llnl_gamma 3.0
- log_k -4.4274
- -delta_H -4.19237 kJ/mol
-# deltafH -99.97 kcal/mol
- -analytic 6.3784 -4.5464e-4 -1.9995e3 -2.8359 2.7224e5
-# Range 0-350
- -Vm 7.3009 10.0483 1.7946 -3.1943 -0.03
-# Extrapol supcrt92
-# Ref SK93
-
-Cu+2 + CH3COOH = CuCH3COO+ + H+
- -llnl_gamma 4.0
- log_k -2.5252
- -delta_H -11.3805 kJ/mol
-# deltafH -103.12 kcal/mol
- -analytic -1.4930e1 5.1278e-4 -3.4874e2 4.3605 2.3504e5
-# Range 0-350
- -Vm 4.9722 4.362 4.029 -2.9592 0.56810
-# Extrapol supcrt92
-# Ref SK93
-
-2 CH3COOH + Eu+3 = Eu(CH3COO)2+ + 2 H+
- -llnl_gamma 4.0
- log_k -4.6912
- -delta_H -28.3257 kJ/mol
-# deltafH -383.67 kcal/mol
- -analytic -2.7589e1 1.5772e-3 -1.1008e3 7.9899 5.6652e5
-# Range 0-350
- -Vm 9.3029 14.9307 -0.1123 -3.3961 0.7384
-# Extrapol supcrt92
-# Ref SK93
-
-3 CH3COOH + Eu+3 = Eu(CH3COO)3 + 3 H+
- -llnl_gamma 3.0
- log_k -7.9824
- -delta_H -47.3629 kJ/mol
-# deltafH -504.32 kcal/mol
- -analytic -3.7470e1 1.9276e-3 -1.0318e3 9.7078 7.4558e5
-# Range 0-350
- -Vm 16.6413 32.8512 -7.1605 -4.137 -0.03
-# Extrapol supcrt92
-# Ref SK93
-
-Eu+3 + CH3COOH = EuCH3COO+2 + H+
- -llnl_gamma 4.5
- log_k -1.9571
- -delta_H -14.5603 kJ/mol
-# deltafH -264.28 kcal/mol
- -analytic -1.5090e1 1.0352e-3 -6.4435e2 4.6225 3.1649e5
-# Range 0-350
- -Vm 2.75 -1.0666 6.169 -2.7348 1.5269
-# Extrapol supcrt92
-# Ref SK93
-
-HCO3- + Eu+3 = EuCO3+ + H+
- -llnl_gamma 4.0
- log_k -2.4057
- -delta_H 90.7844 kJ/mol
-# deltafH -287.9 kcal/mol # OBIGT: -311.27 kcal/mol HSS95
- -analytic 2.3548e2 5.3819e-2 -6.9908e3 -9.3137e1 -1.0915e2
-# Range 0-350
- -Vm -0.9842 -10.1779 9.7343 -2.3581 1.2465
-# Extrapol supcrt92
-# Ref HSS95
-
-Eu+2 + Cl- = EuCl+
- -llnl_gamma 4.0
- log_k 0.3819
- -delta_H 8.50607 kJ/mol
-# deltafH -164 kcal/mol
- -analytic 6.8695e1 3.7619e-2 -1.0809e3 -3.0665e1 -1.6887e1
-# Range 0-350
- -Vm 5.1742 4.8499 3.8487 -2.9794 0.2557
-# Extrapol supcrt92
-# Ref HSS95
-
-Eu+3 + Cl- = EuCl+2
- -llnl_gamma 4.5
- log_k 0.3086
- -delta_H 13.9453 kJ/mol
-# deltafH -181.3 kcal/mol
- -analytic 7.9275e1 3.7878e-2 -1.7895e3 -3.4041e1 -2.7947e1
-# Range 0-350
- -Vm -0.3777 -8.6968 9.1514 -2.4194 1.4671
-# Extrapol supcrt92
-# Ref HSS95
-
-2 Cl- + Eu+3 = EuCl2+
- -llnl_gamma 4.0
- log_k -0.0425
- -delta_H 18.6857 kJ/mol
-# deltafH -220.1 kcal/mol # OBIGT: -204.6 kcal/mol HSS95
- -analytic 2.1758e2 8.0336e-2 -5.5499e3 -9.0087e1 -8.6665e1
-# Range 0-350
- -Vm 9.1152 14.474 0.0641 -3.3773 -0.03
-# Extrapol supcrt92
-# Ref HSS95
-
-3 Cl- + Eu+3 = EuCl3
- -llnl_gamma 3.0
- log_k -0.4669
- -delta_H 11.2926 kJ/mol
-# deltafH -261.8 kcal/mol
- -analytic 4.2075e2 1.2890e-1 -1.1288e4 -1.7043e2 -1.7627e2
-# Range 0-350
- -Vm 6.2132 7.3881 2.8493 -3.0843 -0.03
-# Extrapol supcrt92
-# Ref HSS95
-
-3 Cl- + Eu+2 = EuCl3-
- -llnl_gamma 4.0
- log_k 2.0253
- -delta_H -3.76978 kJ/mol
-# deltafH -246.8 kcal/mol
- -analytic 1.1546e1 6.4683e-2 3.7299e3 -1.6672e1 5.8196e1
-# Range 0-350
- -Vm 13.946 26.2721 -4.579 -3.865 0.9527
-# Extrapol supcrt92
-# Ref HSS95
-
-4 Cl- + Eu+3 = EuCl4-
- -llnl_gamma 4.0
- log_k -0.8913
- -delta_H -9.90771 kJ/mol
-# deltafH -306.8 kcal/mol
- -analytic 4.8122e2 1.3081e-1 -1.2950e4 -1.9302e2 -2.0222e2
-# Range 0-350
- -Vm 10.9946 19.066 -1.7473 -3.5671 1.787
-# Extrapol supcrt92
-# Ref HSS95
-
-4 Cl- + Eu+2 = EuCl4-2
- -llnl_gamma 4.0
- log_k 2.8470
- -delta_H -19.9493 kJ/mol
-# deltafH -290.6 kcal/mol
- -analytic -1.2842e2 5.0789e-2 9.8815e3 3.3565e1 1.5423e2
-# Range 0-350
- -Vm 19.473 39.7656 -9.8784 -4.4228 2.4755
-# Extrapol supcrt92
-# Ref HSS95
-
-HPO4-2 + H+ + Eu+3 = EuH2PO4+2
- -llnl_gamma 4.5
- log_k 9.4484
- -delta_H -17.0916 kJ/mol
-# deltafH -457.6 kcal/mol
- -analytic 1.0873e2 6.3416e-2 2.7202e2 -4.8113e1 4.2122
-# Range 0-350
- -Vm 1.4946 -4.1236 7.3517 -2.6084 1.5372
-# Extrapol supcrt92
-# Ref HSS95
-
-HCO3- + Eu+3 = EuHCO3+2
- -llnl_gamma 4.5
- log_k 1.6258
- -delta_H 8.77803 kJ/mol
-# deltafH -307.5 kcal/mol
- -analytic 3.9266e1 3.1608e-2 -9.8731e1 -1.8875e1 -1.5524
-# Range 0-350
- -Vm 0.4928 -6.572 8.3198 -2.5072 1.286
-# Extrapol supcrt92
-# Ref HSS95
-
-NO3- + Eu+3 = EuNO3+2
- -llnl_gamma 4.5
- log_k 0.8745
- -delta_H -32.0955 kJ/mol
-# deltafH -201.8 kcal/mol
- -analytic 1.7398e1 2.5467e-2 2.2683e3 -1.2810e1 3.5389e1
-# Range 0-350
- -Vm 1.2198 -4.7951 7.6178 -2.5807 1.6556
-# Extrapol supcrt92
-# Ref HSS95
-
-H2O + Eu+3 = EuO+ + 2 H+
- -llnl_gamma 4.0
- log_k -16.337
- -delta_H 110.947 kJ/mol
-# deltafH -186.5 kcal/mol # OBIGT: -177.81 kcal/mol HSS95
- -analytic 1.8876e2 3.0194e-2 -1.3836e4 -6.7770e1 -2.1595e2
-# Range 0-350
- -Vm 2.7458 -1.0743 6.1663 -2.7345 0.4322
-# Extrapol supcrt92
-# Ref HSS95
-
-2 H2O + Eu+3 = EuO2- + 4 H+
- -llnl_gamma 4.0
- log_k -34.5066
- -delta_H 281.307 kJ/mol
-# deltafH -214.1 kcal/mol # OBIGT: -219.06 kcal/mol HSS95
- -analytic 7.5244e1 3.7089e-4 -1.3587e4 -2.3859e1 -4.6713e5
-# Range 0-350
- -Vm 4.8468 4.0541 4.1548 -2.9465 1.1424
-# Extrapol supcrt92
-# Ref HSS95
-
-2 H2O + Eu+3 = EuO2H + 3 H+
- -llnl_gamma 3.0
- log_k -25.4173
- -delta_H 222.313 kJ/mol
-# deltafH -228.2 kcal/mol
- -analytic 3.6754e2 5.3868e-2 -2.4034e4 -1.3272e2 -3.7514e2
-# Range 0-350
- -Vm 4.8064 3.954 4.1968 -2.9424 -0.03
-# Extrapol supcrt92
-# Ref HSS95
-
-H2O + Eu+3 = EuOH+2 + H+
- -llnl_gamma 4.5
- log_k -7.9075
- -delta_H 78.0065 kJ/mol
-# deltafH -194.373 kcal/mol
- -analytic 6.7691e1 1.2066e-2 -6.1871e3 -2.3617e1 -9.6563e1
-# Range 0-350
- -Vm 2.6569 -1.2969 6.2659 -2.7253 1.1815
-# Extrapol supcrt92
-# Ref HSS95
-
-SO4-2 + Eu+3 = EuSO4+
- -llnl_gamma 4.0
- log_k 3.6430
- -delta_H 62.3416 kJ/mol
-# deltafH -347.2 kcal/mol # OBIGT: -357.2 kcal/mol HSS95
- -analytic 3.0587e2 8.6208e-2 -9.0387e3 -1.2026e2 -1.4113e2
-# Range 0-350
- -Vm 1.4399 -4.2627 7.4184 -2.6027 0.779
-# Extrapol supcrt92
-# Ref HSS95
-
-2 CH3COOH + Fe+2 = Fe(CH3COO)2 + 2 H+
- -llnl_gamma 3.0
- log_k -7.0295
- -delta_H -20.2924 kJ/mol
-# deltafH -259.1 kcal/mol
- -analytic -2.9862e1 1.3901e-3 -1.6908e3 8.6283 6.0125e5
-# Range 0-350
- -Vm 12.1698 21.937 -2.8791 -3.6858 -0.038
-# Extrapol supcrt92
-# Ref SSH97, SK93
-
-Fe+2 + CH3COOH = FeCH3COO+ + H+
- -llnl_gamma 4.0
- log_k -3.4671
- -delta_H -3.80744 kJ/mol
-# deltafH -139.06 kcal/mol
- -analytic -1.3781e1 9.6253e-4 -7.5310e2 4.0135 2.3416e5
-# Range 0-350
- -Vm 5.2246 4.9785 3.7863 -2.9848 0.57560
-# Extrapol supcrt92
-# Ref SSH97, SK93
-
-Fe+2 + Cl- = FeCl+
- -llnl_gamma 4.0
- log_k -0.1605
- -delta_H 3.02503 kJ/mol
-# deltafH -61.26 kcal/mol
- -analytic 8.2435e1 3.7755e-2 -1.4765e3 -3.5918e1 -2.3064e1
-# Range 0-350
- -Vm 2.1468 -2.5367 6.7401 -2.6741 0.7003
-# Extrapol supcrt92
-# Ref SSH97
-
-Fe+3 + Cl- = FeCl+2
- -llnl_gamma 4.5
- log_k -0.8108
- -delta_H 36.6421 kJ/mol
-# deltafH -180.018 kJ/mol
- -analytic 1.6186e2 5.9436e-2 -5.1913e3 -6.5852e1 -8.1053e1
-# Range 0-350
- -Vm -0.7164 -9.5277 9.4878 -2.3851 0.17013 # SSH97
-# Extrapol supcrt92, 64cri/cob
-# Ref SSH97, WEP+82 differ by 2.7 log K at 0C, 1.2 log K at 300C
-
-2 Cl- + Fe+2 = FeCl2
- -llnl_gamma 3.0
- log_k -2.4541
- -delta_H 6.46846 kJ/mol
-# deltafH -100.37 kcal/mol
- -analytic 1.9171e2 7.8070e-2 -4.1048e3 -8.2292e1 -6.4108e1
-# Range 0-350
- -Vm 5.5057 5.665 3.5164 -3.0131 -0.038
-# Extrapol supcrt92
-# Ref SSH97 differ by 7.2 log K at 0C, 3.2 log K at 300C !! flag
-
-H2O + Fe+2 = FeOH+ + H+
- -llnl_gamma 4.0
- log_k -9.5
- -analytic 1.706e-1 0 -2.883e3
-# Range 0-350
- -Vm -0.2561 -8.4039 9.0457 -2.4315 0.7003
-# Extrapol supcrt92
-# Ref SSW+97, Marion+03,08 match
-
-H2O + Fe+3 = FeOH+2 + H+
- -llnl_gamma 4.5
- log_k -2.19
-# deltafH -0 kcal/mol
- -analytic 5.300 0 -2.272e3
-# Range 0-350
- -Vm -1.1562 -10.6009 9.9077 -2.3407 1.43820
-# Extrapol supcrt92
-# Ref SSW+97, Marion+08 match
-
-2 CH3COOH + Gd+3 = Gd(CH3COO)2+ + 2 H+
- -llnl_gamma 4.0
- log_k -4.9625
- -delta_H -22.3426 kJ/mol
-# deltafH -401.74 kcal/mol
- -analytic -4.3124e1 1.2995e-4 -4.3494e2 1.3677e1 5.1224e5
-# Range 0-350
- -Vm 9.4165 15.2134 -0.2342 -3.4078 0.6223
-# Extrapol supcrt92
-# Ref SK93
-
-3 CH3COOH + Gd+3 = Gd(CH3COO)3 + 3 H+
- -llnl_gamma 3.0
- log_k -8.3489
- -delta_H -37.9907 kJ/mol
-# deltafH -521.58 kcal/mol
- -analytic -8.8296e1 -5.0939e-3 1.2268e3 2.8513e1 6.0745e5
-# Range 0-350
- -Vm 16.8116 33.2662 -7.3215 -4.1541 -0.03
-# Extrapol supcrt92
-# Ref SK93
-
-Gd+3 + CH3COOH = GdCH3COO+2 + H+
- -llnl_gamma 4.5
- log_k -2.1037
- -delta_H -11.7152 kJ/mol
-# deltafH -283.1 kcal/mol
- -analytic -1.4118e1 1.6660e-3 -7.5206e2 4.2614 3.1187e5
-# Range 0-350
- -Vm 2.8605 -0.7945 6.0567 -2.7461 1.4477
-# Extrapol supcrt92
-# Ref SK93
-
-HCO3- + Gd+3 = GdCO3+ + H+
- -llnl_gamma 4.0
- log_k -2.479
- -delta_H 89.9476 kJ/mol
-# deltafH -307.6 kcal/mol # OBIGT: -330.22 kcal/mol HSS95
- -analytic 2.3628e2 5.4100e-2 -7.0746e3 -9.3413e1 -1.1046e2
-# Range 0-350
- -Vm -0.953 -10.1036 9.7095 -2.3612 1.1729
-# Extrapol supcrt92
-# Ref HSS95
-
-Gd+3 + Cl- = GdCl+2
- -llnl_gamma 4.5
- log_k 0.3086
- -delta_H 14.7821 kJ/mol
-# deltafH -200.6 kcal/mol
- -analytic 8.0750e1 3.8524e-2 -1.8591e3 -3.4621e1 -2.9034e1
-# Range 0-350
- -Vm -0.263 -8.417 9.0425 -2.4309 1.4006
-# Extrapol supcrt92
-# Ref HSS95
-
-2 Cl- + Gd+3 = GdCl2+
- -llnl_gamma 4.0
- log_k -0.0425
- -delta_H 21.1961 kJ/mol
-# deltafH -239 kcal/mol
- -analytic 2.1754e2 8.0996e-2 -5.6121e3 -9.0067e1 -8.7635e1
-# Range 0-350
- -Vm 2.8492 -0.8272 6.0803 -2.7447 0.6305
-# Extrapol supcrt92
-# Ref HSS95
-
-3 Cl- + Gd+3 = GdCl3
- -llnl_gamma 3.0
- log_k -0.4669
- -delta_H 15.895 kJ/mol
-# deltafH -280.2 kcal/mol
- -analytic 4.1398e2 1.2829e-1 -1.1230e4 -1.6770e2 -1.7535e2
-# Range 0-350
- -Vm 6.3836 7.8028 2.6888 -3.1015 -0.03
-# Extrapol supcrt92
-# Ref HSS95
-
-4 Cl- + Gd+3 = GdCl4-
- -llnl_gamma 4.0
- log_k -0.8913
- -delta_H -1.53971 kJ/mol
-# deltafH -324.3 kcal/mol
- -analytic 4.7684e2 1.3157e-1 -1.3068e4 -1.9118e2 -2.0405e2
-# Range 0-350
- -Vm 11.1317 19.3995 -1.8761 -3.5809 1.631
-# Extrapol supcrt92
-# Ref HSS95
-
-HPO4-2 + H+ + Gd+3 = GdH2PO4+2
- -llnl_gamma 4.5
- log_k 9.4484
- -delta_H -14.9996 kJ/mol
-# deltafH -476.6 kcal/mol
- -analytic 1.1058e2 6.4124e-2 1.3451e2 -4.8758e1 2.0660
-# Range 0-350
- -Vm 1.6048 -3.8632 7.2686 -2.6192 1.4574
-# Extrapol supcrt92
-# Ref HSS95
-
-HCO3- + Gd+3 = GdHCO3+2
- -llnl_gamma 4.5
- log_k 1.6991
- -delta_H 10.0332 kJ/mol
-# deltafH -326.7 kcal/mol
- -analytic 4.1973e1 3.2521e-2 -2.3475e2 -1.9864e1 -3.6757
-# Range 0-350
- -Vm 0.6026 -6.3043 8.2153 -2.5183 1.2048
-# Extrapol supcrt92
-# Ref HSS95
-
-NO3- + Gd+3 = GdNO3+2
- -llnl_gamma 4.5
- log_k 0.4347
- -delta_H -25.8195 kJ/mol
-# deltafH -219.8 kcal/mol
- -analytic 2.0253e1 2.6372e-2 1.8785e3 -1.3723e1 2.9306e1
-# Range 0-350
- -Vm 1.3205 -4.5535 7.5323 -2.5907 1.5475
-# Extrapol supcrt92
-# Ref HSS95
-
-H2O + Gd+3 = GdO+ + 2 H+
- -llnl_gamma 4.0
- log_k -16.337
- -delta_H 113.039 kJ/mol
-# deltafH -205.5 kcal/mol # OBIGT: -196.63 kcal/mol HSS95
- -analytic 2.0599e2 3.2521e-2 -1.4547e4 -7.4048e1 -2.2705e2
-# Range 0-350
- -Vm 2.8425 -0.8409 6.0801 -2.7441 0.3539
-# Extrapol supcrt92
-# Ref HSS95
-
-2 H2O + Gd+3 = GdO2- + 4 H+
- -llnl_gamma 4.0
- log_k -34.4333
- -delta_H 283.817 kJ/mol
-# deltafH -233 kcal/mol # OBIGT: -237.73 kcal/mol HSS95
- -analytic 1.2067e2 6.6276e-3 -1.5531e4 -4.0448e1 -4.3587e5
-# Range 0-350
- -Vm 5.0344 4.5111 3.9769 -2.9654 1.0495 -1
-# Extrapol supcrt92
-# Ref HSS95
-
-2 H2O + Gd+3 = GdO2H + 3 H+
- -llnl_gamma 3.0
- log_k -25.2707
- -delta_H 224.405 kJ/mol
-# deltafH -247.2 kcal/mol
- -analytic 3.6324e2 4.7938e-2 -2.4275e4 -1.2988e2 -3.7889e2
-# Range 0-350
- -Vm 5.0117 4.4582 3.9917 -2.9632 -0.03
-# Extrapol supcrt92
-# Ref HSS95
-
-H2O + Gd+3 = GdOH+2 + H+
- -llnl_gamma 4.5
- log_k -7.9075
- -delta_H 79.9855 kJ/mol
-# deltafH -213.4 kcal/mol # OBIGT: 212.9 kcal/mol HSS95
- -analytic 8.3265e1 1.4153e-2 -6.8229e3 -2.9301e1 -1.0649e2
-# Range 0-350
- -Vm 2.7389 -1.0936 6.1786 -2.7337 1.1
-# Extrapol supcrt92
-# Ref HSS95
-
-SO4-2 + Gd+3 = GdSO4+
- -llnl_gamma 4.0
- log_k -3.687
- -delta_H 20.0832 kJ/mol
-# deltafH -376.8 kcal/mol
- -analytic 3.0783e2 8.6798e-2 -1.1246e4 -1.2109e2 -1.7557e2
- #analytic 3.18e2 7.5e-2 -1.12e4 -1.21e2 -1.76e2
-# Range 0-350
- -Vm 1.4776 -4.1705 7.3822 -2.6065 0.7287
-# Extrapol supcrt92
-# Ref HSS95 differ by 7 log K at 0C, 3.7 log K at 300C !! flag
-
-2 HPO4-2 + 2 H+ = H2P2O7-2 + H2O
- -llnl_gamma 4.0
- log_k 12.0709
- -delta_H 19.7192 kJ/mol
-# deltafH -544.6 kcal/mol
- -analytic 1.4825e2 6.7021e-2 -2.8329e3 -5.9251e1 -4.4248e1
-# Range 0-350
- -Vm 9.0963 14.4299 0.076 -3.3754 2.62180
-# Extrapol supcrt92
-# Ref SSW+97, SH88
-
-HPO4-2 + H+ = H2PO4-
- -llnl_gamma 4.0
- log_k 7.2054
- -delta_H -4.20492 kJ/mol
-# deltafH -309.82 kcal/mol
- -analytic 8.2149e1 3.4077e-2 -1.0431e3 -3.2970e1 -1.6301e1
-# Range 0-350
- -Vm 6.4875 8.0594 2.5823 -3.1122 1.3003
-# Extrapol supcrt92
-# Ref SH88
-
-HS- + H+ = H2S
- -llnl_gamma 3.0
- log_k 6.9877
- -delta_H -21.5518 kJ/mol
-# deltafH -9.001 kcal/mol
- -analytic 3.9283e1 2.8727e-2 1.3477e3 -1.8331e1 2.1018e1
-# Range 0-350
- -Vm 7.81 2.96 -0.46 # phreeqc.dat
-# Extrapol supcrt92
-# Ref SSW01, SHS89
-
-3 H+ + 2 HPO4-2 = H3P2O7- + H2O
- -llnl_gamma 4.0
- log_k 14.4165
- -delta_H 21.8112 kJ/mol
-# deltafH -544.1 kcal/mol
- -analytic 2.3157e2 1.0161e-1 -4.3723e3 -9.4050e1 -6.8295e1
-# Range 0-350
- -Vm 9.1292 14.5122 0.0398 -3.3788 0.8568
-# Extrapol supcrt92
-# Ref SSW+97, SH88
-
-2 H+ + HPO4-2 = H3PO4
- -llnl_gamma 3.0
- log_k 9.3751
- -delta_H 3.74468 kJ/mol
-# deltafH -307.92 kcal/mol
- -analytic 1.8380e2 6.7320e-2 -3.7792e3 -7.3463e1 -5.9025e1
-# Range 0-350
- -Vm 8.2727 12.4182 0.8691 -3.2924 -0.22
-# Extrapol supcrt92
-# Ref SHS89
-
-4 H+ + 2 HPO4-2 = H4P2O7 + H2O
- -llnl_gamma 3.0
- log_k 15.9263
- -delta_H 29.7226 kJ/mol
-# deltafH -2268.6 kJ/mol
- -analytic 6.9026e2 2.4309e-1 -1.6165e4 -2.7989e2 -2.7475e2
-# Range 0-350
- -Vm 9.2975 14.9199 -0.113 -3.3957 -0.62920
-# Extrapol supcrt92, 69hel
-# Ref SSW+97, WEP+82
-
-2 H2O + Al+3 = HAlO2 + 3 H+
- -llnl_gamma 3.0
- log_k -16.4329
- -delta_H 144.704 kJ/mol
-# deltafH -230.73 kcal/mol
- -analytic 4.2012e1 1.9980e-2 -7.7847e3 -1.5470e1 -1.2149e2
-# Range 0-350
- -Vm 3.5338 0.8485 5.4132 -2.8140 -0.03
-# Extrapol supcrt92
-# Ref SSW+97, 95pok/hel
-
-H+ + CN- = HCN
- -llnl_gamma 3.0
- log_k 9.2359
- -delta_H -43.5136 kJ/mol
-# deltafH 25.6 kcal/mol
- -analytic 1.0536e1 2.3105e-2 3.3038e3 -7.7786 5.1550e1
-# Range 0-350
- -Vm 8.0083 11.7705 1.1286 -3.2655 -0.1113
-# Extrapol supcrt92
-# Ref SM93
-
-H+ + Cl- = HCl
- -llnl_gamma 3.0
- log_k -0.67
-# deltafH -0 kcal/mol
- -analytic 4.1893e2 1.1103e-1 -1.1784e4 -1.6697e2 -1.8400e2
-# Range 0-350
- -Vm 1.2547 -4.7177 7.6043 -2.5840 -0.7
-# Extrapol supcrt92, ?
-# Ref MS97, 87rua/sew match
-
-H+ + CrO4-2 = HCrO4-
- -llnl_gamma 4.0
- log_k 6.4944
- -delta_H 2.9288 kJ/mol
-# deltafH -209.9 kcal/mol
- -analytic 4.4944e1 3.2740e-2 1.8400e2 -1.9722e1 2.8578
-# Range 0-350
- -Vm 8.2211 12.2925 0.9174 -3.2871 0.923
-# Extrapol supcrt92
-# Ref SSW+97, SH88
-
-NO2- + H+ = HNO2
- -llnl_gamma 3.0
- log_k 3.2206
- -delta_H -14.782 kJ/mol
-# deltafH -119.382 kJ/mol
- -analytic 1.9653 -1.1603e-4 0 0 1.1569e5
-# Range 0-350
- -Vm 5.9151 6.659 3.1378 -3.0542 -0.1507
-# Extrapol supcrt92, 69hel
-# Ref SSW+97, WEP+82 match
-
-NO3- + H+ = HNO3
- -llnl_gamma 3.0
- log_k -1.3025
- -delta_H 16.8155 kJ/mol
-# deltafH -45.41 kcal/mol
- -analytic 9.9744e1 3.4866e-2 -3.0975e3 -4.0830e1 -4.8363e1
-# Range 0-350
- -Vm 7.1623 9.7063 1.9367 -3.1802 -0.3066
-# Extrapol supcrt92
-# Ref SSW+97, SHS89
-
-2 HPO4-2 + H+ = HP2O7-3 + H2O
- -llnl_gamma 4.0
- log_k 5.4498
- -delta_H 23.3326 kJ/mol
-# deltafH -2274.99 kJ/mol
- -analytic 3.9159e2 1.5438e-1 -8.7071e3 -1.6283e2 -1.3598e2
-# Range 0-350
- -Vm 8.3302 12.5558 0.8208 -3.2980 4.647
-# Extrapol supcrt92, 64cri/cob
-# Ref SSW+97, WEP+82 differ by 0 log K at 0C, 4.7 log K at 300C
-
-SO3-2 + H+ = HSO3-
- -llnl_gamma 4.0
- log_k 7.2054
- -delta_H 9.33032 kJ/mol
-# deltafH -149.67 kcal/mol
- -analytic 5.5899e1 3.3623e-2 -5.0120e2 -2.3040e1 -7.8373
-# Range 0-350
- -Vm 6.7014 8.5816 2.3771 -0.31338 1.1233
-# Extrapol supcrt92
-# Ref SH88
-
-SO4-2 + H+ = HSO4-
- -llnl_gamma 4.0
- log_k 1.9791
- -delta_H 20.5016 kJ/mol
-# deltafH -212.5 kcal/mol
- -analytic 4.9619e1 3.0368e-2 -1.1558e3 -2.1335e1 -1.8051e1
-# Range 0-350
- -Vm 8.2 9.2590 2.1108 -3.1618 1.1748 0 -0.3 15 0 1 # APP14
-# Extrapol supcrt92
-# Ref SH88
-
-SiO2 + H2O = HSiO3- + H+
- -llnl_gamma 4.0
- log_k -9.9525
- -delta_H 25.991 kJ/mol
-# deltafH -271.88 kcal/mol
- -analytic 6.4211e1 -2.4872e-2 -1.2707e4 -1.4681e1 1.0853e6
-# Range 0-350
- -Vm 2.9735 -0.5158 5.9467 -2.7575 1.5511
-# Extrapol supcrt92
-# Ref SSH97
-
-2 CH3COOH + K+ = K(CH3COO)2- + 2 H+
- -llnl_gamma 4.0
- log_k -10.2914
- -delta_H -1.79912 kJ/mol
-# deltafH -292.9 kcal/mol
- -analytic -2.3036e2 -4.6369e-2 7.0305e3 8.4997e1 1.0977e2
-# Range 0-350
- -Vm 17.8481 35.7984 -8.3193 -4.2588 0.7097
-# Extrapol supcrt92
-# Ref SK93
-
-K+ + CH3COOH = KCH3COO + H+
- -llnl_gamma 3.0
- log_k -5.0211
- -delta_H 4.8116 kJ/mol
-# deltafH -175.22 kcal/mol
- -analytic -2.6676e-1 -3.2675e-3 -1.7143e3 -7.1907e-3 1.7726e5
-# Range 0-350
- -Vm 17.8481 35.7984 -8.3193 -4.2588 0.7097
-# Extrapol supcrt92
-# Ref SK93
-
-K+ + Cl- = KCl
- -llnl_gamma 3.0
- log_k -1.4946
- -delta_H 14.1963 kJ/mol
-# deltafH -96.81 kcal/mol
- -analytic 1.3650e2 3.8405e-2 -4.4014e3 -5.4421e1 -6.8721e1
-# Range 0-350
- -Vm 6.9932 9.297 2.0889 -3.1633 -0.038
-# Extrapol supcrt92
-# Ref SSH97
-
-SO4-2 + K+ + H+ = KHSO4
- -llnl_gamma 3.0
- log_k 0.8136
- -delta_H 29.8319 kJ/mol
-# deltafH -270.54 kcal/mol
- -analytic 1.2620e2 5.7349e-2 -3.3670e3 -5.3003e1 -5.2576e1
-# Range 0-350
- -Vm 9.1226 14.4964 0.0453 -3.3782 -0.001
-# Extrapol supcrt92
-# Ref SSH97
-
-SO4-2 + K+ = KSO4-
- -llnl_gamma 4.0
- log_k 0.8796
- -delta_H 2.88696 kJ/mol
-# deltafH -276.98 kcal/mol
- -analytic 9.9073e1 3.7817e-2 -2.1628e3 -4.1297e1 -3.3779e1
-# Range 0-350
- -Vm 6.8 7.06 3.0 -2.07 1.1 0 0 0 0 1 # APP14
-# Extrapol supcrt92
-# Ref SSH97
-
-2 CH3COOH + Li+ = Li(CH3COO)2- + 2 H+
- -llnl_gamma 4.0
- log_k -9.2674
- -delta_H -24.7609 kJ/mol
-# deltafH -304.67 kcal/mol
- -analytic -3.3702e2 -6.0849e-2 1.1952e4 1.2359e2 1.8659e2
-# Range 0-350
- -Vm 16.3412 32.1211 -6.8785 -4.1068 1.2422
-# Extrapol supcrt92
-# Ref SK93
-
-Li+ + CH3COOH = LiCH3COO + H+
- -llnl_gamma 3.0
- log_k -4.4589
- -delta_H -6.64419 kJ/mol
-# deltafH -184.24 kcal/mol
- -analytic -3.8391 -7.3938e-4 -1.0829e3 3.4134e-1 2.1318e5
-# Range 0-350
- -Vm 8.388 12.6976 0.7639 -3.3038 -0.03
-# Extrapol supcrt92
-# Ref SK93
-
-Li+ + Cl- = LiCl
- -llnl_gamma 3.0
- log_k -1.5115
- -delta_H 3.36812 kJ/mol
-# deltafH -105.68 kcal/mol
- -analytic 1.2484e2 4.1941e-2 -3.2439e3 -5.1708e1 -5.0655e1
-# Range 0-350
- -Vm 5.5837 5.8554 3.4416 -3.021 -0.038
-# Extrapol supcrt92
-# Ref SSH97
-
-2 CH3COOH + Mg+2 = Mg(CH3COO)2 + 2 H+
- -llnl_gamma 3.0
- log_k -7.473
- -delta_H -23.8195 kJ/mol
-# deltafH -349.26 kcal/mol
- -analytic -4.3954e1 -3.1842e-4 -1.2033e3 1.3556e1 6.3058e5
-# Range 0-350
- -Vm 12.3982 22.4898 -3.0853 -3.7086 -0.03
-# Extrapol supcrt92
-# Ref SK93
-
-Mg+2 + CH3COOH = MgCH3COO+ + H+
- -llnl_gamma 4.0
- log_k -3.4781
- -delta_H -8.42239 kJ/mol
-# deltafH -229.48 kcal/mol
- -analytic -2.3548e1 -1.6071e-3 -4.2228e2 7.7009 2.5981e5
-# Range 0-350
- -Vm 5.4981 5.6424 3.5341 -3.0122 0.7483
-# Extrapol supcrt92
-# Ref SK93
-
-Mg+2 + HCO3- = MgCO3 + H+
- -llnl_gamma 3.0
- log_k -7.3499
- -delta_H 23.8279 kJ/mol
-# deltafH -270.57 kcal/mol
- -analytic 2.3465e2 5.5538e-2 -8.3947e3 -9.3104e1 -1.3106e2
-# Range 0-350
- -Vm -0.7355 -9.5745 9.5062 -2.3831 -0.038
-# Extrapol supcrt92
-# Ref SSH97
-
-Mg+2 + Cl- = MgCl+
- -llnl_gamma 4.0
- log_k -0.1349
- -delta_H -0.58576 kJ/mol
-# deltafH -151.44 kcal/mol
- -analytic 4.3363e1 3.2858e-2 1.1878e2 -2.1688e1 1.8403
-# Range 0-350
- -Vm 2.223 -2.3505 6.6669 -2.6818 0.84490
-# Extrapol supcrt92
-# Ref SSH97
-
-SO4-2 + Mg+2 = MgSO4
- -llnl_gamma 3.0
- log_k 2.4117
- -delta_H 19.6051 kJ/mol
-# deltafH -1355.96 kJ/mol
- -analytic 1.7994e2 6.4715e-2 -4.7314e3 -7.3123e1 -8.0408e1
-# Range 0-350
- -Vm 2.4 -0.97 6.1 -2.74 # APP14
-# Extrapol supcrt92, 69hel
-# Ref MS97, 82mar/smi match
-
-2 CH3COOH + Mn+2 = Mn(CH3COO)2 + 2 H+
- -llnl_gamma 3.0
- log_k -7.4547
- -delta_H -11.4893 kJ/mol
-# deltafH -287.67 kcal/mol
- -analytic -9.0558e-1 5.9656e-3 -4.3531e3 -1.1063 8.0323e5
-# Range 0-350
- -Vm 13.1542 24.3405 -3.8236 -3.7851 -0.03
-# Extrapol supcrt92
-# Ref SK93
-
-3 CH3COOH + Mn+2 = Mn(CH3COO)3- + 3 H+
- -llnl_gamma 4.0
- log_k -11.8747
- -delta_H -30.3591 kJ/mol
-# deltafH -408.28 kcal/mol
- -analytic -3.8531 -9.9140e-3 -1.2065e4 5.1424 2.0175e6
-# Range 0-350
- -Vm 21.6217 45.0124 -11.9409 -4.6397 1.15360
-# Extrapol supcrt92
-# Ref SK93
-
-Mn+2 + CH3COOH = MnCH3COO+ + H+
- -llnl_gamma 4.0
- log_k -3.5404
- -delta_H -3.07942 kJ/mol
-# deltafH -169.56 kcal/mol
- -analytic -1.4061e1 1.8149e-3 -8.6438e2 4.0354 2.5831e5
-# Range 0-350
- -Vm 6.0776 7.057 2.9786 -3.0706 0.4555
-# Extrapol supcrt92
-# Ref SK93
-
-Mn+2 + Cl- = MnCl+
- -llnl_gamma 4.0
- log_k 0.3013
- -delta_H 18.3134 kJ/mol
-# deltafH -88.28 kcal/mol
- -analytic 8.7072e1 4.0361e-2 -2.1786e3 -3.6966e1 -3.4022e1
-# Range 0-350
- -Vm 7.25 -1.08 -25.8 -2.73 3.99 5 0 0 0 1 # APP14
-# Extrapol supcrt92
-# Ref SSH97
-
-1.5 H2O + 1.25 O2 + Mn+2 = MnO4- + 3 H+
- -llnl_gamma 3.5
- log_k -20.2963
- -delta_H 123.112 kJ/mol
-# deltafH -129.4 kcal/mol
- -analytic 1.8544e1 -1.7618e-2 -6.7332e3 -3.3193 -2.4924e5
-# Range 0-350
- -Vm 7.8248 11.3277 1.2912 -3.2472 0.9248
-# Extrapol supcrt92
-# Ref SSW+97, SH88
-
-SO4-2 + Mn+2 = MnSO4
- -llnl_gamma 3.0
- log_k 2.3529
- -delta_H 14.1168 kJ/mol
-# deltafH -266.75 kcal/mol
- -analytic 2.9448e2 8.5294e-2 -8.1366e3 -1.1729e2 -1.2705e2
-# Range 0-350
- -Vm -1.31 -1.83 62.3 -2.7 # APP14
-# Extrapol supcrt92
-# Ref SSH97
-
-2 CH3COOH + NH3 = NH4(CH3COO)2- + H+
- -llnl_gamma 4.0
- log_k -0.1928
- -delta_H -56.735 kJ/mol
-# deltafH -265.2 kcal/mol
- -analytic 3.7137e1 -1.2242e-2 -8.4764e3 -8.4308 1.3883e6
-# Range 0-350
- -Vm 19.3685 39.509 -9.7736 -4.4122 0.6495
-# Extrapol supcrt92
-# Ref SK93
-
-NH3 + H+ = NH4+
- -llnl_gamma 2.5
- log_k 9.2410
- -delta_H -51.9234 kJ/mol
-# deltafH -31.85 kcal/mol
- -analytic -1.4527e1 -5.0518e-3 3.0447e3 6.0865 4.7515e1
-# Range 0-350
- -Vm 3.8763 2.3448 8.5605 -2.8759 0.1502
-# Extrapol supcrt92
-# Ref SH88
-
-NH3 + CH3COOH = NH4CH3COO
- -llnl_gamma 3.0
- log_k 4.6964
- -delta_H -48.911 kJ/mol
-# deltafH -147.23 kcal/mol
- -analytic 1.4104e1 -4.3664e-3 -1.0746e3 -3.6999 4.1428e5
-# Range 0-350
- -Vm 11.2849 19.7719 -2.0187 -3.5963 -0.03
-# Extrapol supcrt92
-# Ref SK93
-
-2 CH3COOH + Na+ = Na(CH3COO)2- + 2 H+
- -llnl_gamma 4.0
- log_k -9.9989
- -delta_H -11.5771 kJ/mol
-# deltafH -292.4 kcal/mol
- -analytic -2.9232e2 -5.5708e-2 9.6601e3 1.0772e2 1.5082e2
-# Range 0-350
- -Vm 16.2062 31.7884 -6.7416 -4.0930 0.9633
-# Extrapol supcrt92
-# Ref SK93
-
-Na+ + CH3COOH = NaCH3COO + H+
- -llnl_gamma 3.0
- log_k -4.8606
- -delta_H -0.029288 kJ/mol
-# deltafH -173.54 kcal/mol
- -analytic 6.4833 -1.8739e-3 -2.0902e3 -2.6121 2.3990e5
-# Range 0-350
- -Vm 8.3514 12.6125 0.7884 -3.3003 -0.03
-# Extrapol supcrt92
-# Ref SK93
-
-Na+ + Cl- = NaCl
- -llnl_gamma 3.0
- log_k -0.777
- -delta_H 5.21326 kJ/mol
-# deltafH -96.12 kcal/mol
- -analytic 1.1398e2 3.6386e-2 -3.0847e3 -4.6571e1 -4.8167e1
-# Range 0-350
- -Vm 5.0364 4.5189 3.9669 -2.9658 -0.038
-# Extrapol supcrt92
-# Ref SSH97
-
-Na+ + HCO3- = NaHCO3
- -llnl_gamma 3.0
- log_k 0.1541
- -delta_H -13.7741 kJ/mol
-# deltafH -944.007 kJ/mol
- -analytic -9.0668e1 -2.9866e-2 2.7947e3 3.6515e1 4.7489e1
-# Range 0-200
- -Vm 0.431 # APP14
-# Extrapol 69hel
-# Ref WEP+82
-
-SiO2 + Na+ + H2O = NaHSiO3 + H+
- -llnl_gamma 3.0
- log_k -8.304
- -delta_H 11.6524 kJ/mol
-# deltafH -332.74 kcal/mol
- -analytic 3.6045e1 -9.0411e-3 -6.6605e3 -1.0447e1 5.8415e5
-# Range 0-350
- -Vm 3.4928 0.75 5.4483 -2.8100 -0.038
-# Extrapol supcrt92
-# Ref SSH97
-
-Na+ + H2O = NaOH + H+
- -llnl_gamma 3.0
- log_k -14.7948
- -delta_H 53.6514 kJ/mol
-# deltafH -112.927 kcal/mol
- -analytic 8.7326e1 2.3555e-2 -5.4770e3 -3.6678e1 -8.5489e1
-# Range 0-350
- -Vm 2.2338 -2.3287 6.6683 -2.6826 -0.03
-# Extrapol supcrt92
-# Ref SSW+97, 95pok/hel match
-
-2 CH3COOH + Ni+2 = Ni(CH3COO)2 + 2 H+
- -llnl_gamma 3.0
- log_k -7.1908
- -delta_H -25.8571 kJ/mol
-# deltafH -251.28 kcal/mol
- -analytic -2.9660e1 1.0643e-3 -1.0060e3 7.9358 5.2562e5
-# Range 0-350
- -Vm 11.1327 19.4031 -1.8801 -3.5810 -0.03
-# Extrapol supcrt92
-# Ref SK93
-
-3 CH3COOH + Ni+2 = Ni(CH3COO)3- + 3 H+
- -llnl_gamma 4.0
- log_k -11.3543
- -delta_H -53.6807 kJ/mol
-# deltafH -374.03 kcal/mol
- -analytic 5.0850e1 -8.2435e-3 -1.3049e4 -1.5410e1 1.9704e6
-# Range 0-350
- -Vm 19.5212 39.8827 -9.9226 -4.4277 0.1603
-# Extrapol supcrt92
-# Ref SK93
-
-Ni+2 + CH3COOH = NiCH3COO+ + H+
- -llnl_gamma 4.0
- log_k -3.3278
- -delta_H -10.2508 kJ/mol
-# deltafH -131.45 kcal/mol
- -analytic -3.3110 1.6895e-3 -1.0556e3 2.7168e-2 2.6350e5
-# Range 0-350
- -Vm 4.3556 2.8512 4.6343 -2.8968 0.7287
-# Extrapol supcrt92
-# Ref SK93
-
-Ni+2 + Cl- = NiCl+
- -llnl_gamma 4.0
- log_k -0.9962
- -delta_H 5.99567 kJ/mol
-# deltafH -51.4 kcal/mol
- -analytic 9.5370e1 3.8521e-2 -2.1746e3 -4.0629e1 -3.3961e1
-# Range 0-350
- -Vm 1.1319 -5.0147 7.714 -2.5716 0.8111
-# Extrapol supcrt92
-# Ref SSH97
-
-H2O = OH- + H+
- -llnl_gamma 3.5
- log_k -13.9951
- -delta_H 55.8146 kJ/mol
-# deltafH -54.977 kcal/mol
- -analytic -6.7506e1 -3.0619e-2 -1.9901e3 2.8004e1 -3.1033e1
-# Range 0-350
- -Vm -9.66 28.5 80.0 -22.9 1.89 0 1.09 0 0 1 # APP14
-# Extrapol supcrt92
-# Ref SH88
-
-2 HPO4-2 = P2O7-4 + H2O
- -llnl_gamma 4.0
- log_k -3.7463
- -delta_H 27.2256 kJ/mol
-# deltafH -2271.1 kJ/mol
- -analytic 4.0885e2 1.3243e-1 -1.1373e4 -1.6727e2 -1.7758e2
-# Range 0-350
- -Vm 7.0687 9.4773 2.0273 -3.1707 6.9069
-# Extrapol supcrt92, 64cri/cob
-# Ref SSW+97, WEP+82 differ by 0.1 log K at 0C, 7 log K at 350C !! flag
-
-HPO4-2 = PO4-3 + H+
- -llnl_gamma 4.0
- log_k -12.3218
- -delta_H 14.7068 kJ/mol
-# deltafH -305.3 kcal/mol
- -analytic -7.6170e1 -3.3574e-2 1.3405e2 2.9658e1 2.1140
-# Range 0-350
- -Vm -0.5258 -9.0576 9.2927 -2.4045 5.61140
-# Extrapol supcrt92
-# Ref SSW+97, SH88
-
-2 H+ + 2 SO3-2 = S2O5-2 + H2O
- -llnl_gamma 4.0
- log_k 9.5934
-# deltafH -0 kcal/mol
- -analytic 0.12262e3 0.62883e-1 -0.18005e4 -0.50798e2 -0.28132e2
-# Range 0-350
- -Vm 7.3618 10.1945 1.7414 -3.2003 2.8343 # SSW+97
-# Extrapol supcrt92
-# Ref SSW+97, SH88
-
-2 H+ + SO3-2 = SO2 + H2O
- -llnl_gamma 3.0
- log_k 9.0656
- -delta_H 26.7316 kJ/mol
-# deltafH -77.194 kcal/mol
- -analytic 9.4048e1 6.2127e-2 -1.1072e3 -4.0310e1 -1.7305e1
-# Range 0-350
- -Vm 6.9502 9.189 2.1383 -3.1589 -0.0559
-# Extrapol supcrt92
-# Ref SHS89
-
-2 CH3COOH + Sc+3 = Sc(CH3COO)2+ + 2 H+
- -llnl_gamma 4.0
- log_k -3.7237
- -delta_H -43.1789 kJ/mol
-# deltafH -389.32 kcal/mol
- -analytic -4.1862e1 -3.9443e-5 2.1444e2 1.2616e1 5.5442e5
-# Range 0-350
- -Vm 9.2794 14.8737 -0.0899 -3.3938 0.9706
-# Extrapol supcrt92
-# Ref SK93
-
-3 CH3COOH + Sc+3 = Sc(CH3COO)3 + 3 H+
- -llnl_gamma 3.0
- log_k -6.6777
- -delta_H -70.0402 kJ/mol
-# deltafH -511.84 kcal/mol
- -analytic -5.2525e1 1.6181e-3 7.5022e2 1.3988e1 7.3540e5
-# Range 0-350
- -Vm 16.5277 32.5748 -7.0539 -4.1255 -0.03
-# Extrapol supcrt92
-# Ref SK93
-
-Sc+3 + CH3COOH = ScCH3COO+2 + H+
- -llnl_gamma 4.5
- log_k -1.4294
- -delta_H -21.7568 kJ/mol
-# deltafH -268.1 kcal/mol
- -analytic -2.3400e1 1.3144e-4 1.1125e2 7.3527 3.0025e5
-# Range 0-350
- -Vm 2.7175 -1.1437 6.1937 -2.7316 1.7013
-# Extrapol supcrt92
-# Ref SK93
-
-2 CH3COOH + Sm+3 = Sm(CH3COO)2+ + 2 H+
- -llnl_gamma 4.0
- log_k -4.7132
- -delta_H -25.5224 kJ/mol
-# deltafH -403.5 kcal/mol
- -analytic -1.4192e1 2.1732e-3 -1.0267e3 2.9516 4.4389e5
-# Range 0-350
- -Vm 9.159 14.5839 0.0138 -3.3818 0.6644
-# Extrapol supcrt92
-# Ref SK93
-
-3 CH3COOH + Sm+3 = Sm(CH3COO)3 + 3 H+
- -llnl_gamma 3.0
- log_k -7.8798
- -delta_H -43.5554 kJ/mol
-# deltafH -523.91 kcal/mol
- -analytic -2.0765e1 1.1047e-3 -5.1181e2 3.4797 5.0618e5
-# Range 0-350
- -Vm 16.5088 32.5307 -7.0412 -4.1237 -0.03
-# Extrapol supcrt92
-# Ref SK93
-
-Sm+3 + CH3COOH = SmCH3COO+2 + H+
- -llnl_gamma 4.5
- log_k -1.9205
- -delta_H -13.598 kJ/mol
-# deltafH -284.55 kcal/mol
- -analytic -1.1734e1 1.0889e-3 -5.1061e2 3.3317 2.6395e5
-# Range 0-350
- -Vm 2.6264 -1.3667 6.2827 -2.7224 1.4769
-# Extrapol supcrt92
-# Ref SK93
-
-Sm+3 + HCO3- = SmCO3+ + H+
- -llnl_gamma 4.0
- log_k -2.479
- -delta_H 89.1108 kJ/mol
-# deltafH -308.8 kcal/mol # OBIGT: -331.34 kcal/mol HSS95
- -analytic 2.3486e2 5.3703e-2 -7.0193e3 -9.2863e1 -1.0960e2
-# Range 0-350
- -Vm -1.0455 -10.3293 9.798 -2.3519 1.1907
-# Extrapol supcrt92
-# Ref HSS95
-
-Sm+3 + Cl- = SmCl+2
- -llnl_gamma 4.5
- log_k 0.3086
- -delta_H 14.3637 kJ/mol
-# deltafH -201.7 kcal/mol
- -analytic 9.4972e1 3.9428e-2 -2.4198e3 -3.9718e1 -3.7787e1
-# Range 0-350
- -Vm -0.5006 -8.9988 9.2743 -2.4069 1.4192
-# Extrapol supcrt92
-# Ref HSS95
-
-2 Cl- + Sm+3 = SmCl2+
- -llnl_gamma 4.0
- log_k -0.0425
- -delta_H 19.9409 kJ/mol
-# deltafH -240.3 kcal/mol
- -analytic 2.5872e2 8.4154e-2 -7.2061e3 -1.0493e2 -1.1252e2
-# Range 0-350
- -Vm 2.5888 -1.4617 6.3276 -2.7185 0.6644
-# Extrapol supcrt92
-# Ref HSS95
-
-3 Cl- + Sm+3 = SmCl3
- -llnl_gamma 3.0
- log_k -0.3936
- -delta_H 13.803 kJ/mol
-# deltafH -281.7 kcal/mol
- -analytic 4.9535e2 1.3520e-1 -1.4325e4 -1.9720e2 -2.2367e2
-# Range 0-350
- -Vm 6.0808 7.0673 2.9692 -3.0711 -0.03
-# Extrapol supcrt92
-# Ref HSS95
-
-4 Cl- + Sm+3 = SmCl4-
- -llnl_gamma 4.0
- log_k -0.818
- -delta_H -5.30531 kJ/mol
-# deltafH -326.2 kcal/mol
- -analytic 6.0562e2 1.4212e-1 -1.7982e4 -2.3782e2 -2.8077e2
-# Range 0-350
- -Vm 10.8148 18.6261 -1.5732 -3.5489 1.6917
-# Extrapol supcrt92
-# Ref HSS95
-
-Sm+3 + HPO4-2 + H+ = SmH2PO4+2
- -llnl_gamma 4.5
- log_k 9.4484
- -delta_H -15.8364 kJ/mol
-# deltafH -477.8 kcal/mol
- -analytic 1.2451e2 6.4959e-2 -3.9576e2 -5.3772e1 -6.2124
-# Range 0-350
- -Vm 1.3708 -4.4295 7.4801 -2.5958 1.4867
-# Extrapol supcrt92
-# Ref HSS95
-
-Sm+3 + HCO3- = SmHCO3+2
- -llnl_gamma 4.5
- log_k 1.7724
- -delta_H 9.19643 kJ/mol
-# deltafH -327.9 kcal/mol
- -analytic 5.5520e1 3.3265e-2 -7.3142e2 -2.4727e1 -1.1430e1
-# Range 0-350
- -Vm 0.3694 -6.8727 8.4365 -2.4948 1.2366
-# Extrapol supcrt92
-# Ref HSS95
-
-Sm+3 + NO3- = SmNO3+2
- -llnl_gamma 4.5
- log_k 0.8012
- -delta_H -29.1667 kJ/mol
-# deltafH -221.6 kcal/mol
- -analytic 3.3782e1 2.7125e-2 1.5091e3 -1.8632e1 2.3537e1
-# Range 0-350
- -Vm 1.0908 -5.1124 7.7478 -2.5676 1.5897
-# Extrapol supcrt92
-# Ref HSS95
-
-Sm+3 + H2O = SmO+ + 2 H+
- -llnl_gamma 4.0
- log_k -16.4837
- -delta_H 113.039 kJ/mol
-# deltafH -206.5 kcal/mol # OBIGT: -197.63 kcal/mol HSS95
- -analytic 1.8554e2 3.0198e-2 -1.3791e4 -6.6588e1 -2.1526e2
-# Range 0-350
- -Vm 2.8115 -0.9157 6.1076 -2.741 0.3837
-# Extrapol supcrt92
-# Ref HSS95
-
-2 H2O + Sm+3 = SmO2- + 4 H+
- -llnl_gamma 4.0
- log_k -35.0197
- -delta_H 285.909 kJ/mol
-# deltafH -233.5 kcal/mol # OBIGT: -238.22 kcal/mol HSS95
- -analytic 1.3508e1 -8.3384e-3 -1.0325e4 -1.5506 -6.7392e5
-# Range 0-350
- -Vm 4.9642 4.3393 4.0456 -2.9583 1.0848
-# Extrapol supcrt92
-# Ref HSS95
-
-2 H2O + Sm+3 = SmO2H + 3 H+
- -llnl_gamma 3.0
- log_k -25.9304
- -delta_H 226.497 kJ/mol
-# deltafH -247.7 kcal/mol
- -analytic 3.6882e2 5.3761e-2 -2.4317e4 -1.3305e2 -3.7956e2
-# Range 0-350
- -Vm 4.9296 4.2552 4.0768 -2.9548 -0.03
-# Extrapol supcrt92
-# Ref HSS95
-
-Sm+3 + H2O = SmOH+2 + H+
- -llnl_gamma 4.5
- log_k -7.9808
- -delta_H 79.1487 kJ/mol
-# deltafH -214.6 kcal/mol # OBIGT: -213.97 kcal/mol HSS95
- -analytic 6.3793e1 1.1977e-2 -6.0852e3 -2.2198e1 -9.4972e1
-# Range 0-350
- -Vm 2.7076 -1.1676 6.2027 -2.7306 1.1289
-# Extrapol supcrt92
-# Ref HSS95
-
-Sm+3 + SO4-2 = SmSO4+
- -llnl_gamma 4.0
- log_k 3.6430
- -delta_H 20.0832 kJ/mol
-# deltafH -377.8 kcal/mol
- -analytic 3.0597e2 8.6258e-2 -9.0231e3 -1.2032e2 -1.4089e2
-# Range 0-350
- -Vm -1.3885 -4.3882 7.4678 -2.5975 0.7483
-# Extrapol supcrt92
-# Ref HSS95
-
-UO2+2 + H2O = UO2OH+ + H+
- -llnl_gamma 4.0
- log_k -5.2073
- -delta_H 43.1813 kJ/mol
-# deltafH -1261.66 kJ/mol
- -analytic 3.4387e1 6.0811e-3 -3.3068e3 -1.2252e1 -5.1609e1
-# Range 0-350
- -Vm 4.764 3.8529 4.2318 -2.9382 0.4925 # SSB97
-# Extrapol supcrt92, 64cri/cob
-# Ref SSW+97, 92gre/fug match
-
-2 CH3COOH + Zn+2 = Zn(CH3COO)2 + 2 H+
- -llnl_gamma 3.0
- log_k -6.062
- -delta_H -11.0458 kJ/mol
-# deltafH -271.5 kcal/mol
- -analytic -2.2038e1 2.6133e-3 -2.7652e3 6.8501 6.7086e5
-# Range 0-350
- -Vm 11.7443 20.8978 -2.4707 -3.6429 -0.038
-# Extrapol supcrt92
-# Ref SSH97, SK93
-
-3 CH3COOH + Zn+2 = Zn(CH3COO)3- + 3 H+
- -llnl_gamma 4.0
- log_k -10.0715
- -delta_H 25.355 kJ/mol
-# deltafH -378.9 kcal/mol
- -analytic 3.5104e1 -6.1568e-3 -1.3379e4 -8.7697 2.0670e6
-# Range 0-350
- -Vm 20.0332 41.1373 -10.4257 -4.4796 1.2513
-# Extrapol supcrt92
-# Ref SSH97, SK93
-
-Zn+2 + CH3COOH = ZnCH3COO+ + H+
- -llnl_gamma 4.0
- log_k -3.1519
- -delta_H -9.87424 kJ/mol
-# deltafH -155.12 kcal/mol
- -analytic -7.9367 2.8564e-3 -1.4514e3 2.5010 2.3343e5
-# Range 0-350
- -Vm 4.8484 4.06 4.1473 -2.9468 0.41
-# Extrapol supcrt92
-# Ref SSH97, SK93
-
-Zn+2 + Cl- = ZnCl+
- -llnl_gamma 4.0
- log_k 0.1986
- -delta_H 43.317 kJ/mol
-# deltafH -66.24 kcal/mol
- -analytic 1.1235e2 4.4461e-2 -4.1662e3 -4.5023e1 -6.5042e1
-# Range 0-350
- -Vm 14.8 -3.91 -105.7 -2.62 0.203 4 0 0 -5.05e-2 1 # APP14
-# Extrapol supcrt92
-# Ref SSH97
-
-2 Cl- + Zn+2 = ZnCl2
- -llnl_gamma 3.0
- log_k 0.2507
- -delta_H 31.1541 kJ/mol
-# deltafH -109.08 kcal/mol
- -analytic 1.7824e2 7.5733e-2 -4.6251e3 -7.4770e1 -7.2224e1
-# Range 0-350
- -Vm -10.1 4.57 241 -2.97 -1e-3 # APP14
-# Extrapol supcrt92
-# Ref SSH97
-
-3 Cl- + Zn+2 = ZnCl3-
- -llnl_gamma 4.0
- log_k -0.0198
- -delta_H 22.5894 kJ/mol
-# deltafH -151.06 kcal/mol
- -analytic 1.3889e2 7.4712e-2 -2.1527e3 -6.2200e1 -3.3633e1
-# Range 0-350
- -Vm 0.772 15.5 -0.349 -3.42 1.25 0 -7.77 0 0 1 # APP14
-# Extrapol supcrt92
-# Ref SSH97
-
-4 Cl- + Zn+2 = ZnCl4-2
- -llnl_gamma 4.0
- log_k 0.8605
- -delta_H 4.98733 kJ/mol
-# deltafH -195.2 kcal/mol
- -analytic 8.4294e1 7.0021e-2 3.9150e2 -4.2664e1 6.0834
-# Range 0-300
- -Vm 28.42 28 -5.26 -3.94 2.67 0 0 0 4.62e-2 1 # APP14
-# Extrapol supcrt92
-# Ref SSH97?
-
-Zn+2 + H2O = ZnOH+ + H+
- -llnl_gamma 4.0
- log_k -8.96
-# deltafH -0 kcal/mol
- -analytic -7.8600e-1 -2.9499e-4 -2.8673e3 6.1892e-1 -4.2576e1
-# Range 25-300
- -Vm 1.1499 -4.9677 7.6896 -2.5735 0.326
-# Extrapol supcrt92, ?
-# Ref SSW+97, 87bou/bar differ by 0.8 log K at 0C, 2.7 log K at 300C
-
-Zn+2 + SO4-2 = ZnSO4
- -llnl_gamma 3.0
- log_k 2.3062
- -delta_H 15.277 kJ/mol
-# deltafH -1047.71 kJ/mol
- -analytic 1.3640e2 5.1256e-2 -3.4422e3 -5.5695e1 -5.8501e1
-# Range 0-200
- -Vm 2.51 0 18.8 # APP14
-# Extrapol 69hel
-# Ref WEP+82
-
-PHASES
-
-#------------
-# 375 solids
-#------------
-
-[(6)(CB)(CB)S]
- S + O2 = SO2
- log_k 63.04
- -analytic 137.16 -0.320465 0 0 0 0.000241
-# Range 0-350
- -Vm 16.5
-# Extrapol supcrt92
-# Ref R01, calculations and fit by N17
-
-[(aro)-O-(aro)]
- O = 0.5 O2
- log_k -20.610681
- -delta_H 30.240 kcal/mol
- -analytic -46.6 0.111 0 0 0 -7.99e-5
-# Range 0-350
- -Vm -2.4
-# Extrapol supcrt92
-# Ref RH98
-
-Afwillite
- Ca3Si2O4(OH)6 + 6 H+ = 2 SiO2 + 3 Ca+2 + 6 H2O
- log_k 60.0452
- -delta_H -316.059 kJ/mol
-# deltafH -1143.31 kcal/mol
- -analytic 1.8353e1 1.9014e-3 1.8478e4 -6.6311 -4.0227e5
-# Range 0-300
- -Vm 129.23 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 82sar/bar
-
-Akermanite
- Ca2MgSi2O7 + 6 H+ = Mg+2 + 2 Ca+2 + 2 SiO2 + 3 H2O
- log_k 45.3190
- -delta_H -288.575 kJ/mol
-# deltafH -926.497 kcal/mol
- -analytic -4.8295e1 -8.5613e-3 2.0880e4 1.3798e1 -7.1975e5
-# Range 0-350
- -Vm 92.81
-# Extrapol supcrt92
-# Ref HDN+78
-
-Al
- Al + 3 H+ + 0.75 O2 = Al+3 + 1.5 H2O
- log_k 149.9292
- -delta_H -958.059 kJ/mol
-# deltafH 0 kJ/mol
- -analytic -1.8752e2 -4.6187e-2 5.7127e4 6.6270e1 -3.8952e5
-# Range 0-300
- -Vm 9.99 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref CWM89
-
-Al2(SO4)3
- Al2(SO4)3 = 2 Al+3 + 3 SO4-2
- log_k 19.0535
- -delta_H -364.566 kJ/mol
-# deltafH -3441.04 kJ/mol
- -analytic -6.1001e2 -2.4268e-1 2.9194e4 2.4383e2 4.5573e2
-# Range 0-300
- -Vm 126.25 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref RHF79
-
-Alabandite
- MnS + H+ = HS- + Mn+2
- log_k -0.3944
- -delta_H -23.3216 kJ/mol
-# deltafH -51 kcal/mol
- -analytic -1.5515e2 -4.8820e-2 4.9049e3 6.1765e1 7.6583e1
-# Range 0-350
- -Vm 21.46
-# Extrapol supcrt92
-# Ref HDN+78
-
-Albite
- NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2
- log_k 2.7645
- -delta_H -51.8523 kJ/mol
-# deltafH -939.68 kcal/mol
- -analytic -1.1694e1 1.4429e-2 1.3784e4 -7.2866 -1.6136e6
-# Range 0-350
- -Vm 100.25
-# Extrapol supcrt92
-# Ref HDN+78
-
-Albite_high
- NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2
- log_k 4.0832
- -delta_H -62.8562 kJ/mol
-# deltafH -937.05 kcal/mol
- -analytic -1.8957e1 1.3726e-2 1.4801e4 -4.9732 -1.6442e6
-# Range 0-350
- -Vm 100.25
-# Extrapol supcrt92
-# Ref HDN+78
-
-Albite_low
- NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2
- log_k 2.7645
- -delta_H -51.8523 kJ/mol
-# deltafH -939.68 kcal/mol
- -analytic -1.2860e1 1.4481e-2 1.3913e4 -6.9417 -1.6256e6
-# Range 0-350
- -Vm 100.25
-# Extrapol supcrt92
-# Ref HDN+78
-
-Alum-K
- KAl(SO4)2:12H2O = Al+3 + K+ + 2 SO4-2 + 12 H2O
- log_k -4.8818
- -delta_H 14.4139 kJ/mol
-# deltafH -1447 kcal/mol
- -analytic -8.8025e2 -2.5706e-1 2.2399e4 3.5434e2 3.4978e2
-# Range 0-300
- -Vm 269.54 # Marion+09
-# Extrapol Cp integration
-# Ref 73bar/kna
-
-Alunite
- KAl3(OH)6(SO4)2 + 6 H+ = K+ + 2 SO4-2 + 3 Al+3 + 6 H2O
- log_k -0.3479
- -delta_H -231.856 kJ/mol
-# deltafH -1235.6 kcal/mol
- -analytic -6.8581e2 -2.2455e-1 2.6886e4 2.6758e2 4.1973e2
-# Range 0-350
- -Vm 205.40 # thermo.com.V8.R6+.tdat
-# Extrapol supcrt92
-# Ref HDN+78
-
-Amesite-14A
- Mg4Al4Si2O10(OH)8 + 20 H+ = 2 SiO2 + 4 Al+3 + 4 Mg+2 + 14 H2O
- log_k 75.4571
- -delta_H -797.098 kJ/mol
-# deltafH -2145.67 kcal/mol
- -analytic -5.4326e2 -1.4144e-1 5.4150e4 1.9361e2 8.4512e2
-# Range 0-300
- -Vm 205.4
-# Extrapol Cp integration
-# Ref 78wol
-
-Analcime
- Na.96Al.96Si2.04O6:H2O + 3.84 H+ = 0.96 Al+3 + 0.96 Na+ + 2.04 SiO2 + 2.92 H2O
- log_k 6.1396
- -delta_H -75.844 kJ/mol
-# deltafH -3296.86 kJ/mol
- -analytic -6.8694 6.6052e-3 9.8260e3 -4.8540 -8.8780e5
-# Range 0-350
- -Vm 97.1 # 96.8 in thermo.com.V8.R6+.tdat
-# Extrapol supcrt92, Cp integration
-# Ref HDN+78, 82joh/flo match but differ from Wilson+06 by 1 log K at 0C, 0 log K a 300C
-
-Andalusite
- Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O
- log_k 15.9445
- -delta_H -235.233 kJ/mol
-# deltafH -615.866 kcal/mol
- -analytic -7.1115e1 -3.2234e-2 1.2308e4 2.2357e1 1.9208e2
-# Range 0-350
- -Vm 51.53
-# Extrapol supcrt92
-# Ref HDN+78 differ by 1.6 log K at 0C, 0.5 log K at 350C
-
-Andradite
- Ca3Fe2(SiO4)3 + 12 H+ = 2 Fe+3 + 3 Ca+2 + 3 SiO2 + 6 H2O
- log_k 33.3352
- -delta_H -301.173 kJ/mol
-# deltafH -1380.35 kcal/mol
- -analytic 1.3884e1 -2.3886e-2 1.5314e4 -8.1606 -4.2193e5
-# Range 0-350
- -Vm 131.85
-# Extrapol supcrt92
-# Ref HDN+78
-
-Anhydrite
- CaSO4 = Ca+2 + SO4-2
- log_k -4.3064
- -delta_H -18.577 kJ/mol
-# deltafH -342.76 kcal/mol
- -analytic -2.0986e2 -7.8823e-2 5.0969e3 8.5642e1 7.9594e1
-# Range 0-350
- -Vm 45.94 # thermo.com.V8.R6+.tdat
-# Extrapol supcrt92
-# Ref HDN+78
-
-Annite
- KFe3AlSi3O10(OH)2 + 10 H+ = Al+3 + K+ + 3 Fe+2 + 3 SiO2 + 6 H2O
- log_k 29.4693
- -delta_H -259.964 kJ/mol
-# deltafH -1232.19 kcal/mol
- -analytic -4.0186e1 -1.4238e-2 1.8929e4 7.9859e0 -8.4343e5
-# Range 0-350
- -Vm 154.32
-# Extrapol supcrt92
-# Ref HDN+78
-
-Anorthite
- CaAl2(SiO4)2 + 8 H+ = Ca+2 + 2 Al+3 + 2 SiO2 + 4 H2O
- log_k 26.5780
- -delta_H -303.039 kJ/mol
-# deltafH -1007.55 kcal/mol
- -analytic 3.9717e-1 -1.8751e-2 1.4897e4 -6.3078 -2.3885e5
-# Range 0-350
- -Vm 100.79
-# Extrapol supcrt92
-# Ref HDN+78
-
-Anthophyllite
- Mg7Si8O22(OH)2 + 14 H+ = 7 Mg+2 + 8 H2O + 8 SiO2
- log_k 66.7965
- -delta_H -483.486 kJ/mol
-# deltafH -2888.75 kcal/mol
- -analytic -1.2865e2 1.9705e-2 5.4853e4 1.9444e1 -3.8080e6
-# Range 0-350
- -Vm 264.4
-# Extrapol supcrt92
-# Ref HDN+78
-
-Antigorite
- Mg48Si34O85(OH)62 + 96 H+ = 34 SiO2 + 48 Mg+2 + 79 H2O
- log_k 477.1943
- -delta_H -3364.43 kJ/mol
-# deltafH -17070.9 kcal/mol
- -analytic -8.1630e2 -6.7780e-2 2.5998e5 2.2029e2 -9.3275e6
-# Range 0-350
- -Vm 1749.13
-# Extrapol supcrt92
-# Ref HDN+78
-
-Aragonite
- CaCO3 + H+ = Ca+2 + HCO3-
- log_k 1.9931
- -delta_H -25.8027 kJ/mol
-# deltafH -288.531 kcal/mol
- -analytic -1.4934e2 -4.8043e-2 4.9089e3 6.0284e1 7.6644e1
-# Range 0-325
- -Vm 34.15 # thermo.com.V8.R6+.tdat
-# Extrapol supcrt92
-# Ref HDN+78
-
-Arcanite
- K2SO4 = SO4-2 + 2 K+
- log_k -1.8008
- -delta_H 23.836 kJ/mol
-# deltafH -1437.78 kJ/mol
- -analytic -1.6428e2 -6.7762e-2 1.9879e3 7.1116e1 3.1067e1
-# Range 0-300
- -Vm 65.50 # Marion+05
-# Extrapol Cp integration
-# Ref RHF79
-
-Artinite
- Mg2CO3(OH)2:3H2O + 3 H+ = HCO3- + 2 Mg+2 + 5 H2O
- log_k 19.6560
- -delta_H -130.432 kJ/mol
-# deltafH -698.043 kcal/mol
- -analytic -2.8614e2 -6.7344e-2 1.5230e4 1.1104e2 2.3773e2
-# Range 0-350
- -Vm 96.9 # 97.85 Webmineral.com
-# Extrapol supcrt92
-# Ref HDN+78
-
-Atacamite
- Cu4Cl2(OH)6 + 6 H+ = 2 Cl- + 4 Cu+2 + 6 H2O
- log_k 14.2836
- -delta_H -132.001 kJ/mol
-# deltafH -1654.43 kJ/mol
- -analytic -2.6623e2 -4.8121e-2 1.5315e4 9.8395e1 2.6016e2
-# Range 0-200
- -Vm 56.80 # Webmineral.com
-# Extrapol Constant H approx
-# Ref 87woo/gar
-
-Azurite
- Cu3(CO3)2(OH)2 + 4 H+ = 2 H2O + 2 HCO3- + 3 Cu+2
- log_k 9.1607
- -delta_H -122.298 kJ/mol
-# deltafH -390.1 kcal/mol
- -analytic -4.4042e2 -1.1934e-1 1.8053e4 1.7158e2 2.8182e2
-# Range 0-350
- -Vm 91.01
-# Extrapol supcrt92
-# Ref HDN+78
-
-B
- B + 1.5 H2O + 0.75 O2 = B(OH)3
- log_k 109.5654
- -delta_H -636.677 kJ/mol
-# deltafH 0 kJ/mol
- -analytic 8.0471e1 1.2577e-3 2.9653e4 -2.8593e1 4.6268e2
-# Range 0-300
- -Vm 4.386 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref CWM89
-
-B2O3
- B2O3 + 3 H2O = 2 B(OH)3
- log_k 5.5464
- -delta_H -18.0548 kJ/mol
-# deltafH -1273.5 kJ/mol
- -analytic 9.0905e1 5.5365e-3 -2.6629e3 -3.1553e1 -4.1578e1
-# Range 0-300
- -Vm 28.30 # gfw/density
-# Extrapol Cp integration
-# Ref CWM89
-
-Bassanite
- CaSO4:0.5H2O = 0.5 H2O + Ca+2 + SO4-2
- log_k -3.6615
- -delta_H -18.711 kJ/mol
-# deltafH -1576.89 kJ/mol
- -analytic -2.2010e2 -8.0230e-2 5.5092e3 8.9651e1 8.6031e1
-# Range 0-300
- -Vm 52.31 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref WEP+82
-
-Bassetite
- Fe(UO2)2(PO4)2 + 2 H+ = Fe+2 + 2 HPO4-2 + 2 UO2+2
- log_k -17.7240
- -delta_H -114.841 kJ/mol
-# deltafH -1099.33 kcal/mol
- -analytic -5.7788e1 -4.5400e-2 4.0119e3 1.6216e1 6.8147e1
-# Range 0-200
- -Vm 256.19 # Webmineral.com
-# Extrapol Constant H approx
-# Ref 78lan
-
-Beidellite-Ca
- Ca.175Al2.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Ca+2 + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
- log_k 5.5914
- -delta_H -162.403 kJ/mol
-# deltafH -1370.66 kcal/mol
- -analytic 3.872e1 -1.431e-1 0 0 0 9.036e-5
-# Range 0-300
- -Vm 133.081
-# Extrapol supcrt92, Cp integration
-# Ref Catalano13, 78 wol differ by 1.5 log K at 0C, 1 log K at 300C
-
-Beidellite-Fe
- Fe.175Al2.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Fe+2 + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
- log_k 4.6335
- -delta_H -154.65 kJ/mol
-# deltafH -1351.1 kcal/mol
- -analytic 3.641e1 -1.391e-1 0 0 0 8.671e-5
-# Range 0-300
- -Vm 134.293
-# Extrapol supcrt92
-# Ref Catalano13
-
-Beidellite-K
- K.35Al2.35Si3.65O10(OH)2 +7.4 H+ = 0.35 K+ + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
- log_k 5.3088
- -delta_H -150.834 kJ/mol
-# deltafH -1371.9 kcal/mol
- -analytic 3.307e1 -1.254e-1 0 0 0 7.660e-5
-# Range 0-300
- -Vm 137.214
-# Extrapol supcrt92, Cp integration
-# Ref Catalano13, 78 wol differ by 2.9 log K at 0C, 1.7 log K at 300C
-
-Beidellite-Mg
- Mg.175Al2.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Mg+2 + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
- log_k 5.5537
- -delta_H -165.455 kJ/mol
-# deltafH -1366.89 kcal/mol
- -analytic 3.750e1 -1.415e-1 0 0 0 8.929e-5
-# Range 0-300
- -Vm 132.116
-# Extrapol supcrt92, Cp integration
-# Ref Catalano13, 78 wol differ by 2.4 log K at 0C, 1.4 log K at 300C
-
-Beidellite-Na
- Na.35Al2.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Na+ + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
- log_k 5.6473
- -delta_H -155.846 kJ/mol
-# deltafH -1369.76 kcal/mol
- -analytic 3.613e1 -1.347e-1 0 0 0 8.470e-5
-# Range 0-300
- -Vm 134.522
-# Extrapol supcrt92, Cp integration
-# Ref Catalano13, differ from 78 wol and Wilson+06 (which match) by 2.8 log K at 0C, 1.3 log K at 300C
-
-Berlinite
- AlPO4 + H+ = Al+3 + HPO4-2
- log_k -7.2087
- -delta_H -96.6313 kJ/mol
-# deltafH -1733.85 kJ/mol
- -analytic -2.8134e2 -9.9933e-2 1.0308e4 1.0883e2 1.6094e2
-# Range 0-300
- -Vm 46.19 # Webmineral.com
-# Extrapol Cp integration
-# Ref WEP+82
-
-Bieberite
- CoSO4:7H2O = Co+2 + SO4-2 + 7 H2O
- log_k -2.5051
- -delta_H 11.3885 kJ/mol
-# deltafH -2980.02 kJ/mol
- -analytic -2.6405e2 -7.2497e-2 6.6673e3 1.0538e2 1.0411e2
-# Range 0-300
- -Vm 147.95 # Webmineral.com
-# Extrapol Cp integration
-# Ref WEP+82
-
-Bixbyite
- Mn2O3 + 6 H+ = 2 Mn+3 + 3 H2O
- log_k -0.9655
- -delta_H -190.545 kJ/mol
-# deltafH -958.971 kJ/mol
- -analytic -1.1600e2 -2.8056e-3 1.3418e4 2.8639e1 2.0941e2
-# Range 0-300
- -Vm 31.89 # Webmineral.com, density 4.95
-# Extrapol Cp integration
-# Ref RHF79
-
-Boehmite
- AlO2H + 3 H+ = Al+3 + 2 H2O
- log_k 7.5642
- -delta_H -113.282 kJ/mol
-# deltafH -238.24 kcal/mol
- -analytic -1.2196e2 -3.1138e-2 8.8643e3 4.4075e1 1.3835e2
-# Range 0-225
- -Vm 19.535
-# Extrapol supcrt92
-# Ref HDN+78, 95pok/hel
-
-Borax
- Na2(B4O5(OH)4):8H2O + 2 H+ = 2 Na+ + 4 B(OH)3 + 5 H2O
- log_k 12.0395
- -delta_H 80.5145 kJ/mol
-# deltafH -6288.44 kJ/mol
- -analytic 7.8374e1 1.9328e-2 -5.3279e3 -2.1914e1 -8.3160e1
-# Range 0-300
- -Vm 222.66 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref WEP+82
-
-Boric_acid
- B(OH)3 = B(OH)3
- log_k -0.1583
- -delta_H 20.2651 kJ/mol
-# deltafH -1094.8 kJ/mol
- -analytic 3.9122e1 6.4058e-3 -2.2525e3 -1.3592e1 -3.5160e1
-# Range 0-300
- -Vm 43.09 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref CWM89
-
-Bornite
- Cu5FeS4 + 4 H+ = Cu+2 + Fe+2 + 4 Cu+ + 4 HS-
- log_k -102.4369
- -delta_H 530.113 kJ/mol
-# deltafH -79.922 kcal/mol
- -analytic -7.0495e2 -2.0082e-1 -9.1376e3 2.8004e2 -1.4238e2
-# Range 0-350
- -Vm 98.6
-# Extrapol supcrt92
-# Ref HDN+78
-
-Brezinaite
- Cr3S4 + 4 H+ = Cr+2 + 2 Cr+3 + 4 HS-
- log_k 2.7883
- -delta_H -216.731 kJ/mol
-# deltafH -111.9 kcal/mol
- -analytic -7.0528e1 -3.6568e-2 1.0598e4 1.9665e1 1.8000e2
-# Range 0-200
- -Vm 69.16 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 78vau/cra
-
-Brochantite
- Cu4(SO4)(OH)6 + 6 H+ = SO4-2 + 4 Cu+2 + 6 H2O
- log_k 15.4363
- -delta_H -163.158 kJ/mol
-# deltafH -2198.72 kJ/mol
- -analytic -2.3609e2 -3.9046e-2 1.5970e4 8.4701e1 2.7127e2
-# Range 0-200
- -Vm 113.60 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref 87woo/gar
-
-Brucite
- Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O
- log_k 16.2980
- -delta_H -111.34 kJ/mol
-# deltafH -221.39 kcal/mol
- -analytic -1.0280e2 -1.9759e-2 9.0180e3 3.8282e1 1.4075e2
-# Range 0-350
- -Vm 24.63
-# Extrapol supcrt92
-# Ref HDN+78
-
-Bunsenite
- NiO + 2 H+ = H2O + Ni+2
- log_k 12.4719
- -delta_H -100.069 kJ/mol
-# deltafH -57.3 kcal/mol
- -analytic -8.1664e1 -1.9796e-2 7.4064e3 3.0385e1 1.1559e2
-# Range 0-350
- -Vm 10.97
-# Extrapol supcrt92
-# Ref HDN+78
-
-C
- C + H2O + O2 = H+ + HCO3-
- log_k 64.1735
- -delta_H -391.961 kJ/mol
-# deltafH 0 kcal/mol
- -analytic -3.5556e1 -3.3691e-2 1.9774e4 1.7548e1 3.0856e2
-# Range 0-350
- -Vm 5.298
-# Extrapol supcrt92
-# Ref HDN+78
-
-Ca
- Ca +2 H+ + 0.5 O2 = Ca+2 + H2O
- log_k 139.8465
- -delta_H -822.855 kJ/mol
-# deltafH 0 kJ/mol
- -analytic -1.1328e2 -2.6554e-2 4.7638e4 4.1989e1 -2.3545e5
-# Range 0-300
- -Vm 26.19 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref CWM89
-
-Ca-Al_Pyroxene
- CaAl2SiO6 + 8 H+ = Ca+2 + SiO2 + 2 Al+3 + 4 H2O
- log_k 35.9759
- -delta_H -361.548 kJ/mol
-# deltafH -783.793 kcal/mol
- -analytic -1.4664e2 -5.0409e-2 2.1045e4 5.1318e1 3.2843e2
-# Range 0-350
- -Vm 63.5
-# Extrapol supcrt92
-# Ref HDN+78
-
-Ca3Al2O6
- Ca3Al2O6 + 12 H+ = 2 Al+3 + 3 Ca+2 + 6 H2O
- log_k 113.0460
- -delta_H -833.336 kJ/mol
-# deltafH -857.492 kcal/mol
- -analytic -2.7163e2 -5.2897e-2 5.0815e4 9.2946e1 8.6300e2
-# Range 0-200
- -Vm 88.94 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref 82sar/bar
-
-Ca4Al2Fe2O10
- Ca4Al2Fe2O10 + 20 H+ = 2 Al+3 + 2 Fe+3 + 4 Ca+2 + 10 H2O
- log_k 140.5050
- -delta_H -1139.86 kJ/mol
-# deltafH -1211 kcal/mol
- -analytic -4.1808e2 -8.2787e-2 7.0288e4 1.4043e2 1.1937e3
-# Range 0-200
- -Vm 130.28 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref 82sar/bar
-
-CaAl2O4
- CaAl2O4 + 8 H+ = Ca+2 + 2 Al+3 + 4 H2O
- log_k 46.9541
- -delta_H -436.952 kJ/mol
-# deltafH -555.996 kcal/mol
- -analytic -3.0378e2 -7.9356e-2 3.0096e4 1.1049e2 4.6971e2
-# Range 0-300
- -Vm 53.02 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 82sar/bar
-
-CaAl4O7
- CaAl4O7 + 14 H+ = Ca+2 + 4 Al+3 + 7 H2O
- log_k 68.6138
- -delta_H -718.464 kJ/mol
-# deltafH -951.026 kcal/mol
- -analytic -3.1044e2 -6.7078e-2 4.4566e4 1.0085e2 7.5689e2
-# Range 0-200
- -Vm 89.35 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref 82sar/bar
-
-CaUO4
- CaUO4 + 4 H+ = Ca+2 + UO2+2 + 2 H2O
- log_k 15.9420
- -delta_H -131.46 kJ/mol
-# deltafH -2002.3 kJ/mol
- -analytic -8.7902e1 -1.9810e-2 9.2354e3 3.1832e1 1.4414e2
-# Range 0-300
- -Vm 45.92 # M13
-# Extrapol Cp integration
-# Ref 92gre/fug
-
-Calcite
- CaCO3 + H+ = Ca+2 + HCO3-
- log_k 1.8487
- -delta_H -25.7149 kJ/mol
-# deltafH -288.552 kcal/mol
- -analytic -1.4978e2 -4.8370e-2 4.8974e3 6.0458e1 7.6464e1
-# Range 0-350
- -Vm 36.934
-# Extrapol supcrt92
-# Ref HDN+78
-
-Cattierite
- CoS2 = Co+2 + S2-2
- log_k -29.9067
-# deltafH -36.589 kcal/mol
- -analytic -2.1970e2 -7.8585e-2 -1.9592e3 8.8809e1 -3.0507e1
-# Range 0-300
- -Vm 25.53 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 78vau/cra
-
-Celadonite
- KMgAlSi4O10(OH)2 + 6 H+ = Al+3 + K+ + Mg+2 + 4 H2O + 4 SiO2
- log_k 7.4575
- -delta_H -74.3957 kJ/mol
-# deltafH -1394.9 kcal/mol
- -analytic -3.3097e1 1.7989e-2 1.8919e4 -2.1219 -2.0588e6
-# Range 0-300
- -Vm 157.1
-# Extrapol supcrt92, Cp integration
-# Ref HDN+78, 78wol match
-
-Chalcanthite
- CuSO4:5H2O = Cu+2 + SO4-2 + 5 H2O
- log_k -2.6215
- -delta_H 6.57556 kJ/mol
-# deltafH -2279.68 kJ/mol
- -analytic -1.1262e2 -1.5544e-2 3.6176e3 4.1420e1 6.1471e1
-# Range 0-200
- -Vm 108.97 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref WEP+82
-
-Chalcedony
- SiO2 = SiO2
- log_k -3.7281
- -delta_H 31.4093 kJ/mol
-# deltafH -217.282 kcal/mol
- -analytic -9.0068 9.3241e-3 4.0535e3 -1.0830 -7.5077e5
-# Range 0-350
- -Vm 22.68
-# Extrapol supcrt92
-# Ref HDN+78
-
-Chalcocite
- Cu2S + H+ = HS- + 2 Cu+
- log_k -34.7342
- -delta_H 206.748 kJ/mol
-# deltafH -19 kcal/mol
- -analytic -1.3703e2 -4.0727e-2 -7.1694e3 5.5963e1 -1.1183e2
-# Range 0-350
- -Vm 27.48
-# Extrapol supcrt92
-# Ref HDN+78
-
-Chalcocyanite
- CuSO4 = Cu+2 + SO4-2
- log_k 2.9239
- -delta_H -72.5128 kJ/mol
-# deltafH -771.4 kJ/mol
- -analytic 5.8173 -1.6933e-2 2.0097e3 -1.8583 3.4126e1
-# Range 0-200
- -Vm 40.88 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref CWM89
-
-Chalcopyrite
- CuFeS2 + 2 H+ = Cu+2 + Fe+2 + 2 HS-
- log_k -32.5638
- -delta_H 127.206 kJ/mol
-# deltafH -44.453 kcal/mol
- -analytic -3.1575e2 -9.8947e-2 8.3400e2 1.2522e2 1.3106e1
-# Range 0-350
- -Vm 42.83
-# Extrapol supcrt92
-# Ref HDN+78
-
-Chamosite
- Fe5Al2Si3O10(OH)8 + 16 H+ = 3 SiO2 + 2 Al+3 + 5 Fe+2 + 12 H2O
- log_k 32.8416
- -delta_H -364.213 kJ/mol
-# deltafH -902.407 kcal/mol
- -analytic 1.577e2 -4.614e-1 0 0 0 3.413e-4
-# Range 0-300
- -Vm 213.42
-# Extrapol supcrt92
-# Ref Wilson+06
-
-Chloromagnesite
- MgCl2 = Mg+2 + 2 Cl-
- log_k 21.8604
- -delta_H -158.802 kJ/mol
-# deltafH -641.317 kJ/mol
- -analytic -2.3640e2 -8.2017e-2 1.3480e4 9.5963e1 2.1042e2
-# Range 0-300
- -Vm 40.95 # Webmineral.com
-# Extrapol Cp integration
-# Ref RHF79
-
-Chromite
- FeCr2O4 + 8 H+ = Fe+2 + 2 Cr+3 + 4 H2O
- log_k 15.1685
- -delta_H -267.755 kJ/mol
-# deltafH -1444.83 kJ/mol
- -analytic -1.9060e2 -2.5695e-2 1.9465e4 5.9865e1 3.0379e2
-# Range 0-300
- -Vm 44.01 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref WEP+82
-
-Chrysotile
- Mg3Si2O5(OH)4 + 6 H+ = 2 SiO2 + 3 Mg+2 + 5 H2O
- log_k 31.1254
- -delta_H -218.041 kJ/mol
-# deltafH -1043.12 kcal/mol
- -analytic -9.2462e1 -1.1359e-2 1.8312e4 2.9289e1 -6.2342e5
-# Range 0-350
- -Vm 108.5
-# Extrapol supcrt92
-# Ref HDN+78
-
-Clinochlore-14A
- Mg5Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Mg+2 + 12 H2O
- log_k 67.2391
- -delta_H -612.379 kJ/mol
-# deltafH -2116.96 kcal/mol
- -analytic -2.0441e2 -6.2268e-2 3.5388e4 6.9239e1 5.5225e2
-# Range 0-350
- -Vm 207.11
-# Extrapol supcrt92
-# Ref HDN+78, Wilson+06 differ by 0.4 log K at 0C, 1.6 log K at 300C
-
-Clinochlore-7A
- Mg5Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Mg+2 + 12 H2O
- log_k 70.6124
- -delta_H -628.14 kJ/mol
-# deltafH -2113.2 kcal/mol
- -analytic -2.1644e2 -6.4187e-2 3.6548e4 7.4123e1 5.7037e2
-# Range 0-350
- -Vm 211.5
-# Extrapol supcrt92
-# Ref HDN+78
-
-Clinoptilolite-Ca
- Ca1.7335Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 1.7335 Ca+2 + 3.45 Al+3 + 14.533 SiO2 + 17.856 H2O
- log_k -7.0095
- -delta_H -74.6745 kJ/mol
-# deltafH -4919.84 kcal/mol
- -analytic -4.4820e1 5.3696e-2 5.4878e4 -3.1459e1 -7.5491e6
-# Range 0-300
- -Vm 625.19 # Webmineral.com, density 2.15
-# Extrapol Cp integration
-# Ref 89db 7
-
-Clinoptilolite-K
- K3.467Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 K+ + 14.533 SiO2 + 17.856 H2O
- log_k -10.9485
- -delta_H 67.4862 kJ/mol
-# deltafH -4937.77 kcal/mol
- -analytic 1.1697e1 6.9480e-2 4.7718e4 -4.7442e1 -7.6907e6
-# Range 0-300
- -Vm 655.93 # Webmineral.com, density 2.15
-# Extrapol Cp integration
-# Ref 89db 7
-
-Clinoptilolite-Na
- Na3.467Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Na+ + 14.533 SiO2 + 17.856 H2O
- log_k -7.1363
- -delta_H 2.32824 kJ/mol
-# deltafH -4912.36 kcal/mol
- -analytic -3.4572e1 6.8377e-2 5.1962e4 -3.3426e1 -7.5586e6
-# Range 0-300
- -Vm 629.95 # Webmineral.com, density 2.15
-# Extrapol Cp integration
-# Ref 89db 7
-
-Clinozoisite
- Ca2Al3Si3O12(OH) + 13 H+ = 2 Ca+2 + 3 Al+3 + 3 SiO2 + 7 H2O
- log_k 43.2569
- -delta_H -457.755 kJ/mol
-# deltafH -1643.78 kcal/mol
- -analytic -2.8690e1 -3.7056e-2 2.2770e4 3.7880 -2.5834e5
-# Range 0-300
- -Vm 136.2
-# Extrapol supcrt92
-# Ref HDN+78, SH88
-
-Co
- Co + 2 H+ + 0.5 O2 = Co+2 + H2O
- log_k 52.5307
- -delta_H -337.929 kJ/mol
-# deltafH 0 kJ/mol
- -analytic -6.2703e1 -2.0172e-2 1.8888e4 2.3391e1 2.9474e2
-# Range 0-300
- -Vm 6.67 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref RHF79
-
-Co2SiO4
- Co2SiO4 + 4 H+ = SiO2 + 2 Co+2 + 2 H2O
- log_k 6.6808
- -delta_H -88.6924 kJ/mol
-# deltafH -353.011 kcal/mol
- -analytic -3.9978 -3.7985e-3 5.1554e3 -1.5033 -1.6100e5
-# Range 0-300
- -Vm 44.52 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref WEP+82
-
-CoCl2
- CoCl2 = Co+2 + 2 Cl-
- log_k 8.2641
- -delta_H -79.5949 kJ/mol
-# deltafH -312.722 kJ/mol
- -analytic -2.2386e2 -8.0936e-2 8.8631e3 9.1528e1 1.3837e2
-# Range 0-300
- -Vm 38.69 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref WEP+82
-
-CoCl2:2H2O
- CoCl2:2H2O = Co+2 + 2 Cl- + 2 H2O
- log_k 4.6661
- -delta_H -40.7876 kJ/mol
-# deltafH -923.206 kJ/mol
- -analytic -5.6411e1 -2.3390e-2 3.0519e3 2.3361e1 5.1845e1
-# Range 0-200
- -Vm 66.61 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref WEP+82
-
-CoCl2:6H2O
- CoCl2:6H2O = Co+2 + 2 Cl- + 6 H2O
- log_k 2.6033
- -delta_H 8.32709 kJ/mol
-# deltafH -2115.67 kJ/mol
- -analytic -1.5066e2 -2.2132e-2 5.0591e3 5.7743e1 8.5962e1
-# Range 0-200
- -Vm 123.66 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref WEP+82
-
-CoFe2O4
- CoFe2O4 + 8 H+ = Co+2 + 2 Fe+3 + 4 H2O
- log_k 0.8729
- -delta_H -160.674 kJ/mol
-# deltafH -272.466 kcal/mol
- -analytic -3.0149e2 -7.9159e-2 1.5683e4 1.1046e2 2.4480e2
-# Range 0-300
- -Vm 44 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 74nau/ryz
-
-CoO
- CoO + 2 H+ = Co+2 + H2O
- log_k 13.5553
- -delta_H -106.05 kJ/mol
-# deltafH -237.946 kJ/mol
- -analytic -8.4424e1 -1.9457e-2 7.8616e3 3.1281e1 1.2270e2
-# Range 0-300
- -Vm 11.64 # gfw/density
-# Extrapol Cp integration
-# Ref WEP+82
-
-CoS
- CoS + H+ = Co+2 + HS-
- log_k -7.3740
- -delta_H 10.1755 kJ/mol
-# deltafH -20.182 kcal/mol
- -analytic -1.5128e2 -4.8484e-2 2.9553e3 5.9983e1 4.6158e1
-# Range 0-300
- -Vm 22.91 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 74nau/ryz
-
-CoSO4
- CoSO4 = Co+2 + SO4-2
- log_k 2.8996
- -delta_H -79.7952 kJ/mol
-# deltafH -887.964 kJ/mol
- -analytic -1.9907e2 -7.7890e-2 7.7193e3 8.0525e1 1.2051e2
-# Range 0-300
- -Vm 41.78 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref WEP+82
-
-CoSO4:6H2O
- CoSO4:6H2O = Co+2 + SO4-2 + 6 H2O
- log_k -2.3512
- -delta_H 1.08483 kJ/mol
-# deltafH -2683.87 kJ/mol
- -analytic -2.5469e2 -7.3092e-2 6.6767e3 1.0172e2 1.0426e2
-# Range 0-300
- -Vm 130.30 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref WEP+82
-
-CoSO4:H2O
- CoSO4:H2O = Co+2 + H2O + SO4-2
- log_k -1.2111
- -delta_H -52.6556 kJ/mol
-# deltafH -287.032 kcal/mol
- -analytic -1.0570e1 -1.6196e-2 1.7180e3 3.4000 2.9178e1
-# Range 0-200
- -Vm 56.26 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 74nau/ryz
-
-Coesite
- SiO2 = SiO2
- log_k -3.1893
- -delta_H 28.6144 kJ/mol
-# deltafH -216.614 kcal/mol
- -analytic -9.7312 9.1773e-3 4.2143e3 -7.8065e-1 -7.4905e5
-# Range 0-350
- -Vm 20.641
-# Extrapol supcrt92
-# Ref HDN+78
-
-Coffinite
- USiO4 + 4 H+ = SiO2 + U+4 + 2 H2O
- log_k -8.0530
- -delta_H -49.2493 kJ/mol
-# deltafH -1991.33 kJ/mol
- -analytic 2.3126e2 6.2389e-2 -4.6189e3 -9.7976e1 -7.8517e1
-# Range 0-200
- -Vm 46.12 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H Approx
-# Ref 92gre/fug
-
-Cordierite_anhyd
- Mg2Al4Si5O18 + 16 H+ = 2 Mg+2 + 4 Al+3 + 5 SiO2 + 8 H2O
- log_k 52.3035
- -delta_H -626.219 kJ/mol
-# deltafH -2183.2 kcal/mol
- -analytic 2.6562 -2.3801e-2 3.5192e4 -1.9911e1 -1.0894e6
-# Range 0-350
- -Vm 233.22
-# Extrapol supcrt92
-# Ref HDN+78 differ by 3 log K at 0C, 0.8 log K at 350C
-
-Cordierite_hydr
- Mg2Al4Si5O18:H2O + 16 H+ = 2 Mg+2 + 4 Al+3 + 5 SiO2 + 9 H2O
- log_k 49.8235
- -delta_H -608.814 kJ/mol
-# deltafH -2255.68 kcal/mol
- -analytic -1.2985e2 -4.1335e-2 4.1566e4 2.7892e1 -1.4819e6
-# Range 0-350
- -Vm 241.22
-# Extrapol supcrt92
-# Ref HDN+78 differ by 3.4 log K at 0C, 0.8 log K at 350C
-
-Corundum
- Al2O3 + 6 H+ = 2 Al+3 + 3 H2O
- log_k 18.3121
- -delta_H -258.626 kJ/mol
-# deltafH -400.5 kcal/mol
- -analytic -1.4278e2 -7.8519e-2 1.3776e4 5.5881e1 2.1501e2
-# Range 0-350
- -Vm 25.575
-# Extrapol supcrt92
-# Ref HDN+78, 95pok/hel differ by 1 log K at 0C, 7 log K at 300C !! flag
-
-Covellite
- CuS + H+ = Cu+2 + HS-
- log_k -22.8310
- -delta_H 101.88 kJ/mol
-# deltafH -12.5 kcal/mol
- -analytic -1.6068e2 -4.9040e-2 -1.4234e3 6.3536e1 -2.2164e1
-# Range 0-350
- -Vm 20.42
-# Extrapol supcrt92
-# Ref HDN+78
-
-Cr
- Cr + 3 H+ + 0.75 O2 = Cr+3 + 1.5 H2O
- log_k 98.6784
- -delta_H -658.145 kJ/mol
-# deltafH 0 kJ/mol
- -analytic -2.2488e1 -5.5886e-3 3.4288e4 3.1585 5.3503e2
-# Range 0-300
- -Vm 7.231 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref RHF79
-
-CrCl3
- CrCl3 = Cr+3 + 3 Cl-
- log_k 17.9728
- -delta_H -183.227 kJ/mol
-# deltafH -556.5 kJ/mol
- -analytic -2.6348e2 -9.5339e-2 1.4785e4 1.0517e2 2.3079e2
-# Range 0-300
- -Vm 57.38 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref WEP+82
-
-CrO2
- CrO2 = 0.5 Cr+2 + 0.5 CrO4-2
- log_k -19.1332
- -delta_H 85.9812 kJ/mol
-# deltafH -143 kcal/mol
- -analytic 2.7763 -7.7698e-3 -5.2893e3 -7.4970e-1 -8.9821e1
-# Range 0-200
- -Vm 16.95 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref 76del/hal
-
-CrO3
- CrO3 + H2O = CrO4-2 + 2 H+
- log_k -3.5221
- -delta_H -5.78647 kJ/mol
-# deltafH -140.9 kcal/mol
- -analytic -1.3262e2 -6.1411e-2 2.2083e3 5.6564e1 3.4497e1
-# Range 0-300
- -Vm 35.14 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 76del/hal
-
-CrS
- CrS + H+ = Cr+2 + HS-
- log_k -0.6304
- -delta_H -26.15 kJ/mol
-# deltafH -31.9 kcal/mol
- -analytic -1.1134e2 -3.5954e-2 3.8744e3 4.3815e1 6.0490e1
-# Range 0-300
- -Vm 17.33 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 76del/hal
-
-Cristobalite(alpha)
- SiO2 = SiO2
- log_k -3.4488
- -delta_H 29.2043 kJ/mol
-# deltafH -216.755 kcal/mol
- -analytic -1.1936e1 9.0520e-3 4.3701e3 -1.1464e-1 -7.6568e5
-# Range 0-350
- -Vm 25.74
-# Extrapol supcrt92
-# Ref HDN+78
-
-Cristobalite(beta)
- SiO2 = SiO2
- log_k -3.0053
- -delta_H 24.6856 kJ/mol
-# deltafH -215.675 kcal/mol
- -analytic -4.7414 9.7567e-3 3.8831e3 -2.5830 -6.9636e5
-# Range 0-350
- -Vm 27.38
-# Extrapol supcrt92
-# Ref HDN+78
-
-Cronstedtite-7A
- Fe2Fe2SiO5(OH)4 + 10 H+ = SiO2 + 2 Fe+2 + 2 Fe+3 + 7 H2O
- log_k 16.2603
- -delta_H -244.266 kJ/mol
-# deltafH -697.413 kcal/mol
- -analytic -2.3783e2 -7.1026e-2 1.7752e4 8.7147e1 2.7707e2
-# Range 0-300
- -Vm 110.9 # HDN+78
-# Extrapol Cp integration
-# Ref 78wol
-
-Cu
- Cu + 2 H+ + 0.5 O2 = Cu+2 + H2O
- log_k 31.5118
- -delta_H -214.083 kJ/mol
-# deltafH 0 kcal/mol
- -analytic -7.0719e1 -2.0300e-2 1.2802e4 2.6401e1 1.9979e2
-# Range 0-300
- -Vm 7.113
-# Extrapol supcrt92
-# Ref HDN+78
-
-
-CuCl2
- CuCl2 = Cu+2 + 2 Cl-
- log_k 3.7308
- -delta_H -48.5965 kJ/mol
-# deltafH -219.874 kJ/mol
- -analytic -1.7803e1 -2.4432e-2 1.5729e3 9.5104 2.6716e1
-# Range 0-200
- -Vm 39.71 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref WEP+82
-
-CuCr2O4
- CuCr2O4 + 8 H+ = Cu+2 + 2 Cr+3 + 4 H2O
- log_k 16.2174
- -delta_H -268.768 kJ/mol
-# deltafH -307.331 kcal/mol
- -analytic -1.8199e2 -1.0254e-2 2.0123e4 5.4062e1 3.4178e2
-# Range 0-200
- -Vm 42.74 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref 76del/hal
-
-Cuprite
- Cu2O + 2 H+ = H2O + 2 Cu+
- log_k -1.9031
- -delta_H 28.355 kJ/mol
-# deltafH -40.83 kcal/mol
- -analytic -8.6240e1 -1.1445e-2 1.7851e3 3.3041e1 2.7880e1
-# Range 0-350
- -Vm 23.437
-# Extrapol supcrt92
-# Ref HDN+78
-
-Daphnite-14A
- Fe5AlAlSi3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Fe+2 + 12 H2O
- log_k 52.2821
- -delta_H -517.561 kJ/mol
-# deltafH -1693.04 kcal/mol
- -analytic -1.5261e2 -6.1392e-2 2.8283e4 5.1788e1 4.4137e2
-# Range 0-350
- -Vm 213.42
-# Extrapol supcrt92
-# Ref HDN+78
-
-Daphnite-7A
- Fe5AlAlSi3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Fe+2 + 12 H2O
- log_k 55.6554
- -delta_H -532.326 kJ/mol
-# deltafH -1689.51 kcal/mol
- -analytic -1.6430e2 -6.3160e-2 2.9499e4 5.6442e1 4.6035e2
-# Range 0-300
- -Vm 221.2
-# Extrapol supcrt92
-# Ref HDN+78
-
-Dawsonite
- NaAlCO3(OH)2 + 3 H+ = Al+3 + HCO3- + Na+ + 2 H2O
- log_k 4.3464
- -delta_H -76.3549 kJ/mol
-# deltafH -1963.96 kJ/mol
- -analytic -1.1393e2 -2.3487e-2 7.1758e3 4.0900e1 1.2189e2
-# Range 0-200
- -Vm 59.50 # Webmineral.com
-# Extrapol Constant H approx
-# Ref RHF79
-
-Delafossite
- CuFeO2 + 4 H+ = Cu+ + Fe+3 + 2 H2O
- log_k -6.4172
- -delta_H -18.6104 kJ/mol
-# deltafH -126.904 kcal/mol
- -analytic -1.5275e2 -3.5478e-2 5.1404e3 5.6437e1 8.0255e1
-# Range 0-300
- -Vm 27.52 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 74nau/ryz
-
-Diaspore
- AlHO2 + 3 H+ = Al+3 + 2 H2O
- log_k 7.1603
- -delta_H -110.42 kJ/mol
-# deltafH -238.924 kcal/mol
- -analytic -1.2618e2 -3.1671e-2 8.8737e3 4.5669e1 1.3850e2
-# Range 0-225
- -Vm 17.76
-# Extrapol supcrt92
-# Ref HDN+78, 95pok/hel
-
-Dicalcium_silicate
- Ca2SiO4 + 4 H+ = SiO2 + 2 Ca+2 + 2 H2O
- log_k 37.1725
- -delta_H -217.642 kJ/mol
-# deltafH -2317.9 kJ/mol
- -analytic -5.9723e1 -1.3682e-2 1.5461e4 2.1547e1 -3.7732e5
-# Range 0-300
- -Vm 59.11 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref WEP+82
-
-Diopside
- CaMgSi2O6 + 4 H+ = Ca+2 + Mg+2 + 2 H2O + 2 SiO2
- log_k 20.9643
- -delta_H -133.775 kJ/mol
-# deltafH -765.378 kcal/mol
- -analytic 7.1240e1 1.5514e-2 8.1437e3 -3.0672e1 -5.6880e5
-# Range 0-350
- -Vm 66.09
-# Extrapol supcrt92
-# Ref HDN+78
-
-Dioptase
- CuSiO2(OH)2 + 2 H+ = Cu+2 + SiO2 + 2 H2O
- log_k 6.0773
- -delta_H -25.2205 kJ/mol
-# deltafH -1358.47 kJ/mol
- -analytic 2.3913e2 6.2669e-2 -5.4030e3 -9.4420e1 -9.1834e1
-# Range 0-200
- -Vm 48.24 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref 87woo/gar
-
-Dolomite
- CaMg(CO3)2 + 2 H+ = Ca+2 + Mg+2 + 2 HCO3-
- log_k 2.5135
- -delta_H -59.9651 kJ/mol
-# deltafH -556.631 kcal/mol
- -analytic -3.1782e2 -9.8179e-2 1.0845e4 1.2657e2 1.6932e2
-# Range 0-350
- -Vm 64.365
-# Extrapol supcrt92
-# Ref HDN+78
-
-Dolomite-dis
- CaMg(CO3)2 + 2 H+ = Ca+2 + Mg+2 + 2 HCO3-
- log_k 4.0579
- -delta_H -72.2117 kJ/mol
-# deltafH -553.704 kcal/mol
- -analytic -3.1706e2 -9.7886e-2 1.1442e4 1.2604e2 1.7864e2
-# Range 0-350
- -Vm 64.39
-# Extrapol supcrt92
-# Ref HDN+78
-
-Dolomite-ord
- CaMg(CO3)2 + 2 H+ = Ca+2 + Mg+2 + 2 HCO3-
- log_k 2.5135
- -delta_H -59.9651 kJ/mol
-# deltafH -556.631 kcal/mol
- -analytic -3.1654e2 -9.7902e-2 1.0805e4 1.2607e2 1.6870e2
-# Range 0-350
- -Vm 64.34
-# Extrapol supcrt92
-# Ref HDN+78
-
-Enstatite
- MgSiO3 + 2 H+ = H2O + Mg+2 + SiO2
- log_k 11.3269
- -delta_H -82.7302 kJ/mol
-# deltafH -369.686 kcal/mol
- -analytic -4.9278e1 -3.2832e-3 9.5205e3 1.4437e1 -5.4324e5
-# Range 0-350
- -Vm 31.276
-# Extrapol supcrt92
-# Ref HDN+78
-
-Epidote
- Ca2FeAl2Si3O12OH + 13 H+ = Fe+3 + 2 Al+3 + 2 Ca+2 + 3 SiO2 + 7 H2O
- log_k 32.9296
- -delta_H -386.451 kJ/mol
-# deltafH -1543.99 kcal/mol
- -analytic -2.6187e1 -3.6436e-2 1.9351e4 3.3671 -3.0319e5
-# Range 0-350
- -Vm 139.2
-# Extrapol supcrt92
-# Ref HDN+78
-
-Epidote-ord
- FeCa2Al2(OH)(SiO4)3 + 13 H+ = Fe+3 + 2 Al+3 + 2 Ca+2 + 3 SiO2 + 7 H2O
- log_k 32.9296
- -delta_H -386.351 kJ/mol
-# deltafH -1544.02 kcal/mol
- -analytic 1.9379e1 -3.2870e-2 1.5692e4 -1.1901e1 2.4485e2
-# Range 0-350
- -Vm 139.2
-# Extrapol supcrt92
-# Ref HDN+78
-
-Eskolaite
- Cr2O3 + 2 H2O + 1.5 O2 = 2 CrO4-2 + 4 H+
- log_k -9.1306
- -delta_H -32.6877 kJ/mol
-# deltafH -1139.74 kJ/mol
- -analytic -2.0411e2 -1.2809e-1 2.2197e3 9.1186e1 3.4697e1
-# Range 0-300
- -Vm 29.09 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref WEP+82
-
-Ettringite
- Ca6Al2(SO4)3(OH)12:26H2O + 12 H+ = 2 Al+3 + 3 SO4-2 + 6 Ca+2 + 38 H2O
- log_k 62.5362
- -delta_H -382.451 kJ/mol
-# deltafH -4193 kcal/mol
- -analytic -1.0576e3 -1.1585e-1 5.9580e4 3.8585e2 1.0121e3
-# Range 0-200
- -Vm 697.28 # Webmineral.com
-# Extrapol Constant H approx
-# Ref 82sar/bar
-
-Eu
- Eu + 3 H+ + 0.75 O2 = Eu+3 + 1.5 H2O
- log_k 165.1443
- -delta_H -1025.08 kJ/mol
-# deltafH 0 kJ/mol
- -analytic -6.5749e1 -2.8921e-2 5.4018e4 2.3561e1 8.4292e2
-# Range 0-300
- -Vm 28.97 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 85rar 2
-
-Eu(OH)3
- Eu(OH)3 + 3 H+ = Eu+3 + 3 H2O
- log_k 15.3482
- -delta_H -126.897 kJ/mol
-# deltafH -1336.04 kJ/mol
- -analytic -6.3077e1 -6.1421e-3 8.7323e3 2.0595e1 1.4831e+2
-# Range 0-200
- -Vm 38.44 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref 87rar 2
-
-Eu2(SO4)3:8H2O
- Eu2(SO4)3:8H2O = 2 Eu+3 + 3 SO4-2 + 8 H2O
- log_k -10.8524
- -delta_H -86.59 kJ/mol
-# deltafH -6139.77 kJ/mol
- -analytic -5.6582e1 -3.8846e-2 3.3821e3 1.8561e1 5.7452e1
-# Range 0-200
- -Vm 245.41 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref 85rar 2
-
-Eu2O3(cubic)
- Eu2O3 + 6 H+ = 2 Eu+3 + 3 H2O
- log_k 51.7818
- -delta_H -406.403 kJ/mol
-# deltafH -1661.96 kJ/mol
- -analytic -5.3469e1 -1.2554e-2 2.1925e4 1.4324e1 3.7233e2
-# Range 0-200
- -Vm 48.29 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref 85rar 2
-
-Eu2O3(monoclinic)
- Eu2O3 + 6 H+ = 2 Eu+3 + 3 H2O
- log_k 53.3936
- -delta_H -417.481 kJ/mol
-# deltafH -1650.88 kJ/mol
- -analytic -5.4022e1 -1.2627e-2 2.2508e4 1.4416e1 3.8224e2
-# Range 0-200
- -Vm 44.02 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref 85rar 2
-
-Eu3O4
- Eu3O4 + 8 H+ = Eu+2 + 2 Eu+3 + 4 H2O
- log_k 87.0369
- -delta_H -611.249 kJ/mol
-# deltafH -2270.56 kJ/mol
- -analytic -1.1829e2 -2.0354e-2 3.4981e4 3.8007e1 5.9407e2
-# Range 0-200
- -Vm 64.15 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref 85rar 2
-
-EuCl2
- EuCl2 = Eu+2 + 2 Cl-
- log_k 5.9230
- -delta_H -39.2617 kJ/mol
-# deltafH -822.5 kJ/mol
- -analytic -2.5741e1 -2.4956e-2 1.5713e3 1.3670e1 2.6691e1
-# Range 0-200
- -Vm 45.49 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref 87rar 2
-
-EuCl3
- EuCl3 = Eu+3 + 3 Cl-
- log_k 19.7149
- -delta_H -170.861 kJ/mol
-# deltafH -935.803 kJ/mol
- -analytic 3.2865e1 -3.1877e-2 4.9792e3 -8.2294 8.4542e1
-# Range 0-200
- -Vm 52.83 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref 85rar 2
-
-EuCl3:6H2O
- EuCl3:6H2O = Eu+3 + 3 Cl- + 6 H2O
- log_k 4.9090
- -delta_H -40.0288 kJ/mol
-# deltafH -2781.66 kJ/mol
- -analytic -1.0987e2 -2.9851e-2 4.9991e3 4.3198e1 8.4930e1
-# Range 0-200
- -Vm 151.22 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref 85rar 2
-
-EuOCl
- EuOCl + 2 H+ = Cl- + Eu+3 + H2O
- log_k 15.6683
- -delta_H -147.173 kJ/mol
-# deltafH -911.17 kJ/mol
- -analytic -7.7446 -1.4960e-2 6.6242e3 2.2813 1.1249e2
-# Range 0-200
- -Vm 31.68 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref 87rar 2
-
-EuS
- EuS + H+ = Eu+2 + HS-
- log_k 14.9068
- -delta_H -96.4088 kJ/mol
-# deltafH -447.302 kJ/mol
- -analytic -4.1026e1 -1.5582e-2 5.7842e3 1.6639e1 9.8238e1
-# Range 0-200
- -Vm 32.03 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref 85rar 2
-
-EuSO4
- EuSO4 = Eu+2 + SO4-2
- log_k -8.8449
- -delta_H 33.873 kJ/mol
-# deltafH -1471.08 kJ/mol
- -analytic 3.0262e-1 -1.7571e-2 -3.0392e3 2.5356 -5.1610e1
-# Range 0-200
- -Vm 49.71 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref 85rar 2
-
-Eucryptite
- LiAlSiO4 + 4 H+ = Al+3 + Li+ + SiO2 + 2 H2O
- log_k 13.6106
- -delta_H -141.818 kJ/mol
-# deltafH -2124.41 kJ/mol
- -analytic -2.2213 -8.2498e-3 6.4838e3 -1.4183 1.0117e2
-# Range 0-300
- -Vm 53.63 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref WEP+82
-
-Fayalite
- Fe2SiO4 + 4 H+ = SiO2 + 2 Fe+2 + 2 H2O
- log_k 19.1113
- -delta_H -152.256 kJ/mol
-# deltafH -354.119 kcal/mol
- -analytic 1.3853e1 -3.5501e-3 7.1496e3 -6.8710e0 -6.3310e4
-# Range 0-350
- -Vm 46.39
-# Extrapol supcrt92
-# Ref HDN+78
-
-Fe
- Fe + 2 H+ + 0.5 O2 = Fe+2 + H2O
- log_k 59.0325
- -delta_H -372.029 kJ/mol
-# deltafH 0 kcal/mol
- -analytic -6.2882e1 -2.0379e-2 2.0690e4 2.3673e1 3.2287e2
-# Range 0-350
- -Vm 7.092 # thermo.com.V8.R6+.tdat
-# Extrapol supcrt92
-# Ref RHF79
-
-Fe(OH)2
- Fe(OH)2 + 2 H+ = Fe+2 + 2 H2O
- log_k 13.9045
- -delta_H -95.4089 kJ/mol
-# deltafH -568.525 kJ/mol
- -analytic -8.6666e1 -1.8440e-2 7.5723e3 3.2597e1 1.1818e2
-# Range 0-300
- -Vm 26.43 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref WEP+82
-
-Fe(OH)3
- Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O
- log_k 5.6556
- -delta_H -84.0824 kJ/mol
-# deltafH -823.013 kJ/mol
- -analytic -1.3316e2 -3.1284e-2 7.9753e3 4.9052e1 1.2449e2
-# Range 0-300
- -Vm 34.36 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref WEP+82
-
-Fe2(SO4)3
- Fe2(SO4)3 = 2 Fe+3 + 3 SO4-2
- log_k 3.2058
- -delta_H -250.806 kJ/mol
-# deltafH -2577.16 kJ/mol
- -analytic -5.8649e2 -2.3718e-1 2.2736e4 2.3601e2 3.5495e2
-# Range 0-300
- -Vm 130.77 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref RHF79
-
-FeO
- FeO + 2 H+ = Fe+2 + H2O
- log_k 13.5318
- -delta_H -106.052 kJ/mol
-# deltafH -65.02 kcal/mol
- -analytic -7.8750e1 -1.8268e-2 7.6852e3 2.9074e1 1.1994e2
-# Range 0-350
- -Vm 12
-# Extrapol supcrt92
-# Ref HDN+78
-
-FeSO4
- FeSO4 = Fe+2 + SO4-2
- log_k 2.6565
- -delta_H -73.0878 kJ/mol
-# deltafH -928.771 kJ/mol
- -analytic -2.0794e2 -7.6891e-2 7.8705e3 8.3685e1 1.2287e2
-# Range 0-300
- -Vm 41.58 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref WEP+82
-
-Ferrite-Ca
- CaFe2O4 + 8 H+ = Ca+2 + 2 Fe+3 + 4 H2O
- log_k 21.5217
- -delta_H -264.738 kJ/mol
-# deltafH -363.494 kcal/mol
- -analytic -2.8472e2 -7.5870e-2 2.0688e4 1.0485e2 3.2289e2
-# Range 0-300
- -Vm 44.98 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 82sar/bar
-
-Ferrite-Cu
- CuFe2O4 + 8 H+ = Cu+2 + 2 Fe+3 + 4 H2O
- log_k 10.3160
- -delta_H -211.647 kJ/mol
-# deltafH -965.178 kJ/mol
- -analytic -3.1271e2 -7.9976e-2 1.8818e4 1.1466e2 2.9374e2
-# Range 0-300
- -Vm 44.53 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref WEP+82
-
-Ferrite-Dicalcium
- Ca2Fe2O5 + 10 H+ = 2 Ca+2 + 2 Fe+3 + 5 H2O
- log_k 56.8331
- -delta_H -475.261 kJ/mol
-# deltafH -2139.26 kJ/mol
- -analytic -3.6277e2 -9.5015e-2 3.3898e4 1.3506e2 5.2906e2
-# Range 0-300
- -Vm 67.18 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref RHF79
-
-Ferrite-Mg
- MgFe2O4 + 8 H+ = Mg+2 + 2 Fe+3 + 4 H2O
- log_k 21.0551
- -delta_H -280.056 kJ/mol
-# deltafH -1428.42 kJ/mol
- -analytic -2.8297e2 -7.4820e-2 2.1333e4 1.0295e2 3.3296e2
-# Range 0-300
- -Vm 44.57 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref RHF79
-
-Ferrite-Zn
- ZnFe2O4 + 8 H+ = Zn+2 + 2 Fe+3 + 4 H2O
- log_k 11.7342
- -delta_H -226.609 kJ/mol
-# deltafH -1169.29 kJ/mol
- -analytic -2.9809e2 -7.7263e-2 1.9067e4 1.0866e2 2.9761e2
-# Range 0-300
- -Vm 45.23 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref WEP+82
-
-Ferrosilite
- FeSiO3 + 2 H+ = Fe+2 + H2O + SiO2
- log_k 7.4471
- -delta_H -60.6011 kJ/mol
-# deltafH -285.658 kcal/mol
- -analytic 9.0041 3.7917e-3 5.1625e3 -6.3009 -3.9565e5
-# Range 0-350
- -Vm 32.952
-# Extrapol supcrt92
-# Ref HDN+78
-
-Forsterite
- Mg2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Mg+2
- log_k 27.8626
- -delta_H -205.614 kJ/mol
-# deltafH -520 kcal/mol
- -analytic -7.6195e1 -1.4013e-2 1.4763e4 2.5090e1 -3.0379e5
-# Range 0-350
- -Vm 43.79
-# Extrapol supcrt92
-# Ref HDN+78
-
-Foshagite
- Ca4Si3O9(OH)2:0.5H2O + 8 H+ = 3 SiO2 + 4 Ca+2 + 5.5 H2O
- log_k 65.9210
- -delta_H -359.839 kJ/mol
-# deltafH -1438.27 kcal/mol
- -analytic 2.9983e1 5.5272e-3 2.3427e4 -1.3879e1 -8.9461e5
-# Range 0-300
- -Vm 154.23 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 82sar/bar
-
-
-Gd
- Gd + 3 H+ + 0.75 O2 = Gd+3 + 1.5 H2O
- log_k 180.7573
- -delta_H -1106.67 kJ/mol
-# deltafH 0 kJ/mol
- -analytic -3.3949e2 -6.5698e-2 7.4278e4 1.2189e2 -9.7055e5
-# Range 0-300
- -Vm 19.89 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref RHF79
-
-Gehlenite
- Ca2Al2SiO7 + 10 H+ = SiO2 + 2 Al+3 + 2 Ca+2 + 5 H2O
- log_k 56.2997
- -delta_H -489.934 kJ/mol
-# deltafH -951.225 kcal/mol
- -analytic -2.1784e2 -6.7200e-2 2.9779e4 7.8488e1 4.6473e2
-# Range 0-350
- -Vm 90.24
-# Extrapol supcrt92
-# Ref HDN+78
-
-Gibbsite
- Al(OH)3 + 3 H+ = Al+3 + 3 H2O
- log_k 7.7560
- -delta_H -102.788 kJ/mol
-# deltafH -309.065 kcal/mol
- -analytic -1.1403e2 -3.6453e-2 7.7236e3 4.3134e1 1.2055e2
-# Range 0-150
- -Vm 31.956
-# Extrapol supcrt92
-# Ref HDN+78, 95pok/hel
-
-Goethite
- FeOOH + 3 H+ = Fe+3 + 2 H2O
- log_k 0.5345
- -delta_H -61.9291 kJ/mol
-# deltafH -559.328 kJ/mol
- -analytic -6.0331e1 -1.0847e-2 4.7759e3 1.9429e1 8.1122e1
-# Range 0-200
- -Vm 20.82
-# Extrapol supcrt92, Constant H approx
-# Ref Sho09, MLS+03, RHF79 match
-
-Greenalite
- Fe3Si2O5(OH)4 + 6 H+ = 2 SiO2 + 3 Fe+2 + 5 H2O
- log_k 22.6701
- -delta_H -165.297 kJ/mol
-# deltafH -787.778 kcal/mol
- -analytic -1.4187e1 -3.8377e-3 1.1710e4 1.6442 -4.8290e5
-# Range 0-350
- -Vm 115
-# Extrapol supcrt92
-# Ref HDN+78, 78wol, Wilson+06 match
-
-Grossular
- Ca3Al2(SiO4)3 + 12 H+ = 2 Al+3 + 3 Ca+2 + 3 SiO2 + 6 H2O
- log_k 51.9228
- -delta_H -432.006 kJ/mol
-# deltafH -1582.74 kcal/mol
- -analytic 2.9389e1 -2.2478e-2 2.0323e4 -1.4624e1 -2.5674e5
-# Range 0-350
- -Vm 125.3
-# Extrapol supcrt92
-# Ref HDN+78
-
-Gypsum
- CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O
- log_k -4.4823
- -delta_H -1.66746 kJ/mol
-# deltafH -2022.69 kJ/mol
- -analytic -2.4417e2 -8.3329e-2 5.5958e3 9.9301e1 8.7389e1
-# Range 0-300
- -Vm 74.69 # Marion+05
-# Extrapol Cp integration
-# Ref RHF79
-
-Gyrolite
- Ca2Si3O7(OH)2:1.5H2O + 4 H+ = 2 Ca+2 + 3 SiO2 + 4.5 H2O
- log_k 22.9099
- -delta_H -82.862 kJ/mol
-# deltafH -1176.55 kcal/mol
- -analytic -2.4416e1 1.4646e-2 1.6181e4 2.3723 -1.5369e6
-# -Range 0-300
- -Vm 136.85 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 82sar/bar
-
-Halite
- NaCl = Cl- + Na+
- log_k 1.5855
- -delta_H 3.7405 kJ/mol
-# deltafH -98.26 kcal/mol
- -analytic -1.0163e2 -3.4761e-2 2.2796e3 4.2802e1 3.5602e1
-# Range 0-350
- -Vm 27.015
-# Extrapol supcrt92
-# Ref HDN+78
-
-Hatrurite
- Ca3SiO5 + 6 H+ = SiO2 + 3 Ca+2 + 3 H2O
- log_k 73.4056
- -delta_H -434.684 kJ/mol
-# deltafH -700.234 kcal/mol
- -analytic -4.5448e1 -1.9998e-2 2.3800e4 1.8494e1 -7.3385e4
-# Range 0-300
- -Vm 75.60 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 82sar/bar
-
-Hausmannite
- Mn3O4 + 8 H+ = Mn+2 + 2 Mn+3 + 4 H2O
- log_k 10.1598
- -delta_H -268.121 kJ/mol
-# deltafH -1387.83 kJ/mol
- -analytic -2.0600e2 -2.2214e-2 2.0160e4 6.2700e1 3.1464e2
-# Range 0-300
- -Vm 48.07 # Webmineral.com
-# Extrapol Cp integration
-# Ref RHF79
-
-Heazlewoodite
- Ni3S2 + 4 H+ + 0.5 O2 = H2O + 2 HS- + 3 Ni+2
- log_k 28.2477
- -delta_H -270.897 kJ/mol
-# deltafH -203.012 kJ/mol
- -analytic -3.5439e2 -1.1740e-1 2.1811e4 1.3919e2 3.4044e2
-# Range 0-300
- -Vm 40.95 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref WEP+82
-
-Hedenbergite
- CaFe(SiO3)2 + 4 H+ = Ca+2 + Fe+2 + 2 H2O + 2 SiO2
- log_k 19.6060
- -delta_H -124.507 kJ/mol
-# deltafH -678.276 kcal/mol
- -analytic -1.9473e1 1.5288e-3 1.2910e4 2.1729 -9.0058e5
-# Range 0-350
- -Vm 68.27
-# Extrapol supcrt92
-# Ref HDN+78
-
-Hematite
- Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O
- log_k 0.1086
- -delta_H -129.415 kJ/mol
-# deltafH -197.72 kcal/mol
- -analytic -2.2015e2 -6.0290e-2 1.1812e4 8.0253e1 1.8438e2
-# Range 0-350
- -Vm 30.274
-# Extrapol supcrt92
-# Ref HDN+78
-
-Hercynite
- FeAl2O4 + 8 H+ = Fe+2 + 2 Al+3 + 4 H2O
- log_k 28.8484
- -delta_H -345.961 kJ/mol
-# deltafH -1966.45 kJ/mol
- -analytic -3.1848e2 -7.9501e-2 2.5892e4 1.1483e2 4.0412e2
-# Range 0-300
- -Vm 40.75 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref RHF79
-
-Hillebrandite
- Ca2SiO3(OH)2:0.17H2O + 4 H+ = SiO2 + 2 Ca+2 + 3.17 H2O
- log_k 36.8190
- -delta_H -203.074 kJ/mol
-# deltafH -637.404 kcal/mol
- -analytic -1.9360e1 -7.5176e-3 1.1947e4 8.0558 -1.4504e5
-# Range 0-300
- -Vm 71.79 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 82sar/bar
-
-Huntite
- CaMg3(CO3)4 + 4 H+ = Ca+2 + 3 Mg+2 + 4 HCO3-
- log_k 10.3010
- -delta_H -171.096 kJ/mol
-# deltafH -1082.6 kcal/mol
- -analytic -6.5e2 -1.9671e-1 2.4815e4 2.5688e2 3.8740e2
-# Range 0-350
- -Vm 122.9
-# Extrapol supcrt92
-# Ref HDN+78
-
-Hydromagnesite
- Mg5(CO3)4(OH)2:4H2O + 6 H+ = 4 HCO3- + 5 Mg+2 + 6 H2O
- log_k 30.8539
- -delta_H -289.696 kJ/mol
-# deltafH -1557.09 kcal/mol
- -analytic -7.9288e2 -2.1448e-1 3.6749e4 3.0888e2 5.7367e2
-# Range 0-350
- -Vm 208.8
-# Extrapol supcrt92
-# Ref HDN+78
-
-Hydrophilite
- CaCl2 = Ca+2 + 2 Cl-
- log_k 11.7916
- -delta_H -81.4545 kJ/mol
-# deltafH -795.788 kJ/mol
- -analytic -2.2278e2 -8.1414e-2 9.0298e3 9.2349e1 1.4097e2
-# Range 0-300
- -Vm 49.99 # Webmineral.com
-# Extrapol Cp integration
-# Ref RHF79
-
-Hydroxyapatite
- Ca5(OH)(PO4)3 + 4 H+ = H2O + 3 HPO4-2 + 5 Ca+2
- log_k -3.0746
- -delta_H -191.982 kJ/mol
-# deltafH -6685.52 kJ/mol
- -analytic -8.5221e2 -2.9430e-1 2.8125e4 3.4044e2 4.3911e2
-# Range 0-300
- -Vm 128.9
-# Extrapol Cp integration
-# Ref RHF79
-
-Ice
- H2O = H2O
- log_k 0.1387
- -delta_H 6.74879 kJ/mol
-# deltafH -69.93 kcal/mol
- -analytic -2.3260e1 4.7948e-4 7.7351e2 8.3499 1.3143e1
-# Range 0-200
- -Vm 19.635 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref 87kee/rup
-
-Ilmenite
- FeTiO3 + 2 H+ + H2O = Fe+2 + Ti(OH)4
- log_k 0.9046
-# deltafH -1236.65 kJ/mol
- -Vm 32.15 # Webmineral.com
-# Ref RHF79
-
-Jadeite
- NaAl(SiO3)2 + 4 H+ = Al+3 + Na+ + 2 H2O + 2 SiO2
- log_k 8.3888
- -delta_H -84.4415 kJ/mol
-# deltafH -722.116 kcal/mol
- -analytic 1.5934 5.0757e-3 9.5602e3 -7.0164 -8.4454e5
-# Range 0-350
- -Vm 60.4
-# Extrapol supcrt92
-# Ref HDN+78
-
-Jarosite
- KFe3(SO4)2(OH)6 + 6 H+ = K+ + 2 SO4-2 + 3 Fe+3 + 6 H2O
- log_k -9.3706
- -delta_H -191.343 kJ/mol
-# deltafH -894.79 kcal/mol
- -analytic -1.0813e2 -5.0381e-2 9.6893e3 3.2832e1 1.6457e2
-# Range 0-200
- -Vm 162.07 # Webmineral.com
-# Extrapol Constant H approx
-# Ref 75kas/bor
-
-K
- K + H+ + 0.25 O2 = 0.5 H2O + K+
- log_k 70.9861
- -delta_H -392.055 kJ/mol
-# deltafH 0 kJ/mol
- -analytic -3.1102e1 -1.0003e-2 2.1338e4 1.3534e1 3.3296e2
-# Range 0-300
- -Vm 45.94 # Webelements.com
-# Extrapol Cp integration
-# Ref CWM89
-
-K-Feldspar
- KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2
- log_k -0.2753
- -delta_H -23.9408 kJ/mol
-# deltafH -949.188 kcal/mol
- -analytic -1.0684 1.3111e-2 1.1671e4 -9.9129 -1.5855e6
-# Range 0-350
- -Vm 108.87
-# Extrapol supcrt92
-# Ref HDN+78
-
-K2O
- K2O + 2 H+ = H2O + 2 K+
- log_k 84.0405
- -delta_H -427.006 kJ/mol
-# deltafH -86.8 kcal/mol
- -analytic -1.8283e1 -5.2255e-3 2.3184e4 1.0553e1 3.6177e2
-# Range 0-350
- -Vm 40.085 # gfw/density
-# Extrapol supcrt92
-# Ref HDN+78
-
-KAl(SO4)2
- KAl(SO4)2 = Al+3 + K+ + 2 SO4-2
- log_k 3.3647
- -delta_H -139.485 kJ/mol
-# deltafH -2470.29 kJ/mol
- -analytic -4.2785e2 -1.6303e-1 1.5311e4 1.7312e2 2.3904e2
-# Range 0-300
- -Vm 146.71 # gfw/density
-# Extrapol Cp integration
-# Ref RHF79
-
-Kalsilite
- KAlSiO4 + 4 H+ = Al+3 + K+ + SiO2 + 2 H2O
- log_k 10.8987
- -delta_H -108.583 kJ/mol
-# deltafH -509.408 kcal/mol
- -analytic -6.7595 -7.4301e-3 6.5380e3 1.8999e-1 -2.2880e5
-# Range 0-350
- -Vm 59.89
-# Extrapol supcrt92
-# Ref HDN+78
-
-Kaolinite
- Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 SiO2 + 5 H2O
- log_k 6.8101
- -delta_H -151.779 kJ/mol
-# deltafH -982.221 kcal/mol
- -analytic 1.6835e1 -7.8939e-3 7.7636e3 -1.2190e1 -3.2354e5
-# Range 0-350
- -Vm 99.52
-# Extrapol supcrt92
-# Ref HDN+78 differ by 1.6 log K at 0C, 0.4 log K at 350C
-
-KerogenC128
- C128H68O7 + 141.5 O2 = 128 CO2 + 34 H2O
- log_k 10740.654
- -delta_H -14623.902 kcal/mol
- -analytic 23405.37 -54.726 0 0 0 0.041
-# Range 0-350
- -Vm 1320.7
-# Extrapol supcrt92
-# Ref RH98, Hel+09
-
-KerogenC292
- C292H288O12 + 358 O2 = 292 CO2 + 144 H2O
- log_k 27153.69
- -delta_H -36994.127 kcal/mol
- -analytic 59184.26 -138.37 0 0 0 0.10
-# Range 0-350
- -Vm 3398.2
-# Extrapol supcrt92
-# Ref RH98, Hel+09
-
-KerogenC515
- C515H596O72 + 628 O2 = 515 CO2 + 298 H2O
- log_k 48112.16
- -delta_H -65346.703 kcal/mol
- -analytic 104660.55 -244.27 0 0 0 0.183
-# Range 0-350
- -Vm 6989.3
-# Extrapol supcrt92
-# Ref RH98, Hel+09
-
-Kyanite
- Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O
- log_k 15.6740
- -delta_H -230.919 kJ/mol
-# deltafH -616.897 kcal/mol
- -analytic -7.3335e1 -3.2853e-2 1.2166e4 2.3412e1 1.8986e2
-# Range 0-175
- -Vm 44.09
-# Extrapol supcrt92
-# Ref HDN+78
-
-Larnite
- Ca2SiO4 + 4 H+ = SiO2 + 2 Ca+2 + 2 H2O
- log_k 38.4665
- -delta_H -227.061 kJ/mol
-# deltafH -551.74 kcal/mol
- -analytic 2.6900e1 -2.1833e-3 1.0900e4 -9.5257 -7.2537e4
-# Range 0-300
- -Vm 51.6 # HDN+78
-# Extrapol Cp integration
-# Ref 82sar/bar
-
-Laumontite
- CaAl2Si4O12:4H2O + 8 H+ = Ca+2 + 2 Al+3 + 4 SiO2 + 8 H2O
- log_k 13.6667
- -delta_H -184.657 kJ/mol
-# deltafH -1728.66 kcal/mol
- -analytic 1.1904 8.1763e-3 1.9005e4 -1.4561e1 -1.5851e6
-# Range 0-350
- -Vm 207.55
-# Extrapol supcrt92
-# Ref HDN+78 differ by 1.7 log K at 0C, 0.1 log K at 350C
-
-Lawrencite
- FeCl2 = Fe+2 + 2 Cl-
- log_k 9.0945
- -delta_H -84.7665 kJ/mol
-# deltafH -341.65 kJ/mol
- -analytic -2.2798e2 -8.1819e-2 9.2620e3 9.3097e1 1.4459e2
-# Range 0-300
- -Vm 40.31 # Webmineral.com
-# Extrapol Cp integration
-# Ref RHF79
-
-Lawsonite
- CaAl2Si2O7(OH)2:H2O + 8 H+ = Ca+2 + 2 Al+3 + 2 SiO2 + 6 H2O
- log_k 22.2132
- -delta_H -244.806 kJ/mol
-# deltafH -1158.1 kcal/mol
- -analytic 1.3995e1 -1.7668e-2 1.0119e4 -8.3100 1.5789e2
-# Range 0-350
- -Vm 101.32
-# Extrapol supcrt92
-# Ref HDN+78
-
-Li
- Li + H+ +0.25 O2 = 0.5 H2O + Li+
- log_k 72.7622
- -delta_H -418.339 kJ/mol
-# deltafH 0 kJ/mol
- -analytic -1.0227e2 -1.8118e-2 2.6262e4 3.8056e1 -1.6166e5
-# Range 0-300
- -Vm 13.017 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref CWM89
-
-Lime
- CaO + 2 H+ = Ca+2 + H2O
- log_k 32.5761
- -delta_H -193.832 kJ/mol
-# deltafH -151.79 kcal/mol
- -analytic -7.2686e1 -1.7654e-2 1.2199e4 2.8128e1 1.9037e2
-# Range 0-350
- -Vm 16.764
-# Extrapol supcrt92
-# Ref HDN+78
-
-Linnaeite
- Co3S4 + 4 H+ = Co+2 + 2 Co+3 + 4 HS-
- log_k -106.9017
- -delta_H 420.534 kJ/mol
-# deltafH -85.81 kcal/mol
- -analytic -6.0034e2 -2.0179e-1 -9.2145e3 2.3618e2 -1.4361e2
-# Range 0-300
- -Vm 63.55 # Webmineral.com
-# Extrapol Cp integration
-# Ref 78vau/cra
-
-Lizardite
- Mg3Si2O5(OH)4 + 6 H+ = 2 SiO2 + 3 Mg+2 + 5 H2O
- log_k 30.560
- -analytic 7.886e1 -2.108e-1 0 0 0 1.637e-4
-# Range 0-300
- -Vm 107.31
-# Extrapol supcrt92
-# Ref Wilson+06
-
-Lopezite
- K2Cr2O7 + H2O = 2 CrO4-2 + 2 H+ + 2 K+
- log_k -17.4366
- -delta_H 81.9227 kJ/mol
-# deltafH -493.003 kcal/mol
- -analytic 7.8359e1 -2.2908e-2 -9.3812e3 -2.3245e1 -1.5933e2
-# Range 0-200
- -Vm 109.93 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H Approx
-# Ref 76del/hal
-
-Magnesiochromite
- MgCr2O4 + 8 H+ = Mg+2 + 2 Cr+3 + 4 H2O
- log_k 21.6927
- -delta_H -302.689 kJ/mol
-# deltafH -1783.6 kJ/mol
- -analytic -1.7376e2 -8.7429e-3 2.1600e4 5.0762e1 3.6685e2
-# Range 0-200
- -Vm 43.564 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H Approx
-# Ref WEP+82
-
-Magnesite
- MgCO3 + H+ = HCO3- + Mg+2
- log_k 2.2936
- -delta_H -44.4968 kJ/mol
-# deltafH -265.63 kcal/mol
- -analytic -1.6665e2 -4.9469e-2 6.4344e3 6.5506e1 1.0045e2
-# Range 0-350
- -Vm 28.018
-# Extrapol supcrt92
-# Ref HDN+78
-
-Magnetite
- Fe3O4 + 8 H+ = Fe+2 + 2 Fe+3 + 4 H2O
- log_k 10.4724
- -delta_H -216.597 kJ/mol
-# deltafH -267.25 kcal/mol
- -analytic -3.0510e2 -7.9919e-2 1.8709e4 1.1178e2 2.9203e2
-# Range 0-350
- -Vm 44.524
-# Extrapol supcrt92
-# Ref HDN+78
-
-Malachite
- Cu2CO3(OH)2 + 3 H+ = HCO3- + 2 Cu+2 + 2 H2O
- log_k 5.9399
- -delta_H -76.2827 kJ/mol
-# deltafH -251.9 kcal/mol
- -analytic -2.7189e2 -6.9454e-2 1.1451e4 1.0511e2 1.7877e2
-# Range 0-350
- -Vm 54.86
-# Extrapol supcrt92
-# Ref HDN+78
-
-Manganosite
- MnO + 2 H+ = H2O + Mn+2
- log_k 17.9240
- -delta_H -121.215 kJ/mol
-# deltafH -92.07 kcal/mol
- -analytic -8.4114e1 -1.8490e-2 8.7792e3 3.1561e1 1.3702e2
-# Range 0-350
- -Vm 13.221
-# Extrapol supcrt92
-# Ref HDN+78
-
-Margarite
- CaAl4Si2O10(OH)2 + 14 H+ = Ca+2 + 2 SiO2 + 4 Al+3 + 8 H2O
- log_k 41.0658
- -delta_H -522.192 kJ/mol
-# deltafH -1485.8 kcal/mol
- -analytic -2.3138e2 -8.2788e-2 3.0154e4 7.9148e1 4.7060e2
-# Range 0-350
- -Vm 129.4
-# Extrapol supcrt92
-# Ref HDN+78 differ by 3.3 log K at 0C, 1.1 log K at 350C
-
-Maximum_Microcline
- KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2
- log_k -0.2753
- -delta_H -23.9408 kJ/mol
-# deltafH -949.188 kcal/mol
- -analytic -9.4387 1.3561e-2 1.2656e4 -7.4925 -1.6795e6
-# Range 0-350
- -Vm 108.741
-# Extrapol supcrt92
-# Ref HDN+78
-
-Mayenite
- Ca12Al14O33 + 66 H+ = 12 Ca+2 + 14 Al+3 + 33 H2O
- log_k 494.2199
- -delta_H -4056.77 kJ/mol
-# deltafH -4644 kcal/mol
- -analytic -1.4778e3 -2.9898e-1 2.4918e5 4.9518e2 4.2319e3
-# Range 0-200
- -Vm 517.41 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref 82sar/bar
-
-Melanterite
- FeSO4:7H2O = Fe+2 + SO4-2 + 7 H2O
- log_k -2.3490
- -delta_H 11.7509 kJ/mol
-# deltafH -3014.48 kJ/mol
- -analytic -2.6230e2 -7.2469e-2 6.5854e3 1.0484e2 1.0284e2
-# Range 0-300
- -Vm 146.48 # Marion+08
-# Extrapol Cp integration
-# Ref RHF79
-
-Merwinite
- MgCa3(SiO4)2 + 8 H+ = Mg+2 + 2 SiO2 + 3 Ca+2 + 4 H2O
- log_k 68.5140
- -delta_H -430.069 kJ/mol
-# deltafH -1090.8 kcal/mol
- -analytic -2.2524e2 -4.2525e-2 3.5619e4 7.9984e1 -9.8259e5
-# Range 0-350
- -Vm 104.4
-# Extrapol supcrt92
-# Ref HDN+78
-
-Mesolite
- Na.676Ca.657Al1.99Si3.01O10:2.647H2O + 7.96 H+ = 0.657 Ca+2 + 0.676 Na+ + 1.99 Al+3 + 3.01 SiO2 + 6.627 H2O
- log_k 13.6191
- -delta_H -179.744 kJ/mol
-# deltafH -5947.05 kJ/mol
- -analytic 7.1993 5.9356e-3 1.4717e4 -1.3627e1 -9.8863e5
-# Range 0-300
- -Vm 171.2 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 89db 6
-
-Mg
- Mg + 2 H+ + 0.5 O2 = H2O + Mg+2
- log_k 122.5365
- -delta_H -745.731 kJ/mol
-# deltafH 0 kJ/mol
- -analytic -6.5988e1 -1.9356e-2 4.0318e4 2.3862e1 6.2914e2
-# Range 0-300
- -Vm 13.996 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref CWM89
-
-MgOHCl
- MgOHCl + H+ = Cl- + H2O + Mg+2
- log_k 15.9138
- -delta_H -118.897 kJ/mol
-# deltafH -191.2 kcal/mol
- -analytic -1.6614e2 -4.9715e-2 1.0311e4 6.5578e1 1.6093e2
-# Range 0-300
- -Vm 33.23 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 73bar/kna
-
-MgSO4
- MgSO4 = Mg+2 + SO4-2
- log_k 4.8781
- -delta_H -90.6421 kJ/mol
-# deltafH -1284.92 kJ/mol
- -analytic -2.2439e2 -7.9688e-2 9.3058e3 8.9622e1 1.4527e2
-# Range 0-300
- -Vm 45.25 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref WEP+82
-
-Millerite
- NiS + H+ = HS- + Ni+2
- log_k -8.0345
- -delta_H 12.089 kJ/mol
-# deltafH -82.171 kJ/mol
- -analytic -1.4848e2 -4.8834e-2 2.6981e3 5.8976e1 4.2145e1
-# Range 0-300
- -Vm 16.89 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref WEP+82
-
-Minnesotaite
- Fe3Si4O10(OH)2 + 6 H+ = 3 Fe+2 + 4 H2O + 4 SiO2
- log_k 13.9805
- -delta_H -105.211 kJ/mol
-# deltafH -1153.37 kcal/mol
- -analytic -1.8812e1 1.7261e-2 1.9804e4 -6.4410 -2.0433e6
-# Range 0-300
- -Vm 147.86 # HDN+78
-# Extrapol Cp integration
-# Ref 78wol, Wilson+06 differ by 2.6 log K at 0C, 1.6 log K at 350C
-
-Mirabilite
- Na2SO4:10H2O = SO4-2 + 2 Na+ + 10 H2O
- log_k -1.1398
- -delta_H 79.4128 kJ/mol
-# deltafH -4328 kJ/mol
- -analytic -2.1877e2 -3.6692e-3 5.9214e3 8.0361e1 1.0063e2
-# Range 0-200
- -Vm 219.80 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref RHF79
-
-Mn
- Mn + 2 H+ + 0.5 O2 = H2O + Mn+2
- log_k 82.9505
- -delta_H -500.369 kJ/mol
-# deltafH 0 kJ/mol
- -analytic -6.5558e1 -2.0429e-2 2.7571e4 2.5098e1 4.3024e2
-# Range 0-300
- -Vm 7.354 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref RHF79
-
-Mn(OH)2(am)
- Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O
- log_k 15.3102
- -delta_H -97.1779 kJ/mol
-# deltafH -695.096 kJ/mol
- -analytic -7.8518e1 -7.5357e-3 8.0198e3 2.7955e1 1.3621e2
-# Range 0-200
- -Vm 22.36 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref WEP+82
-
-MnCl2:2H2O
- MnCl2:2H2O = Mn+2 + 2 Cl- + 2 H2O
- log_k 4.0067
- -delta_H -34.4222 kJ/mol
-# deltafH -1092.01 kJ/mol
- -analytic -6.2823e1 -2.3959e-2 2.9931e3 2.5834e1 5.0850e1
-# Range 0-200
- -Vm 71.12 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref WEP+82
-
-MnCl2:4H2O
- MnCl2:4H2O = Mn+2 + 2 Cl- + 4 H2O
- log_k 2.7563
- -delta_H -10.7019 kJ/mol
-# deltafH -1687.41 kJ/mol
- -analytic -1.1049e2 -2.3376e-2 4.0458e3 4.3097e1 6.8742e1
-# Range 0-200
- -Vm 98.46 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref WEP+82
-
-MnCl2:H2O
- MnCl2:H2O = H2O + Mn+2 + 2 Cl-
- log_k 5.5517
- -delta_H -50.8019 kJ/mol
-# deltafH -789.793 kJ/mol
- -analytic -4.5051e1 -2.5923e-2 2.8739e3 1.9674e1 4.8818e1
-# Range 0-200
- -Vm 42.27 # gfw/density
-# Extrapol Constant H approx
-# Ref WEP+82
-
-MnSO4
- MnSO4 = Mn+2 + SO4-2
- log_k 2.6561
- -delta_H -64.8718 kJ/mol
-# deltafH -1065.33 kJ/mol
- -analytic -2.3088e2 -8.2694e-2 8.1653e3 9.3256e1 1.2748e2
-# Range 0-300
- -Vm 46.46 # gfw/density
-# Extrapol Cp integration
-# Ref RHF79
-
-Mo
- Mo + 1.5 O2 + H2O = MoO4-2 + 2 H+
- log_k 109.3230
- -delta_H -693.845 kJ/mol
-# deltafH 0 kJ/mol
- -analytic -2.0021e2 -8.3006e-2 4.1629e4 8.0219e1 -3.4570e5
-# Range 0-300
- -Vm 9.387 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref RHF79
-
-Molysite
- FeCl3 = Fe+3 + 3 Cl-
- log_k 13.5517
- -delta_H -151.579 kJ/mol
-# deltafH -399.24 kJ/mol
- -analytic -3.1810e2 -1.2357e-1 1.3860e4 1.3010e2 2.1637e2
-# Range 0-300
- -Vm 55.86 # Webmineral.com
-# Extrapol Cp integration
-# Ref RHF79
-
-Monohydrocalcite
- CaCO3:H2O + H+ = Ca+2 + H2O + HCO3-
- log_k 2.6824
- -delta_H -20.5648 kJ/mol
-# deltafH -1498.29 kJ/mol
- -analytic -7.2614e1 -1.7217e-2 3.1850e3 2.8185e1 5.4111e1
-# Range 0-200
- -Vm 49.62 # Webmineral.com
-# Extrapol Constant H approx
-# Ref RHF79
-
-Monticellite
- CaMgSiO4 + 4 H+ = Ca+2 + Mg+2 + SiO2 + 2 H2O
- log_k 29.5852
- -delta_H -195.711 kJ/mol
-# deltafH -540.8 kcal/mol
- -analytic 1.5730e1 -3.5567e-3 9.0789e3 -6.3007 1.4166e2
-# Range 0-300
- -Vm 51.47
-# Extrapol supcrt92
-# Ref HDN+78
-
-Montmor-Ca
- Ca.175Mg.35Al1.65Si4O10(OH)2 + 6 H+ = 0.175 Ca+2 + 0.35 Mg+2 + 1.65 Al+3 + 4 H2O + 4 SiO2
- log_k 2.4952
- -delta_H -100.154 kJ/mol
-# deltafH -1361.5 kcal/mol
- -analytic 2.459e1 -9.080e-2 0 0 0 5.223e-5
-# Range 0-300
- -Vm 136.007
-# Extrapol supcrt92, Cp integration
-# Ref Catalano13, 88db 3 match
-
-Montmor-K
- K.35Mg.35Al1.65Si4O10(OH)2 + 6 H+ = 0.35 K+ + 0.35 Mg+2 + 1.65 Al+3 + 4 H2O + 4 SiO2
- log_k 2.1423
- -delta_H -88.184 kJ/mol
-# deltafH -1362.83 kcal/mol
- -analytic 2.022e1 -7.624e-2 0 0 0 4.102e-5
-# Range 0-300
- -Vm 140.140
-# Extrapol supcrt92, Cp integration
-# Ref Catalano13, 88db 3 match
-
-Montmor-Mg
- Mg.525Al1.65Si4O10(OH)2 + 6 H+ = 0.525 Mg+2 + 1.65 Al+3 + 4 H2O + 4 SiO2
- log_k 2.3879
- -delta_H -102.608 kJ/mol
-# deltafH -1357.87 kcal/mol
- -analytic 2.381e1 -9.031e-2 0 0 0 5.203e-5
-# Range 0-300
- -Vm 135.042
-# Extrapol supcrt92, Cp integration
-# Ref Catalano13, 88db 3 match
-
-Montmor-Na
- Na.35Mg.35Al1.65Si4O10(OH)2 + 6 H+ = 0.35 Mg+2 + 0.35 Na+ + 1.65 Al+3 + 4 H2O + 4 SiO2
- log_k 2.4844
- -delta_H -93.2165 kJ/mol
-# deltafH -1360.69 kcal/mol
- -analytic 2.348e1 -8.604e-2 0 0 0 4.951e-5
-# Range 0-300
- -Vm 137.449
-# Extrapol supcrt92, Cp integration
-# Ref Catalano13, 88db 3 match, but differ from Wilson+06 by 3.4 log K at 0C, 1.7 log K at 300C
-
-Mordenite
- Ca.2895Na.361Al.94Si5.06O12:3.468H2O + 3.76 H+ = 0.2895 Ca+2 + 0.361 Na+ + 0.94 Al+3 + 5.06 SiO2 + 5.348 H2O
- log_k -5.1969
- -delta_H 16.7517 kJ/mol
-# deltafH -6736.64 kJ/mol
- -analytic -5.4675e1 3.2513e-2 2.3412e4 -1.0419 -3.2292e6
-# Range 0-300
- -Vm 209.90 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 91joh/tas
-
-Morenosite
- NiSO4:7H2O = Ni+2 + SO4-2 + 7 H2O
- log_k -2.0140
- -delta_H 12.0185 kJ/mol
-# deltafH -2976.46 kJ/mol
- -analytic -2.6654e2 -7.2132e-2 6.7983e3 1.0636e2 1.0616e2
-# Range 0-300
- -Vm 144.17 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref WEP+82
-
-Muscovite
- KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 SiO2 + 6 H2O
- log_k 13.5858
- -delta_H -243.224 kJ/mol
-# deltafH -1427.41 kcal/mol
- -analytic 3.3085e1 -1.2425e-2 1.2477e4 -2.0865e1 -5.4692e5
-# Range 0-350
- -Vm 140.71
-# Extrapol supcrt92
-# Ref HDN+78
-
-Na
- Na + H+ + 0.25 O2 = 0.5 H2O + Na+
- log_k 67.3804
- -delta_H -380.185 kJ/mol
-# deltafH 0 kJ/mol
- -analytic -4.0458e1 -8.7899e-3 2.1223e4 1.5927e1 -1.2715e4
-# Range 0-300
- -Vm 23.812 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref CWM89
-
-Na2CO3
- Na2CO3 + H+ = HCO3- + 2 Na+
- log_k 11.1822
- -delta_H -39.8526 kJ/mol
-# deltafH -1130.68 kJ/mol
- -analytic -1.5495e2 -4.3374e-2 6.4821e3 6.3571e1 1.0119e2
-# Range 0-300
- -Vm 41.86 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref WEP+82
-
-Na2CO3:7H2O
- Na2CO3:7H2O + H+ = HCO3- + 2 Na+ + 7 H2O
- log_k 9.9459
- -delta_H 27.7881 kJ/mol
-# deltafH -3199.19 kJ/mol
- -analytic -2.0593e2 -3.4509e-3 8.1601e3 7.6594e1 1.3864e2
-# Range 0-200
- -Vm 153.71 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref WEP+82
-
-Na2Cr2O7
- Na2Cr2O7 + H2O = 2 CrO4-2 + 2 H+ + 2 Na+
- log_k -10.1597
- -delta_H 21.9702 kJ/mol
-# deltafH -473 kcal/mol
- -analytic 4.4885e1 -2.4919e-2 -5.0321e3 -1.2430e1 -8.5468e1
-# Range 0-200
- -Vm 103.96 # gfw/density
-# Extrapol Constant H approx
-# Ref 76del/hal
-
-Na2CrO4
- Na2CrO4 = CrO4-2 + 2 Na+
- log_k 2.9103
- -delta_H -19.5225 kJ/mol
-# deltafH -320.8 kcal/mol
- -analytic 5.4985 -9.9008e-3 1.0510e2
-# Range 0-200
- -Vm 59.48 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref 76del/hal
-
-Na2O
- Na2O + 2 H+ = H2O + 2 Na+
- log_k 67.4269
- -delta_H -351.636 kJ/mol
-# deltafH -99.14 kcal/mol
- -analytic -6.3585e1 -8.4695e-3 2.0923e4 2.5601e1 3.2651e2
-# Range 0-350
- -Vm 25
-# Extrapol supcrt92
-# Ref HDN+78
-
-Na2SiO3
- Na2SiO3 + 2 H+ = H2O + SiO2 + 2 Na+
- log_k 22.2418
- -delta_H -82.7093 kJ/mol
-# deltafH -373.19 kcal/mol
- -analytic -3.4928e1 5.6905e-3 1.0284e4 1.1197e1 -6.0134e5
-# Range 0-300
- -Vm 50.86 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 73bar/kna
-
-Na2U2O7
- Na2U2O7 + 6 H+ = 2 Na+ + 2 UO2+2 + 3 H2O
- log_k 22.5917
- -delta_H -172.314 kJ/mol
-# deltafH -3203.8 kJ/mol
- -analytic -8.6640e1 -1.0903e-2 1.1841e4 2.9406e1 1.8479e2
-# Range 0-300
- -Vm 95.34 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 92gre/fug
-
-NaFeO2
- NaFeO2 + 4 H+ = Fe+3 + Na+ + 2 H2O
- log_k 19.8899
- -delta_H -163.339 kJ/mol
-# deltafH -698.218 kJ/mol
- -analytic -7.0047e1 -9.6226e-3 1.0647e4 2.3071e1 1.8082e2
-# Range 0-200
- -Vm 33.48 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref WEP+82
-
-NaUO3
- NaUO3 + 2 H+ = H2O + Na+ + UO2+
- log_k 8.3371
- -delta_H -56.365 kJ/mol
-# deltafH -1494.9 kJ/mol
- -analytic -3.6363e1 7.0505e-4 4.5359e3 1.1828e1 7.0790e1
-# Range 0-300
- -Vm 42.56 # gfw/density
-# Extrapol Cp integration
-# Ref 92gre/fug
-
-Nahcolite
- NaHCO3 = HCO3- + Na+
- log_k -0.1118
- -delta_H 17.0247 kJ/mol
-# deltafH -226.4 kcal/mol
- -analytic -2.2282e2 -5.9693e-2 5.4887e3 8.9744e1 8.5712e1
-# Range 0-300
- -Vm 38.62 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 73bar/kna
-
-Nantokite
- CuCl = Cl- + Cu+
- log_k -6.7623
- -delta_H 41.9296 kJ/mol
-# deltafH -137.329 kJ/mol
- -analytic -2.2442e1 -1.1201e-2 -1.8709e3 1.0221e1 -3.1763e1
-# Range 0-200
- -Vm 23.92 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref WEP+82
-
-Natrolite
- Na2Al2Si3O10:2H2O + 8 H+ = 2 Al+3 + 2 Na+ + 3 SiO2 + 6 H2O
- log_k 18.5204
- -delta_H -186.971 kJ/mol
-# deltafH -5718.56 kJ/mol
- -analytic -2.7712e1 -2.7963e-3 1.6075e4 1.5332 -9.5765e5
-# Range 0-300
- -Vm 169.72 # HDN+78
-# Extrapol Cp integration
-# Ref 83joh/flo
-
-Natron
- Na2CO3:10H2O + H+ = HCO3- + 2 Na+ + 10 H2O
- log_k 9.6102
- -delta_H 50.4781 kJ/mol
-# deltafH -4079.39 kJ/mol
- -analytic -1.9981e2 -2.9247e-2 5.2937e3 8.0973e1 8.2662e1
-# Range 0-300
- -Vm 195.99 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref WEP+82
-
-Natrosilite
- Na2Si2O5 + 2 H+ = H2O + 2 Na+ + 2 SiO2
- log_k 18.1337
- -delta_H -51.7686 kJ/mol
-# deltafH -590.36 kcal/mol
- -analytic -2.7628e1 1.6865e-2 1.3302e4 4.2356 -1.2828e6
-# Range 0-300
- -Vm 72.57 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 77bar/kna
-
-Nepheline
- NaAlSiO4 + 4 H+ = Al+3 + Na+ + SiO2 + 2 H2O
- log_k 13.8006
- -delta_H -135.068 kJ/mol
-# deltafH -500.241 kcal/mol
- -analytic -2.4856e1 -8.8171e-3 8.5653e3 6.0904 -2.2786e5
-# Range 0-350
- -Vm 54.16
-# Extrapol supcrt92
-# Ref HDN+78
-
-Nesquehonite
- MgCO3:3H2O + H+ = HCO3- + Mg+2 + 3 H2O
- log_k 4.9955
- -delta_H -36.1498 kJ/mol
-# deltafH -472.576 kcal/mol
- -analytic 1.3771e2 -6.0397e-2 -3.5049e4 -1.8831e1 4.4213e6
-# Range 0-50
- -Vm 74.79
-# Extrapol supcrt92
-# Ref HDN+78
-
-NH4Cl
- NH4Cl = NH4+ + Cl-
- log_k 1.3252
- -analytic -3.078 1.550e-2 0 0 0 -3.451e-6
-# Range 0-30
- -Vm 34.96
-# Extrapol Marion+12
-# Ref Marion+12, WangLi11 match
-
-NH4-feldspar # Buddingtonite (sometimes with +0.5 H2O, especially at low temp)
- NH4AlSi3O8 + 4H+ = NH4+ + Al+3 + 3 SiO2 + 2 H2O
- log_k -2.7243
- -analytic -7.434e1 3.080e-1 0 0 0 -2.270e-4
-# Range 25-325
- -Vm 114.78 # Webmineral.com (Hovis04: 109.08-112.23)
-# Extrapol N17
-# Ref Wat81
-
-NH4HCO3
- NH4HCO3 = NH4+ + HCO3-
- log_k -0.0207
- -analytic -1.587e1 9.703e-2 0 0 0 -1.472e-4
-# Range 0-40
- -Vm 50.04
-# Extrapol Marion+12
-# Ref Marion+12
-
-NH4-muscovite # Tobelite
- NH4Al3Si3O10(OH)2 + 10 H+ = NH4+ + 3 Al+3 + 3 SiO2 + 6 H2O
- log_k 6.8109
- -analytical -6.638e1 3.170e-1 0 0 0 -2.386e-4
-# Range 25-325
- -Vm 146.07 # Hovis04
-# Extrapol N17
-# Ref Wat81
-
-Ni
- Ni + 2 H+ + 0.5 O2 = H2O + Ni+2
- log_k 50.9914
- -delta_H -333.745 kJ/mol
-# deltafH 0 kcal/mol
- -analytic -5.8308e1 -2.0133e-2 1.8444e4 2.1590e1 2.8781e2
-# Range 0-350
- -Vm 6.588
-# Extrapol supcrt92
-# Ref HDN+78
-
-Ni(OH)2
- Ni(OH)2 + 2 H+ = Ni+2 + 2 H2O
- log_k 12.7485
- -delta_H -95.6523 kJ/mol
-# deltafH -529.998 kJ/mol
- -analytic -6.5279e1 -5.9499e-3 7.3471e3 2.2290e1 1.2479e2
-# Range 0-200
- -Vm 22.34 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref WEP+82
-
-Ni2SiO4
- Ni2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Ni+2
- log_k 14.3416
- -delta_H -127.629 kJ/mol
-# deltafH -341.705 kcal/mol
- -analytic -4.0414e1 -1.1194e-2 9.6515e3 1.2026e1 -3.6336e5
-# Range 0-300
- -Vm 42.61 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 74nau/ryz
-
-NiCl2
- NiCl2 = Ni+2 + 2 Cl-
- log_k 8.6113
- -delta_H -82.7969 kJ/mol
-# deltafH -305.336 kJ/mol
- -analytic -1.2416 -2.3139e-2 2.6529e3 3.1696 4.5052e1
-# Range 0-200
- -Vm 36.70 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref WEP+82
-
-NiCl2:2H2O
- NiCl2:2H2O = Ni+2 + 2 Cl- + 2 H2O
- log_k 3.9327
- -delta_H -37.6746 kJ/mol
-# deltafH -922.135 kJ/mol
- -analytic -4.8814e1 -2.2602e-2 2.5951e3 2.0518e1 4.4086e1
-# Range 0-200
- -Vm 64.07 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref WEP+82
-
-NiSO4
- NiSO4 = Ni+2 + SO4-2
- log_k 5.3197
- -delta_H -90.5092 kJ/mol
-# deltafH -873.066 kJ/mol
- -analytic -1.8878e2 -7.6403e-2 7.9412e3 7.6866e1 1.2397e2
-# Range 0-300
- -Vm 42.05 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref WEP+82
-
-NiSO4:6H2O(alpha)
- NiSO4:6H2O = Ni+2 + SO4-2 + 6 H2O
- log_k -2.0072
- -delta_H 4.37983 kJ/mol
-# deltafH -2682.99 kJ/mol
- -analytic -1.1937e2 -1.3785e-2 4.1543e3 4.3454e1 7.0587e1
-# Range 0-200
- -Vm 126.6 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref WEP+82
-
-Nickelbischofite
- NiCl2:6H2O = Ni+2 + 2 Cl- + 6 H2O
- log_k 3.1681
- -delta_H 0.064088 kJ/mol
-# deltafH -2103.23 kJ/mol
- -analytic -1.4340e2 -2.1257e-2 5.1858e3 5.4759e1 8.8112e1
-# Range 0-200
- -Vm 123.15 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref WEP+82
-
-Ningyoite
- CaUP2O8:2H2O + 2 H+ = Ca+2 + U+4 + 2 H2O + 2 HPO4-2
- log_k -29.7931
- -delta_H -36.4769 kJ/mol
-# deltafH -1016.65 kcal/mol
- -analytic -1.0274e2 -4.9041e-2 1.7779e3 3.2973e1 3.0227e1
-# Range 0-200
- -Vm 116.77 # Webmineral.com
-# Extrapol Constant H approx
-# Ref 78lan
-
-Niter
- KNO3 = K+ + NO3-
- log_k -0.2061
- -delta_H 35.4794 kJ/mol
-# deltafH -494.46 kJ/mol
- -analytic -6.5607e1 -2.8165e-2 -4.0131e2 3.0361e1 -6.2425
-# Range 0-300
- -Vm 48.04 # Marion+05
-# Extrapol Cp integration
-# Ref RHF79
-
-Nontronite-Ca
- Ca.175Fe2Al.35Si3.65H2O12 + 7.4 H+ = 0.175 Ca+2 + 0.35 Al+3 + 2 Fe+3 + 3.65 SiO2 + 4.7 H2O
- log_k -11.5822
- -delta_H -38.138 kJ/mol
-# deltafH -1166.7 kcal/mol
- -analytic 3.697 -4.892e-2 0 0 0 1.489e-5
-# Range 0-300
- -Vm 137.780
-# Extrapol supcrt92, Cp integration
-# Ref Catalano13, 78wol differ by 2.6 log K at 0C, 0.2 log K at 300C
-
-Nontronite-K
- K.35Fe2Al.35Si3.65H2O12 + 7.4 H+ = 0.35 Al+3 + 0.35 K+ + 2 Fe+3 + 3.65 SiO2 + 4.7 H2O
- log_k -11.8648
- -delta_H -26.5822 kJ/mol
-# deltafH -1167.93 kcal/mol
- -analytic -1.959 -3.115e-2 0 0 0 1.139e-6
-# Range 0-300
- -Vm 141.913
-# Extrapol supcrt92, Cp integration
-# Ref Catalano13, 78wol differ by 1.1 log K at 0C, 0.5 log K at 300C
-
-Nontronite-Mg
- Mg.175Fe2Al.35Si3.65H2O12 + 7.4 H+ = 0.175 Mg+2 + 0.35 Al+3 + 2 Fe+3 + 3.65 SiO2 + 4.7 H2O
- log_k -11.6200
- -delta_H -41.1779 kJ/mol
-# deltafH -1162.93 kcal/mol
- -analytic 2.476 -4.730e-2 0 0 0 1.382e-5
-# Range 0-300
- -Vm 136.815
-# Extrapol supcrt92, Cp integration
-# Ref Catalano13, 78wol
-
-Nontronite-Na
- Na.35Fe2Al.35Si3.65H2O12 + 7.4 H+ = 0.35 Al+3 + 0.35 Na+ + 2 Fe+3 + 3.65 SiO2 + 4.7 H2O
- log_k -11.5263
- -delta_H -31.5687 kJ/mol
-# deltafH -1165.8 kcal/mol
- -analytic 1.106 -4.045e-2 0 0 0 9.229e-6
-# Range 0-300
- -Vm 139.221
-# Extrapol supcrt92, Cp integration
-# Ref Catalano13, 78wol differ by 1.7 log K at 0C, 0.2 log K at 300C
-
-Okenite
- CaSi2O4(OH)2:H2O + 2 H+ = Ca+2 + 2 SiO2 + 3 H2O
- log_k 10.3816
- -delta_H -19.4974 kJ/mol
-# deltafH -749.641 kcal/mol
- -analytic -7.7353e1 1.5091e-2 1.3023e4 2.1337e1 -1.1831e6
-# Range 0-300
- -Vm 94.77 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 82sar/bar
-
-P
- P + 1.5 H2O + 1.25 O2 = HPO4-2 + 2 H+
- log_k 132.1032
- -delta_H -848.157 kJ/mol
-# deltafH 0 kJ/mol
- -analytic -9.2727e1 -6.8342e-2 4.3465e4 4.0156e1 6.7826e2
-# Range 0-300
- -Vm 17.2 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref CWM89
-
-Paragonite
- NaAl3Si3O10(OH)2 + 10 H+ = Na+ + 3 Al+3 + 3 SiO2 + 6 H2O
- log_k 17.5220
- -delta_H -275.056 kJ/mol
-# deltafH -1416.96 kcal/mol
- -analytic 3.5507e1 -1.0720e-2 1.3519e4 -2.2283e1 -4.5657e5
-# Range 0-350
- -Vm 132.53
-# Extrapol supcrt92
-# Ref HDN+78, differ by 2.5 log K at 0C, 0.6 log K at 350C, but match Wilson+06
-
-Pargasite
- NaCa2Al3Mg4Si6O22(OH)2 + 22 H+ = Na+ + 2 Ca+2 + 3 Al+3 + 4 Mg+2 + 6 SiO2 + 12 H2O
- log_k 101.9939
- -delta_H -880.205 kJ/mol
-# deltafH -3016.62 kcal/mol
- -analytic -6.7889e1 -3.7817e-2 5.0493e4 9.2705 -1.0163e6
-# Range 0-350
- -Vm 273.5
-# Extrapol supcrt92
-# Ref HDN+78
-
-Periclase
- MgO + 2 H+ = H2O + Mg+2
- log_k 21.3354
- -delta_H -150.139 kJ/mol
-# deltafH -143.8 kcal/mol
- -analytic -8.8465e1 -1.8390e-2 1.0414e4 3.2469e1 1.6253e2
-# Range 0-350
- -Vm 11.248
-# Extrapol supcrt92
-# Ref HDN+78
-
-Petalite
- LiAlSi4O10 + 4 H+ = Al+3 + Li+ + 2 H2O + 4 SiO2
- log_k -3.8153
- -delta_H -13.1739 kJ/mol
-# deltafH -4886.15 kJ/mol
- -analytic -6.6355 2.4316e-2 1.5949e4 -1.3341e1 -2.2265e6
-# Range 0-300
- -Vm 128.4 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref WEP+82
-
-Phlogopite
- KAlMg3Si3O10(OH)2 + 10 H+ = Al+3 + K+ + 3 Mg+2 + 3 SiO2 + 6 H2O
- log_k 37.4400
- -delta_H -310.503 kJ/mol
-# deltafH -1488.07 kcal/mol
- -analytic -8.7730e1 -1.7253e-2 2.3748e4 2.4465e1 -8.9045e5
-# Range 0-350
- -Vm 149.66
-# Extrapol supcrt92
-# Ref HDN+78
-
-Polydymite
- Ni3S4 + 2 H+ = S2-2 + 2 HS- + 3 Ni+2
- log_k -48.9062
-# deltafH -78.014 kcal/mol
- -analytic -1.8030e1 -4.6945e-2 -1.1557e4 8.8339 -1.9625e2
-# Range 0-200
- -Vm 64.14 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref 78vau/cra
-
-Portlandite
- Ca(OH)2 + 2 H+ = Ca+2 + 2 H2O
- log_k 22.5552
- -delta_H -128.686 kJ/mol
-# deltafH -986.074 kJ/mol
- -analytic -8.3848e1 -1.8373e-2 9.3154e3 3.2584e1 1.4538e2
-# Range 0-300
- -Vm 33.056 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref RHF79
-
-Prehnite
- Ca2Al2Si3O10(OH)2 + 10 H+ = 2 Al+3 + 2 Ca+2 + 3 SiO2 + 6 H2O
- log_k 32.9305
- -delta_H -311.875 kJ/mol
-# deltafH -1481.65 kcal/mol
- -analytic -3.5763e1 -2.1396e-2 2.0167e4 6.3554 -7.4967e5
-# Range 0-350
- -Vm 140.33
-# Extrapol supcrt92
-# Ref HDN+78
-
-Pseudowollastonite
- CaSiO3 + 2 H+ = Ca+2 + H2O + SiO2
- log_k 13.9997
- -delta_H -79.4625 kJ/mol
-# deltafH -388.9 kcal/mol
- -analytic 2.6691e1 6.3323e-3 5.5723e3 -1.1822e1 -3.6038e5
-# Range 0-300
- -Vm 40.08 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 77bar/kna
-
-Pyridine
- C5H5N + 6.25 O2 = 5 CO2 + 2.5 H2O + 0.5 N2
- log_k 490.7474
- -delta_H -669.9574 kcal/mol
- -analytic 1071.04 -2.50773 0 0 0 0.00188
-# Range 0-350
- -Vm 64.4
-# Extrapol supcrt92
-# Ref Hel+98
-
-Pyrite
- FeS2 + H2O = 0.25 H+ + 0.25 SO4-2 + Fe+2 + 1.75 HS-
- log_k -24.6534
- -delta_H 109.535 kJ/mol
-# deltafH -41 kcal/mol
- -analytic -2.4195e2 -8.7948e-2 -6.2911e2 9.9248e1 -9.7454
-# Range 0-350
- -Vm 23.94
-# Extrapol supcrt92
-# Ref HDN+78
-
-Pyrolusite
- MnO2 = 0.5 Mn+2 + 0.5 MnO4-2
- log_k -17.6439
- -delta_H 83.3804 kJ/mol
-# deltafH -520.031 kJ/mol
- -analytic -1.1541e2 -4.1665e-2 -1.8960e3 4.7094e1 -2.9551e1
-# Range 0-300
- -Vm 18.38 # Webmineral.com
-# Extrapol Cp integration
-# Ref RHF79
-
-Pyrophyllite
- Al2Si4O10(OH)2 + 6 H+ = 2 Al+3 + 4 H2O + 4 SiO2
- log_k 0.4397
- -delta_H -102.161 kJ/mol
-# deltafH -1345.31 kcal/mol
- -analytic 1.1066e1 1.2707e-2 1.6417e4 -1.9596e1 -1.8791e6
-# Range 0-350
- -Vm 126.6
-# Extrapol supcrt92
-# Ref HDN+78, Wilson+06 match
-
-Pyrrhotite
- FeS + H+ = Fe+2 + HS-
- log_k -3.7193
- -delta_H -7.9496 kJ/mol
-# deltafH -24 kcal/mol
- -analytic -1.5785e2 -5.2258e-2 3.9711e3 6.3195e1 6.2012e1
-# Range 0-350
- -Vm 18.2
-# Extrapol supcrt92
-# Ref HDN+78
-
-Quartz
- SiO2 = SiO2
- log_k -3.9993
- -delta_H 32.949 kJ/mol
-# deltafH -217.65 kcal/mol
- -analytic 7.7698e-2 1.0612e-2 3.4651e3 -4.3551 -7.2138e5
-# Range 0-350
- -Vm 22.68
-# Extrapol supcrt92
-# Ref HDN+78
-
-Rankinite
- Ca3Si2O7 + 6 H+ = 2 SiO2 + 3 Ca+2 + 3 H2O
- log_k 51.9078
- -delta_H -302.089 kJ/mol
-# deltafH -941.7 kcal/mol
- -analytic -9.6393e1 -1.6592e-2 2.4832e4 3.2541e1 -9.4630e5
-# Range 0-300
- -Vm 96.13 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 77bar/kna
-
-Rhodochrosite
- MnCO3 + H+ = HCO3- + Mn+2
- log_k -0.1928
- -delta_H -21.3426 kJ/mol
-# deltafH -212.521 kcal/mol
- -analytic -1.6195e2 -4.9344e-2 5.0937e3 6.4402e1 7.9531e1
-# Range 0-350
- -Vm 31.075
-# Extrapol supcrt92
-# Ref HDN+78
-
-Rhodonite
- MnSiO3 + 2 H+ = H2O + Mn+2 + SiO2
- log_k 9.7301
- -delta_H -64.7121 kJ/mol
-# deltafH -1319.42 kJ/mol
- -analytic 2.0585e1 4.9941e-3 4.5816e3 -9.8212 -3.0658e5
-# Range 0-300
- -Vm 35.87 # Webmineral.com
-# Extrapol Cp integration
-# Ref RHF79
-
-Ripidolite
- Mg3Fe2Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 2 Fe+2 + 3 Mg+2 + 3 SiO2 + 12 H2O
- log_k 60.9638
- -delta_H -572.472 kJ/mol
-# deltafH -1947.87 kcal/mol
- -analytic 2.122e2 -6.025e-1 0 0 0 4.579e-4
-# Range 0-300
- -Vm 208.614
-# Extrapol supcrt92
-# Ref Catalano13
-
-Rutherfordine
- UO2CO3 + H+ = HCO3- + UO2+2
- log_k -4.1064
- -delta_H -19.4032 kJ/mol
-# deltafH -1689.53 kJ/mol
- -analytic -8.8224e1 -3.1434e-2 2.6675e3 3.4161e1 4.1650e1
-# Range 0-300
- -Vm 57.90 # Webmineral.com
-# Extrapol Cp integration
-# Ref 92gre/fug
-
-Rutile
- TiO2 + 2 H2O = Ti(OH)4
- log_k -9.6452
-# deltafH -226.107 kcal/mol
- -Vm 18.82
-# Ref RHF79
-
-S
- S + H2O = 0.5 O2 + H+ + HS-
- log_k -45.0980
- -delta_H 263.663 kJ/mol
-# deltafH 0 kJ/mol
- -analytic -8.8928e1 -2.8454e-2 -1.1516e4 3.6747e1 -1.7966e2
-# Range 0-300
- -Vm 15.511 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref CWM89
-
-Saleeite
- Mg(UO2)2(PO4)2 + 2 H+ = Mg+2 + 2 HPO4-2 + 2 UO2+2
- log_k -19.4575
- -delta_H -110.816 kJ/mol
-# deltafH -1189.61 kcal/mol
- -analytic -6.0028e1 -4.4391e-2 3.9168e3 1.6428e1 6.6533e1
-# Range 0-200
- -Vm 285.77 # Webmineral.com
-# Extrapol Constant H approx
-# Ref 78lan
-
-Sanidine_high
- KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2
- log_k 0.9239
- -delta_H -35.0284 kJ/mol
-# deltafH -946.538 kcal/mol
- -analytic -3.4889 1.4495e-2 1.2856e4 -9.8978 -1.6572e6
-# Range 0-350
- -Vm 109.008
-# Extrapol supcrt92
-# Ref HDN+78
-
-Saponite-Fe-Ca
- Ca.175Fe3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Ca+2 + 0.35 Al+3 + 3 Fe+2 + 3.65 SiO2 + 4.7 H2O
- log_k 20.3624
- -analytic 5.992e1 -1.681e-1 0 0 0 1.174e-4
-# Range 0-300
- -Vm 143.506
-# Extrapol supcrt92
-# Ref Catalano13
-
-Saponite-Fe-Fe
- Fe3.175Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Al+3 + 3.175 Fe+2 + 3.65 SiO2 + 4.7 H2O
- log_k 18.9359
- -analytic 5.762e1 -1.630e-1 0 0 0 1.099e-4
-# Range 0-300
- -Vm 142.672
-# Extrapol supcrt92
-# Ref Catalano13
-
-Saponite-Fe-K
- K.35Fe3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 K+ + 0.35 Al+3 + 3 Fe+2 + 3.65 SiO2 + 4.7 H2O
- log_k 18.7937
- -analytic 5.427e1 -1.504e-1 0 0 0 1.037e-4
-# Range 0-300
- -Vm 147.639
-# Extrapol supcrt92
-# Ref Catalano13
-
-Saponite-Fe-Mg
- Mg.175Fe3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Mg+2 + 0.35 Al+3 + 3 Fe+2 + 3.65 SiO2 + 4.7 H2O
- log_k 19.5290
- -analytic 5.870e1 -1.665e-1 0 0 0 1.163e-4
-# Range 0-300
- -Vm 142.541
-# Extrapol supcrt92
-# Ref Catalano13
-
-Saponite-Fe-Na
- Na.35Fe3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Na+ + 0.35 Al+3 + 3 Fe+2 + 3.65 SiO2 + 4.7 H2O
- log_k 19.7977
- -analytic 5.733e1 -1.597e-1 0 0 0 1.117e-4
-# Range 0-300
- -Vm 144.947
-# Extrapol supcrt92
-# Ref Catalano13
-
-Saponite-Mg-Ca
- Ca.175Mg3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Ca+2 + 0.35 Al+3 + 3 Mg+2 + 3.65 SiO2 + 4.7 H2O
- log_k 26.2900
- -delta_H -207.971 kJ/mol
-# deltafH -1436.51 kcal/mol
- -analytic 8.088e1 -2.233e-1 0 0 0 1.655e-4
-# Range 0-300
- -Vm 141.250
-# Extrapol supcrt92, Cp integration
-# Ref Catalano13, 78wol match
-
-Saponite-Mg-Fe
- Fe.175Mg3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Fe+2 + 0.35 Al+3 + 3 Mg+2 + 3.65 SiO2 + 4.7 H2O
- log_k 27.6789
- -analytic 7.825e1 -2.180e-1 0 0 0 1.612e-4
-# Range 0-300
- -Vm 140.416
-# Extrapol supcrt92
-# Ref Catalano13
-
-Saponite-Mg-K
- K.35Mg3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Al+3 + 0.35 K+ + 3 Mg+2 + 3.65 SiO2 + 4.7 H2O
- log_k 26.0075
- -delta_H -196.402 kJ/mol
-# deltafH -1437.74 kcal/mol
- -analytic 7.522e1 -2.055e-1 0 0 0 1.517e-4
-# Range 0-300
- -Vm 145.383
-# Extrapol supcrt92, Cp integration
-# Ref Catalano13, 78wol differ by 1.7 log K at 0C, 0.7 log K at 300C
-
-Saponite-Mg-Mg
- Mg3.175Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Al+3 + 3.175 Mg+2 + 3.65 SiO2 + 4.7 H2O
- log_k 26.2523
- -delta_H -210.822 kJ/mol
-# deltafH -1432.79 kcal/mol
- -analytic 7.965e1 -2.217e-1 0 0 0 1.644e-4
-# Range 0-300
- -Vm 140.285
-# Extrapol supcrt92, Cp integration
-# Ref Catalano13, 78wol differ by 2.2 log K at 0C, 0.6 log K at 300C
-
-Saponite-Mg-Na
- Na.35Mg3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Al+3 + 0.35 Na+ + 3 Mg+2 + 3.65 SiO2 + 4.7 H2O
- log_k 26.3459
- -delta_H -201.401 kJ/mol
-# deltafH -1435.61 kcal/mol
- -analytic 7.829e1 -2.148e-1 0 0 0 1.598e-4
-# Range 0-300
- -Vm 142.691
-# Extrapol supcrt92, Cp integration
-# Ref Catalano13, 78wol differ by 2.4 log K at 0C, 0.7 log K at 300C
-
-Sc
- Sc + 3 H+ + 0.75 O2 = Sc+3 + 1.5 H2O
- log_k 167.2700
- -delta_H -1033.87 kJ/mol
-# deltafH 0 kJ/mol
- -analytic -6.6922e1 -2.9150e-2 5.4559e4 2.4189e1 8.5137e2
-# Range 0-300
- -Vm 15.038 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref RHF79
-
-Scacchite
- MnCl2 = Mn+2 + 2 Cl-
- log_k 8.7785
- -delta_H -73.4546 kJ/mol
-# deltafH -481.302 kJ/mol
- -analytic -2.3476e2 -8.2437e-2 9.0088e3 9.6128e1 1.4064e2
-# Range 0-300
- -Vm 42.27 # Webmineral.com
-# Extrapol Cp integration
-# Ref WEP+82
-
-Schoepite
- UO3:2H2O + 2 H+ = UO2+2 + 3 H2O
- log_k 4.8333
- -delta_H -50.415 kJ/mol
-# deltafH -1826.1 kJ/mol
- -analytic 1.3645e1 1.0884e-2 2.5412e3 -8.3167e0 3.9649e1
-# Range 0-300
- -Vm 66.08 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 92gre/fug
-
-Scolecite
- CaAl2Si3O10:3H2O + 8 H+ = Ca+2 + 2 Al+3 + 3 SiO2 + 7 H2O
- log_k 15.8767
- -delta_H -204.93 kJ/mol
-# deltafH -6048.92 kJ/mol
- -analytic 5.0656e1 -3.1485e-3 1.0574e4 -2.5663e1 -5.2769e5
-# Range 0-300
- -Vm 172.29 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 83joh/flo
-
-Sepiolite
- Mg4Si6O15(OH)2:6H2O + 8 H+ = 4 Mg+2 + 6 SiO2 + 11 H2O
- log_k 30.4439
- -delta_H -157.339 kJ/mol
-# deltafH -2418 kcal/mol
- -analytic 1.8690e1 4.7544e-2 2.6765e4 -2.5301e1 -2.6498e6
-# Range 0-350
- -Vm 285.6
-# Extrapol supcrt92
-# Ref HDN+78
-
-Si
- Si + O2 = SiO2
- log_k 148.9059
- -delta_H -865.565 kJ/mol
-# deltafH 0 kJ/mol
- -analytic -5.7245e2 -7.6302e-2 8.3516e4 2.0045e2 -2.8494e6
-# Range 0-300
- -Vm 12.056 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref CWM89
-
-Siderite
- FeCO3 + H+ = Fe+2 + HCO3-
- log_k -0.1920
- -delta_H -32.5306 kJ/mol
-# deltafH -179.173 kcal/mol
- -analytic -1.5990e2 -4.9361e-2 5.4947e3 6.3032e1 8.5787e1
-# Range 0-350
- -Vm 29.378
-# Extrapol supcrt92
-# Ref HDN+78
-
-Sillimanite
- Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O
- log_k 16.3080
- -delta_H -238.442 kJ/mol
-# deltafH -615.099 kcal/mol
- -analytic -7.1610e1 -3.2196e-2 1.2493e4 2.2449e1 1.9496e2
-# Range 0-350
- -Vm 49.9
-# Extrapol supcrt92
-# Ref HDN+78
-
-SiO2(am)
- SiO2 = SiO2
- log_k -2.7136
- -delta_H 20.0539 kJ/mol
-# deltafH -214.568 kcal/mol
- -analytic 1.2109 7.0767e-3 2.3634e3 -3.4449 -4.8591e5
-# Range 0-325
- -Vm 29
-# Extrapol supcrt92
-# Ref HDN+78
-
-Sm
- Sm + 2 H+ + 0.5 O2 = H2O + Sm+2
- log_k 133.1614
- -delta_H -783.944 kJ/mol
-# deltafH 0 kJ/mol
- -analytic -7.1599e1 -2.0083e-2 4.2693e4 2.7291e1 6.6621e2
-# Range 0-300
- -Vm 19.98 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref RHF79
-
-Smectite-high-Fe-Mg
- Ca.025Na.1K.2Fe.5Fe.2Mg1.15Al1.25Si3.5H2O12 + 8 H+ = 0.025 Ca+2 + 0.1 Na+ + 0.2 Fe+3 + 0.2 K+ + 0.5 Fe+2 + 1.15 Mg+2 + 1.25 Al+3 + 3.5 SiO2 + 5 H2O
- log_k 17.4200
- -delta_H -199.841 kJ/mol
-# deltafH -1351.39 kcal/mol
- -analytic -9.6102 1.2551e-3 1.8157e4 -7.9862 -1.3005e6
-# Range 0-300
- -Vm 139.07 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 78wol
-
-Smectite-low-Fe-Mg
- Ca.02Na.15K.2Fe.29Fe.16Mg.9Al1.25Si3.75H2O12 + 7 H+ = 0.02 Ca+2 + 0.15 Na+ + 0.16 Fe+3 + 0.2 K+ + 0.29 Fe+2 + 0.9 Mg+2 + 1.25 Al+3 + 3.75 SiO2 + 4.5 H2O
- log_k 11.0405
- -delta_H -144.774 kJ/mol
-# deltafH -1352.12 kcal/mol
- -analytic -1.7003e1 6.9848e-3 1.8359e4 -6.8896 -1.6637e6
-# Range 0-300
- -Vm 139.39 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 78wol
-
-Smithsonite
- ZnCO3 + H+ = HCO3- + Zn+2
- log_k 0.4633
- -delta_H -30.5348 kJ/mol
-# deltafH -194.26 kcal/mol
- -analytic -1.6452e2 -5.0231e-2 5.5925e3 6.5139e1 8.7314e1
-# Range 0-350
- -Vm 28.275
-# Extrapol supcrt92
-# Ref HDN+78
-
-Sphaerocobaltite
- CoCO3 + H+ = Co+2 + HCO3-
- log_k -0.2331
- -delta_H -30.7064 kJ/mol
-# deltafH -171.459 kcal/mol
- -analytic -1.5709e2 -4.8957e-2 5.3158e3 6.2075e1 8.2995e1
-# Range 0-300
- -Vm 28.8 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 84sve
-
-Sphalerite
- ZnS + H+ = HS- + Zn+2
- log_k -11.4400
- -delta_H 35.5222 kJ/mol
-# deltafH -49 kcal/mol
- -analytic -1.5497e2 -4.8953e-2 1.7850e3 6.1472e1 2.7899e1
-# Range 0-350
- -Vm 23.83
-# Extrapol supcrt92
-# Ref HDN+78
-
-Spinel
- Al2MgO4 + 8 H+ = Mg+2 + 2 Al+3 + 4 H2O
- log_k 37.6295
- -delta_H -398.108 kJ/mol
-# deltafH -546.847 kcal/mol
- -analytic -3.3895e2 -8.3595e-2 2.9251e4 1.2260e2 4.5654e2
-# Range 0-350
- -Vm 39.71
-# Extrapol supcrt92
-# Ref HDN+78
-
-Spinel-Co
- Co3O4 + 8 H+ = Co+2 + 2 Co+3 + 4 H2O
- log_k -6.4852
- -delta_H -126.415 kJ/mol
-# deltafH -891 kJ/mol
- -analytic -3.2239e2 -8.0782e-2 1.4635e4 1.1755e2 2.2846e2
-# Range 0-300
- -Vm 39.41 # gfw/density
-# Extrapol Cp integration
-# Ref WEP+82
-
-Spodumene
- LiAlSi2O6 + 4 H+ = Al+3 + Li+ + 2 H2O + 2 SiO2
- log_k 6.9972
- -delta_H -89.1817 kJ/mol
-# deltafH -3054.75 kJ/mol
- -analytic -9.8111 2.1191e-3 9.6920e3 -3.0484 -7.8822e5
-# Range 0-300
- -Vm 58.37 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref WEP+82
-
-Stilbite
- Ca1.019Na.136K.006Al2.18Si6.82O18:7.33H2O + 8.72 H+ = 0.006 K+ + 0.136 Na+ + 1.019 Ca+2 + 2.18 Al+3 + 6.82 SiO2 + 11.69 H2O
- log_k 1.0545
- -delta_H -83.0019 kJ/mol
-# deltafH -11005.7 kJ/mol
- -analytic -2.4483e1 3.0987e-2 2.8013e4 -1.5802e1 -3.4491e6
-# Range 0-300
- -Vm 333.50 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 90how/joh
-
-Strengite
- FePO4:2H2O + H+ = Fe+3 + HPO4-2 + 2 H2O
- log_k -11.3429
- -delta_H -37.107 kJ/mol
-# deltafH -1876.23 kJ/mol
- -analytic -2.7752e2 -9.4014e-2 7.6862e3 1.0846e2 1.2002e2
-# Range 0-300
- -Vm 65.10 # Webmineral.com
-# Extrapol Cp integration
-# Ref RHF79
-
-Sylvite
- KCl = Cl- + K+
- log_k 0.8459
- -delta_H 17.4347 kJ/mol
-# deltafH -104.37 kcal/mol
- -analytic -8.1204e1 -3.3074e-2 8.2819e2 3.6014e1 1.2947e1
-# Range 0-350
- -Vm 37.524
-# Extrapol supcrt92
-# Ref HDN+78
-
-Talc
- Mg3Si4O10(OH)2 + 6 H+ = 3 Mg+2 + 4 H2O + 4 SiO2
- log_k 21.1383
- -delta_H -148.737 kJ/mol
-# deltafH -1410.92 kcal/mol
- -analytic 1.1164e1 2.4724e-2 1.9810e4 -1.7568e1 -1.8241e6
-# Range 0-350
- -Vm 136.25
-# Extrapol supcrt92
-# Ref HDN+78, Wilson+06 match
-
-Tarapacaite
- K2CrO4 = CrO4-2 + 2 K+
- log_k -0.4037
- -delta_H 17.8238 kJ/mol
-# deltafH -335.4 kcal/mol
- -analytic 2.7953e1 -1.0863e-2 -2.7589e3 -6.4154e0 -4.6859e1
-# Range 0-200
- -Vm 70.87 # Webmineral.com
-# Extrapol Constant H approx
-# Ref 76del/hal
-
-Tenorite
- CuO + 2 H+ = Cu+2 + H2O
- log_k 7.6560
- -delta_H -64.5047 kJ/mol
-# deltafH -37.2 kcal/mol
- -analytic -8.9899e1 -1.8886e-2 6.0346e3 3.3517e1 9.4191e1
-# Range 0-350
- -Vm 12.22
-# Extrapol supcrt92
-# Ref HDN+78
-
-Tephroite
- Mn2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Mn+2
- log_k 23.0781
- -delta_H -160.1 kJ/mol
-# deltafH -1730.47 kJ/mol
- -analytic -3.2440e1 -1.1023e-2 8.8910e3 1.1691e1 1.3875e2
-# Range 0-300
- -Vm 47.52 # Webmineral.com
-# Extrapol Cp integration
-# Ref WEP+82
-
-Th
- Th + 4 H+ + O2 = Th+4 + 2 H2O
- log_k 209.6028
- -delta_H -1328.56 kJ/mol
-# deltafH 0 kJ/mol
- -analytic -2.8256e1 -1.1963e-2 6.8870e4 4.2068e0 1.0747e3
-# Range 0-300
- -Vm 19.83 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref CWM89
-
-Th(NO3)4:5H2O
- Th(NO3)4:5H2O = Th+4 + 4 NO3- + 5 H2O
- log_k 1.7789
- -delta_H -18.1066 kJ/mol
-# deltafH -3007.35 kJ/mol
- -analytic -1.2480e2 -2.0405e-2 5.1601e3 4.6613e1 8.7669e1
-# Range 0-200
- -Vm 203.62 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref WEP+82
-
-Th(SO4)2
- Th(SO4)2 = Th+4 + 2 SO4-2
- log_k -20.3006
- -delta_H -46.1064 kJ/mol
-# deltafH -2542.12 kJ/mol
- -analytic -8.4525 -3.5442e-2 0 0 -1.1540e5
-# Range 0-200
- -Vm 100.39 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref WEP+82
-
-Th2S3
- Th2S3 + 5 H+ + 0.5 O2 = H2O + 2 Th+4 + 3 HS-
- log_k 95.2290
- -delta_H -783.243 kJ/mol
-# deltafH -1082.89 kJ/mol
- -analytic -3.2969e2 -1.1090e-1 4.6877e4 1.2152e2 7.3157e2
-# Range 0-300
- -Vm 71.19 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref WEP+82
-
-Th7S12
- Th7S12 + 16 H+ + O2 = 2 H2O + 7 Th+4 + 12 HS-
- log_k 204.0740
- -delta_H -1999.4 kJ/mol
-# deltafH -4136.58 kJ/mol
- -analytic -2.1309e2 -1.4149e-1 9.8550e4 5.2042e1 1.6736e3
-# Range 0-200
- -Vm 248.02 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref WEP+82
-
-ThCl4
- ThCl4 = Th+4 + 4 Cl-
- log_k 23.8491
- -delta_H -251.094 kJ/mol
-# deltafH -283.519 kcal/mol
- -analytic -5.9340 -4.1640e-2 9.8623e3 3.6804 1.6748e2
-# Range 0-200
- -Vm 81.45 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref 80lan/her
-
-ThS2
- ThS2 + 2 H+ = Th+4 + 2 HS-
- log_k 10.7872
- -delta_H -175.369 kJ/mol
-# deltafH -625.867 kJ/mol
- -analytic -3.7691e1 -2.3714e-2 8.4673e3 1.0970e1 1.4380e2
-# Range 0-200
- -Vm 40.57 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref WEP+82
-
-Thenardite
- Na2SO4 = SO4-2 + 2 Na+
- log_k -0.3091
- -delta_H -2.33394 kJ/mol
-# deltafH -1387.87 kJ/mol
- -analytic -2.1202e2 -7.1613e-2 5.1083e3 8.7244e1 7.9773e1
-# Range 0-300
- -Vm 53.33 # Marion+05
-# Extrapol Cp integration
-# Ref RHF79
-
-Thermonatrite
- Na2CO3:H2O + H+ = H2O + HCO3- + 2 Na+
- log_k 10.9623
- -delta_H -27.5869 kJ/mol
-# deltafH -1428.78 kJ/mol
- -analytic -1.4030e2 -3.5263e-2 5.7840e3 5.7528e1 9.0295e1
-# Range 0-300
- -Vm 54.92 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref WEP+82
-
-Thorianite
- ThO2 + 4 H+ = Th+4 + 2 H2O
- log_k 1.8624
- -delta_H -114.296 kJ/mol
-# deltafH -1226.4 kJ/mol
- -analytic -1.4249e1 -2.4645e-3 4.3110e3 -1.6605e-2 2.1598e5
-# Range 0-300
- -Vm 26.373 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref CWM89
-
-Ti
- Ti + 2 H2O + O2 = Ti(OH)4
- log_k 149.2978
-# deltafH 0 kJ/mol
- -Vm 10.631 # thermo.com.V8.R6+.tdat
-# Ref CWM89
-
-Ti2O3
- Ti2O3 + 4 H2O + 0.5 O2 = 2 Ti(OH)4
- log_k 42.9866
-# deltafH -1520.78 kJ/mol
- -Vm 32.02 # gfw/density
-# Ref WEP+82
-
-Ti3O5
- Ti3O5 + 6 H2O + 0.5 O2 = 3 Ti(OH)4
- log_k 34.6557
-# deltafH -2459.24 kJ/mol
- -Vm 48.93 # gfw/density
-# Ref WEP+82
-
-TiB2
- TiB2 + 5 H2O + 2.5 O2 = Ti(OH)4 + 2 B(OH)3
- log_k 312.4194
-# deltafH -323.883 kJ/mol
- -Vm 15.37 # gfw/density
-# Ref WEP+82
-
-TiC
- TiC + 3 H2O + 2 O2 = H+ + HCO3- + Ti(OH)4
- log_k 181.8139
-# deltafH -184.346 kJ/mol
- -Vm 12.15 # gfw/density
-# Ref WEP+82
-
-TiCl2
- TiCl2 + 3 H2O + 0.5 O2 = Ti(OH)4 + 2 Cl- + 2 H+
- log_k 70.9386
-# deltafH -514.012 kJ/mol
- -Vm 37.95 # gfw/density
-# Ref WEP+82
-
-TiCl3
- TiCl3 + 3.5 H2O + 0.25 O2 = Ti(OH)4 + 3 Cl- + 3 H+
- log_k 39.3099
-# deltafH -720.775 kJ/mol
- -Vm 58.42 # gfw/density
-# Ref WEP+82
-
-TiN
- TiN + 3.5 H2O + 0.25 O2 = NH3 + Ti(OH)4
- log_k 35.2344
-# deltafH -338.304 kJ/mol
- -Vm 11.46 # gfw/density
-# Ref WEP+82
-
-Titanite
- CaTiSiO5 + 2 H+ + H2O = Ca+2 + SiO2 + Ti(OH)4
- log_k 719.5839
-# deltafH 0 kcal/mol
- -Vm 55.65
-# Ref RHF79
-
-Tobermorite-11A
- Ca5Si6H11O22.5 + 10 H+ = 5 Ca+2 + 6 SiO2 + 10.5 H2O
- log_k 65.6121
- -delta_H -286.861 kJ/mol
-# deltafH -2556.42 kcal/mol
- -analytic 7.9123e1 3.9150e-2 2.9429e4 -3.9191e1 -2.4122e6
-# Range 0-300
- -Vm 286.81 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 82sar/bar
-
-Tremolite
- Ca2Mg5Si8O22(OH)2 + 14 H+ = 2 Ca+2 + 5 Mg+2 + 8 H2O + 8 SiO2
- log_k 61.2367
- -delta_H -406.404 kJ/mol
-# deltafH -2944.04 kcal/mol
- -analytic 8.5291e1 4.6337e-2 3.9465e4 -5.4414e1 -3.1913e6
-# Range 0-350
- -Vm 272.92
-# Extrapol supcrt92
-# Ref HDN+78
-
-Trevorite
- NiFe2O4 + 8 H+ = Ni+2 + 2 Fe+3 + 4 H2O
- log_k 9.7876
- -delta_H -215.338 kJ/mol
-# deltafH -1081.15 kJ/mol
- -analytic -1.4322e2 -2.9429e-2 1.4518e4 4.5698e1 2.4658e2
-# Range 0-200
- -Vm 44.89 # Webmineral.com
-# Extrapol Constant H approx
-# Ref RHF79
-
-Tridymite
- SiO2 = SiO2
- log_k -3.8278
- -delta_H 31.3664 kJ/mol
-# deltafH -909.065 kJ/mol
- -analytic 3.1594e2 6.9315e-2 -1.1358e4 -1.2219e2 -1.9299e2
-# Range 0-200
- -Vm 26.12 # Webmineral.com
-# Extrapol Constant H approx
-# Ref WEP+82
-
-Troilite
- FeS + H+ = Fe+2 + HS-
- log_k -3.8184
- -delta_H -7.3296 kJ/mol
-# deltafH -101.036 kJ/mol
- -analytic -1.6146e2 -5.3170e-2 4.0461e3 6.4620e1 6.3183e1
-# Range 0-300
- -Vm 19.07 # Webmineral.com
-# Extrapol Cp integration
-# Ref RHF79
-
-U
- U + 2 H+ + 1.5 O2 = H2O + UO2+2
- log_k 212.7800
- -delta_H -1286.64 kJ/mol
-# deltafH 0 kJ/mol
- -analytic -2.4912e2 -4.7104e-2 8.1115e4 8.7008e1 -1.0158e6
-# Range 0-300
- -Vm 12.49 # Webelements.com
-# Extrapol Cp integration
-# Ref CWM89
-
-U2O2Cl5
- U2O2Cl5 = U+4 + UO2+ + 5 Cl-
- log_k 19.2752
- -delta_H -254.325 kJ/mol
-# deltafH -2197.4 kJ/mol
- -analytic -4.3945e2 -1.6239e-1 2.1694e4 1.7551e2 3.3865e2
-# Range 0-300
- -Vm 142.48 # gfw/density
-# Extrapol Cp integration
-# Ref 92gre/fug
-
-U3S5
- U3S5 + 5 H+ = U+4 + 2 U+3 + 5 HS-
- log_k -0.3680
- -delta_H -218.942 kJ/mol
-# deltafH -1431 kJ/mol
- -analytic -1.1011e2 -6.7959e-2 1.0369e4 3.8481e1 1.7611e2
-# Range 0-200
- -Vm 106.12 # gfw/density
-# Extrapol Constant H approx
-# Ref 92gre/fug
-
-UC
- UC + 2 H+ + 1.75 O2 = 0.5 H2O + HCO3- + U+3
- log_k 194.8241
- -delta_H -1202.82 kJ/mol
-# deltafH -97.9 kJ/mol
- -analytic -4.6329e1 -4.4600e-2 6.1417e4 1.9566e1 9.5836e2
-# Range 0-300
- -Vm 18.34 # gfw/density
-# Extrapol Cp integration
-# Ref 92gre/fug
-
-UCl3
- UCl3 = U+3 + 3 Cl-
- log_k 13.0062
- -delta_H -126.639 kJ/mol
-# deltafH -863.7 kJ/mol
- -analytic -2.6388e2 -1.0241e-1 1.1629e4 1.0846e2 1.8155e2
-# Range 0-300
- -Vm 62.62 # gfw/density
-# Extrapol Cp integration
-# Ref 92gre/fug
-
-UCl4
- UCl4 = U+4 + 4 Cl-
- log_k 21.9769
- -delta_H -240.719 kJ/mol
-# deltafH -1018.8 kJ/mol
- -analytic -3.6881e2 -1.3618e-1 1.9685e4 1.4763e2 3.0727e2
-# Range 0-300
- -Vm 78.00 # gfw/density
-# Extrapol Cp integration
-# Ref 92gre/fug
-
-UCl6
- UCl6 + 2 H2O = UO2+2 + 4 H+ + 6 Cl-
- log_k 57.5888
- -delta_H -383.301 kJ/mol
-# deltafH -1066.5 kJ/mol
- -analytic -4.5589e2 -1.9203e-1 2.8029e4 1.9262e2 4.3750e2
-# Range 0-300
- -Vm 125.21 # gfw/density
-# Extrapol Cp integration
-# Ref 92gre/fug
-
-UH3(beta)
- UH3 + 3 H+ + 1.5 O2 = U+3 + 3 H2O
- log_k 199.7683
- -delta_H -1201.43 kJ/mol
-# deltafH -126.98 kJ/mol
- -analytic 5.2870e1 4.2151e-3 6.0167e4 -2.2701e1 1.0217e3
-# Range 0-200
- -Vm 22.01 # gfw/density
-# Extrapol Constant H approx
-# Ref 92gre/fug
-
-UN
- UN + 3 H+ = NH3 + U+3
- log_k 41.7130
- -delta_H -280.437 kJ/mol
-# deltafH -290 kJ/mol
- -analytic -1.6393e2 -1.1679e-3 2.8845e3 6.5637e1 3.0122e6
-# Range 0-300
- -Vm 45.85 # gfw/density
-# Extrapol Cp integration
-# Ref 92gre/fug
-
-UO2(NO3)2
- UO2(NO3)2 = UO2+2 + 2 NO3-
- log_k 11.9598
- -delta_H -81.6219 kJ/mol
-# deltafH -1351 kJ/mol
- -analytic -1.2216e1 -1.1261e-2 3.9895e3 5.7166 6.7751e1
-# Range 0-200
- -Vm 140.23 # gfw/density
-# Extrapol Constant H approx
-# Ref 92gre/fug
-
-UO2(NO3)2:6H2O
- UO2(NO3)2:6H2O = UO2+2 + 2 NO3- + 6 H2O
- log_k 2.3189
- -delta_H 19.8482 kJ/mol
-# deltafH -3167.5 kJ/mol
- -analytic -1.4019e2 -4.3682e-2 2.7842e3 5.9070e1 4.3486e1
-# Range 0-300
- -Vm 178.88 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 92gre/fug
-
-UO2(OH)2(beta)
- UO2(OH)2 + 2 H+ = UO2+2 + 2 H2O
- log_k 4.9457
- -delta_H -56.8767 kJ/mol
-# deltafH -1533.8 kJ/mol
- -analytic -1.7478e1 -1.6806e-3 3.4226e3 4.6260 5.3412e1
-# Range 0-300
- -Vm 51.31 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref 92gre/fug
-
-UO2SO4
- UO2SO4 = SO4-2 + UO2+2
- log_k 1.9681
- -delta_H -83.4616 kJ/mol
-# deltafH -1845.14 kJ/mol
- -analytic -1.5677e2 -6.5310e-2 6.7411e3 6.2867e1 1.0523e2
-# Range 0-300
- -Vm 111.61 # gfw/density
-# Extrapol Cp integration
-# Ref 92gre/fug
-
-UO2SO4:3H2O
- UO2SO4:3H2O = SO4-2 + UO2+2 + 3 H2O
- log_k -1.4028
- -delta_H -34.6176 kJ/mol
-# deltafH -2751.5 kJ/mol
- -analytic -5.0134e1 -1.0321e-2 3.0505e3 1.6799e1 5.1818e1
-# Range 0-200
- -Vm 108.34 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref 92gre/fug
-
-UO3(beta)
- UO3 + 2 H+ = H2O + UO2+2
- log_k 8.3095
- -delta_H -84.5383 kJ/mol
-# deltafH -1220.3 kJ/mol
- -analytic -1.2298e1 -1.7800e-3 4.5621e3 2.3593 7.1191e1
-# Range 0-300
- -Vm 34.46 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref 92gre/fug
-
-Uraninite
- UO2 + 4 H+ = U+4 + 2 H2O
- log_k -4.8372
- -delta_H -77.8767 kJ/mol
-# deltafH -1085 kJ/mol
- -analytic -7.5776e1 -1.0558e-2 5.9677e3 2.1853e1 9.3142e1
-# Range 0-325
- -Vm 24.638
-# Extrapol Cp integration
-# Ref CWM89, SSB97 match
-
-Vaesite
- NiS2 + H2O = 0.25 H+ + 0.25 SO4-2 + Ni+2 + 1.75 HS-
- log_k -26.7622
- -delta_H 110.443 kJ/mol
-# deltafH -32.067 kcal/mol
- -analytic 1.6172e1 -2.2673e-2 -8.2514e3 -3.4392 -1.4013e2
-# Range 0-200
- -Vm 27.697 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref 78vau/cra
-
-Wairakite
- CaAl2Si4O10(OH)4 + 8 H+ = Ca+2 + 2 Al+3 + 4 SiO2 + 6 H2O
- log_k 18.0762
- -delta_H -237.781 kJ/mol
-# deltafH -1579.33 kcal/mol
- -analytic -1.7914e1 3.2944e-3 2.2782e4 -9.0981 -1.6934e6
-# Range 0-350
- -Vm 186.87
-# Extrapol supcrt92
-# Ref HDN+78
-
-Wollastonite
- CaSiO3 + 2 H+ = Ca+2 + H2O + SiO2
- log_k 13.7605
- -delta_H -76.5756 kJ/mol
-# deltafH -389.59 kcal/mol
- -analytic 3.0931e1 6.7466e-3 5.1749e3 -1.3209e1 -3.4579e5
-# Range 0-350
- -Vm 39.93
-# Extrapol supcrt92
-# Ref HDN+78
-
-Wurtzite
- ZnS + H+ = HS- + Zn+2
- log_k -9.1406
- -delta_H 22.3426 kJ/mol
-# deltafH -45.85 kcal/mol
- -analytic -1.5446e2 -4.8874e-2 2.4551e3 6.1278e1 3.8355e1
-# Range 0-350
- -Vm 23.846
-# Extrapol supcrt92
-# Ref HDN+78
-
-Wustite
- Fe.947O + 2 H+ = 0.106 Fe+3 + 0.841 Fe+2 + H2O
- log_k 12.4113
- -delta_H -102.417 kJ/mol
-# deltafH -266.265 kJ/mol
- -analytic -7.6919e1 -1.8433e-2 7.3823e3 2.8312e1 1.1522e2
-# Range 0-300
- -Vm 12.04 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref WEP+82
-
-Xonotlite
- Ca6Si6O17(OH)2 + 12 H+ = 6 Ca+2 + 6 SiO2 + 7 H2O
- log_k 91.8267
- -delta_H -495.457 kJ/mol
-# deltafH -2397.25 kcal/mol
- -analytic 1.6080e3 3.7309e-1 -2.2548e4 -6.2716e2 -3.8346e2
-# Range 0-200
- -Vm 264.81 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref 82sar/bar
-
-Zincite
- ZnO + 2 H+ = H2O + Zn+2
- log_k 11.2087
- -delta_H -88.7638 kJ/mol
-# deltafH -350.46 kJ/mol
- -analytic -8.6681e1 -1.9324e-2 7.1034e3 3.2256e1 1.1087e2
-# Range 0-350
- -Vm 14.338
-# Extrapol supcrt92, Cp integration
-# Ref SSW+97, CWM89 match
-
-Zn
- Zn + 2 H+ + 0.5 O2 = H2O + Zn+2
- log_k 68.8035
- -delta_H -433.157 kJ/mol
-# deltafH 0 kJ/mol
- -analytic -6.4131e1 -2.0009e-2 2.3921e4 2.3702e1 3.7329e2
-# Range 0-300
- -Vm 9.162 # thermo.com.V8.R6+.tdat
-# Extrapol Cp integration
-# Ref CWM89
-
-Zn(NO3)2:6H2O
- Zn(NO3)2:6H2O = Zn+2 + 2 NO3- + 6 H2O
- log_k 3.4102
- -delta_H 24.7577 kJ/mol
-# deltafH -2306.8 kJ/mol
- -analytic -1.7152e2 -1.6875e-2 5.6291e3 6.5094e1 9.5649e1
-# Range 0-200
- -Vm 144.06 # gfw/density
-# Extrapol Constant H approx
-# Ref WEP+82
-
-Zn(OH)2(beta)
- Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
- log_k 11.9341
- -delta_H -83.2111 kJ/mol
-# deltafH -641.851 kJ/mol
- -analytic -7.7810e1 -7.8548e-3 7.1994e3 2.7455e1 1.2228e2
-# Range 0-200
- -Vm 32.60 # gfw/density
-# Extrapol Constant H approx
-# Ref WEP+82
-
-Zn(OH)2(epsilon)
- Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
- log_k 11.6625
- -delta_H -81.7811 kJ/mol
-# deltafH -643.281 kJ/mol
- -analytic -7.7938e1 -7.8767e-3 7.1282e3 2.7496e1 1.2107e2
-# Range 0-200
- -Vm 32.60 # gfw/density
-# Extrapol Constant H approx
-# Ref WEP+82
-
-Zn2SiO4
- Zn2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Zn+2
- log_k 13.8695
- -delta_H -119.399 kJ/mol
-# deltafH -1636.75 kJ/mol
- -analytic 2.0970e2 5.3663e-2 -1.2724e2 -8.5445e1 -2.2336
-# Range 0-200
- -Vm 55.03 # Webmineral.com
-# Extrapol Constant H approx
-# Ref WEP+82
-
-ZnCl2
- ZnCl2 = Zn+2 + 2 Cl-
- log_k 7.0880
- -delta_H -72.4548 kJ/mol
-# deltafH -415.09 kJ/mol
- -analytic -1.6157e1 -2.5405e-2 2.6505e3 8.8584 4.5015e1
-# Range 0-200
- -Vm 46.84 # gfw/density
-# Extrapol Constant H approx
-# Ref WEP+82
-
-ZnCr2O4
- ZnCr2O4 + 8 H+ = Zn+2 + 2 Cr+3 + 4 H2O
- log_k 7.9161
- -delta_H -221.953 kJ/mol
-# deltafH -370.88 kcal/mol
- -analytic -1.7603e2 -1.0217e-2 1.7414e4 5.1966e1 2.9577e2
-# Range 0-200
- -Vm 44.03 # thermo.com.V8.R6+.tdat
-# Extrapol Constant H approx
-# Ref 76del/hal
-
-ZnSO4
- ZnSO4 = SO4-2 + Zn+2
- log_k 3.5452
- -delta_H -80.132 kJ/mol
-# deltafH -982.855 kJ/mol
- -analytic 6.9905 -1.8046e-2 2.2566e3 -2.2819 3.8318e1
-# Range 0-200
- -Vm 45.61 # gfw/density
-# Extrapol Constant H approx
-# Ref WEP+82
-
-ZnSO4:6H2O
- ZnSO4:6H2O = SO4-2 + Zn+2 + 6 H2O
- log_k -1.6846
- -delta_H -0.412008 kJ/mol
-# deltafH -2777.61 kJ/mol
- -analytic -1.4506e2 -1.8736e-2 5.2179e3 5.3121e1 8.8657e1
-# Range 0-200
- -Vm 130.08 # gfw/density
-# Extrapol Constant H approx
-# Ref WEP+82
-
-Zoisite
- Ca2Al3(SiO4)3OH + 13 H+ = 2 Ca+2 + 3 Al+3 + 3 SiO2 + 7 H2O
- log_k 43.3017
- -delta_H -458.131 kJ/mol
-# deltafH -1643.69 kcal/mol
- -analytic 2.5321 -3.5886e-2 1.9902e4 -6.2443 3.1055e2
-# Range 0-350
- -Vm 135.9
-# Extrapol supcrt92
-# Ref HDN+78 differ by 2.5 log K at 0C, 0.6 log K at 350C
-
-#----------
-# 15 gases
-#----------
-
-C2H4(g)
- C2H4 = C2H4
- log_k -2.323631
- -delta_H -3.930 kcal/mol
- -analytic -14.5616 0.0176 2192.2 0 0 -3.8657e-6
-# Range 0-350
- -T_c 283 # K
- -P_c 50.53
- -Omega 0.085 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
-# Extrapol supcrt92
-# Ref Sho93
-
-C2H6(g)
- C2H6 = C2H6
- log_k -2.93276
- -delta_H -4.509 kcal/mol
- -analytic -23.1154 0.0354 3289.1 0 0 -1.5637e-5
-# Range 0-350
- -T_c 305 # K
- -P_c 48.16
- -Omega 0.100 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
-# Extrapol supcrt92
-# Ref HOK+98
-
-C3H8(g)
- C3H8 = C3H8
- log_k -2.876
- -analytic 1.885 -2.55e-2 0 0 0 3.20e-5 # Not the best
-# Range 0-350
- -T_c 369.522 # K
- -P_c 42.4924
- -Omega 0.152 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
-# Extrapol supcrt92
-# Ref HOK+98
-
-CH4(g)
- CH4 = CH4
- log_k -2.8502
- -delta_H -13.0959 kJ/mol
-# deltafH -17.88 kcal/mol
- -analytic -24.027 4.7146e-3 372.27 6.4264 2.3362e5
-# Range 0-350
- -T_c 190.6 # K
- -P_c 45.40
- -Omega 0.008 # phreeqc.dat
-# Extrapol supcrt92
-# Ref WEP+82, Kel60
-
-CO(g)
- CO = CO
- log_k -3.0068
- -delta_H -10.4349 kJ/mol
-# deltafH -26.416 kcal/mol
- -analytic -8.0849 9.2114e-3 0 0 2.0813e5
-# Range 0-350
- -T_c 133 # K
- -P_c 34.54
- -Omega 0.049 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
-# Extrapol supcrt92
-# Ref Sho93
-
-CO2(g)
- CO2 + H2O = H+ + HCO3-
- log_k -7.8136
- -delta_H -10.5855 kJ/mol
-# deltafH -94.051 kcal/mol
- -analytic -8.5938e1 -3.0431e-2 2.0702e3 3.2427e1 3.2328e1
-# Range 0-350
- -T_c 304.25 # K
- -P_c 72.83 # atm, 7.38 MPa, http://webbook.nist.gov/cgi/cbook.cgi?ID=C124389&Units=SI&Mask=4#Thermo-Phase
- -Omega 0.225 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
-# Extrapol supcrt92
-# Ref WEP+82, Kel60
-
-H2(g)
- H2 = H2
- log_k -3.1050
- -delta_H -4.184 kJ/mol
-# deltafH 0 kcal/mol
- -analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5
-# Range 0-350
- -T_c 33.2 # K
- -P_c 12.80
- -Omega 0.225 # phreeqc.dat
-# Extrapol supcrt92
-# Ref WEP+82, Kel60
-
-H2O(g)
- H2O = H2O
- log_k 1.5854
- -delta_H -43.4383 kJ/mol
-# deltafH -57.935 kcal/mol
- -analytic -1.4782e1 1.0752e-3 2.7519e3 2.7548 4.2945e1
-# Range 0-350
- -T_c 647.3 # K
- -P_c 218.31
- -Omega 0.344 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
-# Extrapol supcrt92
-# Ref Joh90
-
-H2S(g)
- H2S = H+ + HS-
- log_k -7.9759
- -delta_H 4.5229 kJ/mol
-# deltafH -4.931 kcal/mol
- -analytic -97.354 -3.1576e-2 1.8285e3 37.44 28.56
-# Range 0-350
- -T_c 373.2 # K
- -P_c 88.20
- -Omega 0.1
-# Extrapol supcrt92
-# Ref WEP+82, Kel60
-
-N2(g)
- N2 = N2
- log_k -3.1864
- -delta_H -10.4391 kJ/mol
-# deltafH 0 kcal/mol
- -analytic -58.453 1.818e-3 3199 17.909 -27460 # phreeqc.dat
-# Range 0-350
- -T_c 126.2 # K
- -P_c 33.50
- -Omega 0.039
-# Extrapol supcrt92
-# Ref WEP+82, Kel60
-
-NH3(g)
- NH3 = NH3
- log_k 1.7966
- -delta_H -35.2251 kJ/mol
-# deltafH -11.021 kcal/mol
- -analytic -18.758 3.3670e-4 2.5113e3 4.8619 39.192
-# Range 0-350
- -T_c 405.6 # K
- -P_c 111.3
- -Omega 0.25
-# Extrapol supcrt92
-# Ref WEP+82, Kel60
-
-NO(g)
- NO + 0.5 H2O + 0.25 O2 = H+ + NO2-
- log_k 0.7554
- -delta_H -48.8884 kJ/mol
-# deltafH 90.241 kJ/mol
- -analytic 8.2147 -1.2708e-1 -6.0593e3 2.0504e1 -9.4551e1
-# Range 0-300
- -T_c 180 # K
- -P_c 64.64
- -Omega 0.607 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
-# Extrapol supcrt92, Cp integration
-# Ref AS01, WEP+82 differ by 0.2 log K at 0C, 17 log K at 350C !! flag
-
-NO2(g)
- NO2 + 0.5 H2O + 0.25 O2 = H+ + NO3-
- log_k 8.3673
- -delta_H -94.0124 kJ/mol
-# deltafH 33.154 kJ/mol
- -analytic 9.4389e1 -2.7511e-1 -1.6783e4 2.1127e1 -2.6191e2
-# Range 0-300
- -T_c 431 # K
- -P_c 99.67
- -Omega 0 # Not found
-# Extrapol Cp integration
-# Ref WEP+82
-
-O2(g)
- O2 = O2
- log_k -2.8983
- -delta_H -12.1336 kJ/mol
-# deltafH 0 kcal/mol
- -analytic -7.5001 7.8981e-3 0.0 0.0 2.0027e5
-# Range 0-300
- -T_c 154.6 # K phreeqc.dat
- -P_c 49.80 # phreeqc.dat
- -Omega 0.021 # phreeqc.dat
-# Extrapol supcrt92
-# Ref WEP+82, Kel60
-
-SO2(g)
- SO2 = SO2
- log_k 0.1700
- -delta_H 0
-# deltafH 0 kcal/mol
- -analytic -2.0205e1 2.8861e-3 1.4862e3 5.2958 1.2721e5
-# Range 0-300
- -T_c 430 # K
- -P_c 77.67
- -Omega 0.251 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
-# Extrapol supcrt92
-# Ref WEP+82, Kel60
\ No newline at end of file
diff --git a/Tests/Data/PhreeqcDatabase/core10.dat b/Tests/Data/PhreeqcDatabase/core10.dat
new file mode 120000
index 00000000000..800934dc21a
--- /dev/null
+++ b/Tests/Data/PhreeqcDatabase/core10.dat
@@ -0,0 +1 @@
+../../../ThirdParty/iphreeqc/src/database/core10.dat
\ No newline at end of file
diff --git a/Tests/Data/PhreeqcDatabase/frezchem.dat b/Tests/Data/PhreeqcDatabase/frezchem.dat
deleted file mode 100644
index 86af274eab9..00000000000
--- a/Tests/Data/PhreeqcDatabase/frezchem.dat
+++ /dev/null
@@ -1,634 +0,0 @@
-PITZER
--MacInnes false
--use_etheta true
--redox false
-
-SOLUTION_MASTER_SPECIES
-H H+ -1. H 1.008
-H(1) H+ -1. 0.0
-E e- 0.0 0.0 0.0
-O H2O 0.0 O 15.999
-O(-2) H2O 0.0 0.0
-Ca Ca+2 0.0 Ca 40.08
-Mg Mg+2 0.0 Mg 24.31
-Na Na+ 0.0 Na 22.99
-K K+ 0.0 K 39.1
-Cl Cl- 0.0 Cl 35.45
-C CO3-2 2.0 HCO3 12.015
-C(4) CO3-2 2.0 HCO3 12.015
-Alkalinity CO3-2 1.0 Ca0.5(CO3)0.5 50.046
-S SO4-2 0.0 SO4 32.064
-S(6) SO4-2 0.0 SO4
-
-SOLUTION_SPECIES
-H+ = H+
- -dw 9.31e-9
-
-e- = e-
-
-H2O = H2O
-
-Ca+2 = Ca+2
- -dw 0.793e-9
- -Vm -0.3456 -7.252 6.149 -2.479 1.239 5 1.60 -57.1 -6.12e-3 1 # ref. 1
-
-Mg+2 = Mg+2
- -dw 0.705e-9
- -Vm -1.410 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1 # ref. 1
-
-Na+ = Na+
- -dw 1.33e-9
- -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.566 # ref. 1
- # for calculating densities (rho) when I > 3...
- # -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.45
-
-K+ = K+
- -dw 1.96e-9
- -Vm 3.322 -1.473 6.534 -2.712 9.06e-2 3.5 0 29.70 0 1 # ref. 1
-
-Cl- = Cl-
- -dw 2.03e-9
- -Vm 4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1 # ref. 1
-
-CO3-2 = CO3-2
- -dw 0.955e-9
- -Vm 4.91 0 0 -5.41 4.76 0 0.386 89.7 -1.57e-2 1 # ref. 1
-
-SO4-2 = SO4-2
- -dw 1.07e-9
- -Vm -7.77 43.17 141.1 -42.45 3.794 0 4.97 26.5 -5.77e-2 0.45 # ref. 1
-
-H2O = OH- + H+
- -analytic -1896.830553 -1.15387159 41390.2015 825.37519 -949444.6 0.000634273
- -dw 5.27e-9
- -Vm -9.66 28.5 80.0 -22.9 1.89 0 1.09 0 0 1 # ref. 1
-
-CO3-2 + H+ = HCO3-
- -analytic 107.887088 0.03252849 -5151.7879 -38.92561 563713.8 0
- -dw 1.18e-9
- -Vm 8.54 0 -11.7 0 1.6 0 0 116 0 1 # ref. 1
-
-CO3-2 + 2 H+ = CO2 + H2O
- -analytic 464.196482 0.09344813 -26986.1558 -165.75951 2248628.7 0
- -dw 1.92e-9
- -Vm 20.85 -46.93 -79.0 27.9 -0.193 # ref. 1
-
-Ca+2 + CO3-2 = CaCO3
- -analytic 1228.805836 0.29943997 -35512.7505 -485.818 0 0
- # -dw 4.46e-10 # complexes: calc'd with the Pikal formula
- # -Vm -.2430 -8.3748 9.0417 -2.4328 -.0300 # supcrt
-
-Mg+2 + H2O = MgOH+ + H+
- -analytic -0.506735 0 -3369.8212 0 0 0
-
-Mg+2 + CO3-2 = MgCO3
- -analytic -32.225085 0 1093.4862 12.72433 0 0
- -dw 4.21e-10
- -Vm -.5837 -9.2067 9.3687 -2.3984 -.0300 # supcrt
-
-PHASES
-Anhydrite
- CaSO4 = Ca+2 + SO4-2
- -analytic -2035.568365 -1.38413871 45210.0023 901.547204 -1037066.3 0.000823464
- Vm 45.94
-
-Antarcticite
- CaCl2:6H2O = Ca+2 + 2Cl- + 6H2O
- -analytic -38613.99886 -14.14140164 1381731.005 15479.47256 -52024247.5 0.005422163
- Vm 128.12
-
-Aphthitalite
- Na2SO4:3K2SO4 = 2Na+ + 6K+ + 4SO4-2
- -analytic -26.960941 0.06631698 0 0 0 0
- Vm 246.24
-
-Aragonite
- CaCO3 = CO3-2 + Ca+2
- -analytic -171.977314 -0.07799321 2903.2929 71.595 0 0
- Vm 34.15
-
-Arcanite
- K2SO4 = + 1.0000 SO4-- + 2.0000 K+
- -analytic 2.822914 0 -1371.198 0 0 0
- Vm 65.50
-
-Bischofite
- MgCl2:6H2O = Mg+2 + 2Cl- + 6H2O
- -analytic 326.68721 0.05106637 -10563.0802 -121.990076 0 0
- Vm 129.57
-
-Bloedite
- Na2Mg(SO4)2:4H2O = + Mg+2 + 2Na+ + 2SO4-2 + 4H2O
- -analytic -3.436181 0.00357 0 0 0 0
- Vm 149.98
-
-Calcite
- CaCO3 = CO3-2 + Ca+2
- -analytic -171.906481 -0.07799321 2839.3192 71.595 0 0
- Vm 36.93
-
-Carnallite
- KMgCl3:6H2O = K+ + Mg++ + 3Cl- + 6H2O
- -analytic -474.012921 -0.28178438 8424.3363 213.374612 -235565.9 9.81779E-05
- Vm 172.58
-Dolomite
- CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2
- -analytic -23.999547 0 2062.2473 0 0 0
- Vm 64.34
-
-Epsomite
- MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O
- -analytical 1.718069 0 -1073.1417 0 0 0
- Vm 146.71
-
-Gypsum
- CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O
- -analytic -2136.655631 -1.43513531 47367.1982 944.564423 -1086550.1 0.000855338
- Vm 74.69
-
-Halite
- NaCl = Cl- + Na+
- -analytic 596.809454 0.73058662 9360.9197 -315.516708 -1749318.4 -0.000495535
- Vm 27.02
-
-Hexahydrite
- MgSO4:6H2O = Mg+2 + SO4-2 + 6 H2O
- -analytic -2.513523 0.00297531 0 0 0 0
- Vm 132.58
-
-Hydrohalite
- NaCl:2H2O = Na+ + Cl- + 2H2O
- -analytic -2366.884053 -1.81627952 24690.3183 1098.482092 1523945.4 0.001033303
- Vm 57.96
-
-Hydromagnesite
- (MgCO3)3:Mg(OH)2:3H2O = 4Mg+2 + 3CO3-2 + 2OH- + 3H2O
- -analytic -55.503269 0 5585.4613 0 0 0
- Vm 169.13
-
-Ikaite
- CaCO3:6H2O = Ca+2 + CO3-2 + 6H2O
- -analytic 0.159812 0 -2011.1005 0 0 0
- Vm 117.54
-
-Kalicinite
- KHCO3 = K+ + HCO3-
- -analytic -2.823001 0.00565068 0 0 0 1.49489E-05
- Vm 46.14
-
-Kieserite
- MgSO4:H2O = Mg+2 + SO4-2 + H2O
- -analytic 56.731193 -0.36657234 0 0 0 0.000588992
- Vm 56.60
-
-Landsfordite
- MgCO3:5H2O = Mg+2 + CO3-2 + 5H2O
- -analytic 34372.12012 24.21262132 -766987.6164 -15294.74182 17593834.6 -0.015476732
- Vm 100.80
-
-Magnesite
- MgCO3 = CO3-2 + Mg+2
- -analytic -12.551979 0 1348.1804 0 0 0
- Vm 28.02
-
-Meridianite
- MgSO4:11H2O = Mg+2 + SO4-2 + 11H2O
- -analytic -13.417432 0.04061372 0 0 0 0
- Vm 207.44
-
-MgCl2:8H2O
- MgCl2:8H2O = Mg+2 + 2Cl- + 8H2O
- -analytic 989.331411 0.28201417 -27059.8088 -395.438891 0 0
- Vm 159.08
-
-MgCl2:12H2O
- MgCl2:12H2O = Mg+2 + 2Cl- + 12H2O
- -analytic 6251.417981 18.27412717 610125.588 -4799.728491 -54142200.5 -0.014127812
- Vm 218.10
-
-Mirabilite
- Na2SO4:10H2O = SO4-2 + 2Na+ + 10H2O
- -analytic -20.12422 0.07613508 0 0 0 -4.26568E-05
- Vm 219.80
-
-Na2CO3:7H2O
- Na2CO3:7H2O = 2Na+ + CO3-2 + 7H2O
- -analytic -7.848843 0.02485766 0 0 0 0
- Vm 153.71
-
-Nahcolite
- NaHCO3 = HCO3- + Na+
- -analytic 5733.307217 4.09729508 -128132.8263 -2555.137922 2939222.2 -0.002655951
- Vm 38.91
-
-Natron
- Na2CO3:10H2O = CO3-2 + 2 Na+ + 10H2O
- -analytic -3.414245 -0.02520158 0 0 0 0.000113891
- Vm 198.71
-
-Nesquehonite
- MgCO3:3H2O = CO3-2 + Mg+2 + 3H2O
- -analytic 25.395192 -0.20362652 0 0 0 0.000337509
- Vm 74.79
-
-Picromerite
- MgSO4:K2SO4:6H2O = Mg+2 + 2SO4-2 + 2K+ + 6H2O
- -analytic -37.615383 0.20453793 0 0 0 -0.000312121
- Vm 191.78
-
-Sylvite
- KCl = K+ + Cl-
- -analytic -114.93339 -0.1612449 -3569.5943 66.15685 307041.4 9.81432E-05
- Vm 37.52
-
-Tachyhydrite
- CaCl2:(MgCl2)2:12H2O = Ca+2 + 6Cl- + 2Mg+2 + 12H2O
- -analytic 34.907631 -0.06028307 0 0 0 0
- Vm 311.81
-
-Thenardite
- Na2SO4 = 2Na+ + SO4-2
- -analytic -0.53789 0.0008381 0 0 0 0
- Vm 53.33
-
-Trona
- Na3H(CO3)2:2H2O = 3Na+ + HCO3- + CO3-2 + 2H2O
- -analytic -4.337187 0.01113429 0 0 0 0
- Vm 107.02
-
-Vaterite
- CaCO3 = Ca+2 + CO3-2
- -analytic -172.129491 -0.07799321 3074.6881 71.595 0 0
- Vm 37.72
-
-Ice(s)
- H2O = H2O
- -analytic -485.2923 -0.2382738 13615.59 203.8087 -365935.2 0.000118951
- Vm 19.65
-
-CO2(g)
- CO2 = CO2
- -analytic 108.386483 0.01985076 -6919.5315 -40.45154 669365.1 0
- -T_c 304.2 # critical T, K
- -P_c 72.80 # critical P, atm
- -Omega 0.225 # acentric factor
-
-PITZER
--B0
-Ca+2 Cl- 0.304058 1265.271 11.94793 -0.03558926 1.64514E-05 -3394.2
-Ca+2 HCO3- 0.182545 -576520.518 -5661.1237 18.447305 -0.009989 0
-Ca+2 OH- -0.1747 0 0 0 0 0
-Ca+2 SO4-2 0.115384 145.327 2.57051 -0.01120842 1.68444E-05 -6826.8
-H+ Cl- 0.197946 0 0 -0.00053053 0 0
-H+ SO4-2 0.0298 0 0 0 0 0
-K+ Cl- 0.048342 -758.497 -4.69717 0.01003107 -3.7342E-06 64
-K+ CO3-2 0.1288 0 0 0.0011 0 0
-K+ HCO3- -0.010702 -0.001 0 0.001 0 0
-K+ OH- 0.1298 0 0 0 0 0
-K+ SO4-2 0.003795 22.492 0.2029 0.00165088 9.746E-07 -540.7
-Mg+2 Cl- 0.351542 -392.241 -17.65506 0.0703283 -4.17563E-05 -117885
-Mg+2 HCO3- -0.009313 -273406.172 -2607.1152 8.25084 -0.00434 0
-Mg+2 SO4-2 0.126545 470.866 6.08307 -0.03139609 2.82462E-05 -15937.6
-MgOH+ Cl- -0.1 0 0 0 0 0
-Na+ Cl- 0.076276 -886.777 -4.19728 0.00613645 -1.1006E-06 8942.9
-Na+ CO3-2 0.036205 1108.376 11.19856 -0.02330165 0 0
-Na+ HCO3- 0.028002 682.886 6.89959 -0.01445932 0 0
-Na+ OH- -0.079596 13870.605 120.12506 -0.40580835 0.000231103 -318176
-Na+ SO4-2 0.038071 -26.946 -0.36262 0.00595978 -1.6429E-06 945
-
--B1
-Ca+2 Cl- 1.708132 0 0 -0.015417 0.000031791 0
-Ca+2 HCO3- 0.300039 26492.24 183.13156 -0.37258767 0.000089691 0
-Ca+2 OH- -0.2303 0 0 0 0 0
-Ca+2 SO4-2 3.56045 -6591.464 -37.68237 0.17530628 -0.000174047 103372
-H+ Cl- 0.176822 -30287.948 -205.82977 0.59473772 -0.000307166 793994.6
-K+ Cl- 0.210434 -14898.951 -173.19076 0.55331238 -0.000283943 -412199.8
-K+ CO3-2 1.432996 0.001 0 0.00436 0 0
-K+ HCO3- 0.0478 0.001 0.00001 0.00109999 0 0
-K+ OH- 0.32 0 0 0 0 0
-K+ SO4-2 1.052416 767.611 6.36874 -0.03159629 2.98397E-05 -16995.7
-Mg+2 Cl- 1.821364 -65485.608 1302.23382 -6.71036992 0.004429219 13522889.4
-Mg+2 HCO3- 0.804725 3203209.695 29927.1515 -92.77793541 0.0477642 0
-Mg+2 SO4-2 3.491512 2603.294 34.29203 -0.13991327 0.000161578 -90018.9
-MgOH+ Cl- 1.658 0 0 0 0 0
-Na+ Cl- 0.280431 -8677.858 -94.69966 0.2944375 -0.000147476 -191956
-Na+ CO3-2 1.512069 4412.512 44.58207 -0.09989121 0 0
-Na+ HCO3- 0.044005 1129.389 11.41086 -0.02446734 0 0
-Na+ OH- 0.253083 10166.406 88.04521 -0.30719174 0.000185849 -233205.9
-Na+ SO4-2 1.035408 -106.397 -1.89717 0.01819155 -8.1292E-06 4580.4
-
--B2
-Ca+2 OH- -5.72 0 0 0 0 0
-Ca+2 SO4-2 -61.685514 21440.768 133.72156 -0.59337506 0.000399407 -359056.7
-Mg+2 SO4-2 -6.243985 245008.193 1276.67549 -6.82364722 0.007402746 -3561447.4
-
--C0
-Ca+2 Cl- -0.00199 125.363 -0.64691 0.00444735 -3.2027E-06 -12466.4
-Ca+2 SO4-2 0.039751 70.752 0.59046 -0.00274756 3.6688E-06 -1597.7
-H+ Cl- -0.002891 0 0 0.00001735 -5.94E-08 0
-H+ SO4-2 0.0438 0 0 0 0 0
-K+ Cl- -0.000839 91.27 0.58481 -0.00129068 4.911E-07 -11.4
-K+ CO3-2 0.0005 0 0 0 0 0
-K+ OH- 0.0041 0 0 0 0 0
-K+ SO4-2 0.014845 6.792 0.12817 -0.00049111 5.849E-07 -332
-Mg+2 Cl- 0.006507 0 0 -0.00024995 2.418E-07 0
-Mg+2 SO4-2 0.05291 -6.004 -0.43928 0.00120236 -1.9372E-06 1116.1
-Na+ Cl- 0.001271 52.6 0.07951 0.00031974 -3.195E-07 -1237.7
-Na+ CO3-2 0.0052 0 0 0 0 0
-Na+ OH- 0.004116 500.658 4.3359 -0.01615845 1.05123E-05 -11484.5
-Na+ SO4-2 -0.002331 -0.711 -0.04568 -0.00053454 -2.014E-07 116.1
-
--LAMDA
-Ca+2 CO2 0.164379 245541.544 2452.50972 -8.101555 0.00442472 0
-Cl- CO2 0.02048 -33159.618 -315.82788 0.9964326 -0.00052122 0
-K+ CO2 0.044942 -55954.193 -546.07447 1.7670079 -0.0009487 0
-Mg+2 CO2 0.144733 3589.474 104.34527 -0.541843 0.00038812 0
-Na+ CO2 0.081474 109399.341 1047.02157 -3.326566 0.0017532 0
-SO4-2 CO2 0.138973 -33927.762 -457.01574 1.8270948 -0.00114272 0
-
--PSI
-Ca+2 H+ Cl- -0.0142 0 0 0 0 0
-Ca+2 Mg+2 Cl- -0.02381 -981.659 -7.4062 0.01303773 0 0
-Ca+2 Mg+2 SO4-2 0.024 0 0 0 0 0
-Cl- CO3-2 K+ 0.004 0 0 0 0 0
-Cl- CO3-2 Na+ 0.008656 -6.96 -0.08625 0.00037348 -4.315E-07 227.1
-Cl- HCO3- Mg+2 -0.096 0 0 0 0 0
-Cl- HCO3- Na+ -0.012777 -6.334 -0.10633 0.00042061 -5.501E-07 279
-Cl- OH- Ca+2 -0.025 0 0 0 0 0
-Cl- OH- K+ -0.006 0 0 0 0 0
-Cl- OH- Na+ -0.006 0 0 0 0 0
-Cl- SO4-2 Ca+2 -0.054444 -27.382 -0.49859 0.00202214 -2.5738E-06 1303.4
-Cl- SO4-2 K+ -0.003829 -9.341 -0.12911 0.00036001 -6.009E-07 334
-Cl- SO4-2 Mg+2 -0.01833 -21.244 0.02933 -0.00019719 1.618E-07 -66.2
-Cl- SO4-2 Na+ -0.001451 12.605 0.1146 -0.00056411 0.000000528 -309.6
-HCO3- CO3-2 K+ 0.012 0 0 0 0 0
-HCO3- CO3-2 Na+ 0.002 0 0 0 0 0
-K+ Ca+2 Cl- -0.028561 -13.439 0 0.00025428 0 0
-K+ Ca+2 SO4-2 -0.028561 -13.439 0 0.00025428 0 0
-K+ H+ Cl- -0.0114 0 0 0 0 0
-K+ H+ SO4-2 0.130006 0 0 0.005456 0 0
-K+ Mg+2 Cl- -0.049483 -28.991 0 -0.00000875 0 0
-K+ Mg+2 SO4-2 -0.124362 -8.156 -0.36908 0.00150172 -1.9823E-06 954.2
-Mg+2 H+ Cl- -0.0077 0 0 0 0 0
-Mg+2 MgOH+ Cl- 0.028 0 0 0 0 0
-Na+ Ca+2 Cl- -0.003297 0 1.8475 -0.01299 0.00001106 0
-Na+ Ca+2 SO4-2 -0.073409 -7353.945 -53.26546 0.23794424 -0.00024367 143653.4
-Na+ H+ Cl- -0.004 0 0 0 0 0
-Na+ K+ Cl- -0.002539 -204.354 -1.09448 0.00146803 0 0
-Na+ K+ CO3-2 0.003 0 0 0 0 0
-Na+ K+ HCO3- -0.0079 0 0 0 0 0
-Na+ K+ SO4-2 0.003969 -1192.758 -7.92204 0.03628726 -3.72313E-05 21474.2
-Na+ Mg+2 Cl- -0.008172 1.994 0 0.00005446 0 0
-Na+ Mg+2 SO4-2 -0.009911 -36.718 -0.15613 0.00124948 -1.3145E-06 447
-OH- CO3-2 Na+ -0.017 0 0 0 0 0
-SO4-2 CO3-2 K+ -0.009 0 0 0 0 0
-SO4-2 CO3-2 Na+ 0.004501 9.126 0.24028 -0.00098138 1.2522E-06 -627.3
-SO4-2 HCO3- Mg+2 -0.161 0 0 0 0 0
-SO4-2 HCO3- Na+ -0.005 0 0 0 0 0
-SO4-2 OH- K+ -0.05 0 0 0 0 0
-SO4-2 OH- Na+ -0.009 0 0 0 0 0
-OH- CO3-2 K+ -0.01 0 0 0 0 0
-
--THETA
-Ca+2 H+ 0.092 0 0 0 0 0
-Ca+2 Mg+2 0.124367 -983.114 0 -0.00634242 0 0
-Cl- CO3-2 -0.02 0 0 0 0 0
-Cl- HCO3- 0.03 0 0 0 0 0
-Cl- OH- -0.05 0 0 0 0 0
-Cl- SO4-2 0.045973 -35.626 -0.29988 0.00128989 -0.000001378 794.3
-HCO3- CO3-2 -0.04 0 0 0 0 0
-K+ Ca+2 0.056416 -284.94 0 -0.00454 0 0
-K+ H+ 0.005 0 0 0 0 0
-K+ Mg+2 0.1167 0 0 0 0 0
-Mg+2 H+ 0.1 0 0 0 0 0
-Na+ Ca+2 0.048535 39.673 0.36653 -0.00159002 1.6783E-06 -967.4
-Na+ H+ 0.036 0 0 0 0 0
-Na+ K+ -0.00948 612.415 3.02995 -0.00369038 0 0
-Na+ Mg+2 0.07 0 0 0 0 0
-OH- CO3-2 0.1 0 0 0 0 0
-SO4-2 CO3-2 0.02 0 0 0 0 0
-SO4-2 HCO3- 0.01 0 0 0 0 0
-SO4-2 OH- -0.013 0 0 0 0 0
-
--ZETA
-Ca+2 Cl- CO2 -0.014131 5256.844 27.37745 -0.018002 -2.47349E-05 0
-H+ Cl- CO2 -0.004705 16334.389 152.38388 -0.470474 0.000240526 0
-K+ Cl- CO2 -0.01207 6853.264 73.79977 -0.257891 0.000147333 0
-K+ SO4-2 CO2 -0.000358 30756.867 611.37561 -2.860763 0.001951086 0
-Mg+2 Cl- CO2 -0.009847 27726.81 253.62319 -0.772286 0.000391603 0
-Mg+2 SO4-2 CO2 -0.041586 143162.608 1412.3029 -4.608331 0.002489207 0
-Na+ Cl- CO2 -0.000572 6879.031 73.74512 -0.258005 0.000147823 0
-Na+ SO4-2 CO2 -0.037454 -1399082.37 -12630.27457 37.930519 -0.0189473 0
-
-
-EXCHANGE_MASTER_SPECIES
- X X-
-EXCHANGE_SPECIES
- X- = X-
- log_k 0.0
-
- Na+ + X- = NaX
- log_k 0.0
-
- K+ + X- = KX
- log_k 0.7
- delta_h -4.3 # Jardine & Sparks, 1984
-
- Ca+2 + 2X- = CaX2
- log_k 0.8
- delta_h 7.2 # Van Bladel & Gheyl, 1980
-
- Mg+2 + 2X- = MgX2
- log_k 0.6
- delta_h 7.4 # Laudelout et al., 1968
-
-SURFACE_MASTER_SPECIES
- Hfo_s Hfo_sOH
- Hfo_w Hfo_wOH
-SURFACE_SPECIES
-# All surface data from
-# Dzombak and Morel, 1990
-#
-#
-# Acid-base data from table 5.7
-#
-# strong binding site--Hfo_s,
-
- Hfo_sOH = Hfo_sOH
- log_k 0.0
-
- Hfo_sOH + H+ = Hfo_sOH2+
- log_k 7.29 # = pKa1,int
-
- Hfo_sOH = Hfo_sO- + H+
- log_k -8.93 # = -pKa2,int
-
-# weak binding site--Hfo_w
-
- Hfo_wOH = Hfo_wOH
- log_k 0.0
-
- Hfo_wOH + H+ = Hfo_wOH2+
- log_k 7.29 # = pKa1,int
-
- Hfo_wOH = Hfo_wO- + H+
- log_k -8.93 # = -pKa2,int
-
-###############################################
-# CATIONS #
-###############################################
-#
-# Cations from table 10.1 or 10.5
-#
-# Calcium
- Hfo_sOH + Ca+2 = Hfo_sOHCa+2
- log_k 4.97
-
- Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+
- log_k -5.85
-#
-# Derived constants table 10.5
-#
-# Magnesium
- Hfo_wOH + Mg+2 = Hfo_wOMg+ + H+
- log_k -4.6
-
-###############################################
-# ANIONS #
-###############################################
-#
-# Anions from table 10.8
-#
-# Sulfate
- Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O
- log_k 7.78
-
- Hfo_wOH + SO4-2 = Hfo_wOHSO4-2
- log_k 0.79
-#
-# Carbonate: Van Geen et al., 1994 reoptimized for HFO
-# 0.15 g HFO/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L
-#
-# Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O
-# log_k 12.56
-#
-# Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O
-# log_k 20.62
-
-
-END
-MEAN GAM
-CaCl2
-CaSO4
-CaCO3
-Ca(OH)2
-MgCl2
-MgSO4
-MgCO3
-Mg(OH)2
-NaCl
-Na2SO4
-NaHCO3
-Na2CO3
-NaOH
-KCl
-K2SO4
-KHCO3
-K2CO3
-KOH
-HCl
-H2SO4
-HBr
-
-END
-
-
-# =============================================================================================
-#This database is based on the low-temperature Pitzer model
-#in the Na-K-Ca-Mg-H-Cl-SO4-CO3-HCO3-OH-H2O system, valid from 25 deg C
-#to -60 deg C. The model was developed by Spencer et al (1990), Marion and Farren (1999), and Marion (2001):
-#
-# Spencer, R. J., N. Møller, and J. H. Weare (1990)
-# The prediction of mineral solubilities in natural waters: A chemical equilibrium model for the Na-K-Ca-Mg-Cl-SO4-H2O system at temperatures below 25°C
-# Geochimica et Cosmochimica Acta, 54(3), 575-590.
-#
-# Marion, G. M., and R. E. Farren (1999)
-# Mineral solubilities in the Na-K-Mg-Ca-Cl-SO4-H2O system: A re-evaluation of the sulfate chemistry in the Spencer-Møller-Weare model
-# Geochimica et Cosmochimica Acta, 63(9), 1305-1318.
-#
-# Marion, G. M. (2001)
-# Carbonate mineral solubility at low temperatures in the Na-K-Mg-Ca-H-Cl-SO4-OH-HCO3-CO3-CO2-H2O system
-# Geochimica et Cosmochimica Acta, 65(12), 1883-1896.
-#
-#For solid phases, molar volumes are taken from Marion et al. (2005):
-#
-# Marion, G. M., J. S. Kargel, D. C. Catling, and S. D. Jakubowski (2005)
-# Effects of pressure on aqueous chemical equilibria at subzero temperatures with applications to Europa
-# Geochimica et Cosmochimica Acta, 69(2), 259–274.
-#
-#The original implementation of this model was in the fortran based FREZCHEM
-#model, as described by Marion and Grant (1994) and Marion and Kargel (2008):
-#
-# Marion, G. M., and S. A. Grant (1994)
-# FREZCHEM: A chemical-thermodynamic model for aqueous solutions at subzero temperatures
-# Cold Regions Research & Engineering Laboratory, U.S. Army Corps of Engineers, Hanover, NH.
-#
-# Marion, G. M., and J. S. Kargel (2008)
-# Cold aqueous planetary geochemistry with FREZCHEM: From modeling to the search for life at the limits
-# Springer, Berlin/Heidelberg.
-#
-#FREZCHEM was later adaped to the present frezchem.dat PHREEQC database by Toner and Sletten (2013):
-#
-# Toner, J. D., and R. S. Sletten (2013)
-# The formation of Ca-Cl enriched groundwaters in the Dry Valleys of Antarctica by cation exchange reactions: Field measurements and modeling of reactive transport
-# Geochimica et Cosmochimica Acta, 110, 84–105.
-#
-#See Fig. 2.2 in Toner and Sletten (2013) for a comparison between
-#PHREEQC and FREZCHEM for freezing seawater. Please cite appropriate
-#references when using this database.
-#
-# =============================================================================================
-#
-# For the reaction aA + bB = cC + dD,
-# with delta_v = c*Vm(C) + d*Vm(D) - a*Vm(A) - b*Vm(B),
-# PHREEQC adds the pressure term to log_k: -= delta_v * (P - 1) / (2.3RT).
-# Vm(A) is volume of A, cm3/mol, P is pressure, atm, R is the gas constant, T is Kelvin.
-# Gas-pressures and fugacity coefficients are calculated with Peng-Robinson's EOS.
-# Binary interaction coefficients from Soreide and Whitson, 1992, FPE 77, 217 are
-# hard-coded in calc_PR():
-# kij CH4 CO2 H2S N2
-# H2O 0.49 0.19 0.19 0.49
-# =============================================================================================
-# The molar volumes of solids are entered with
-# -Vm vm cm3/mol
-# vm is the molar volume, cm3/mol (default), but dm3/mol and m3/mol are permitted.
-# Data for minerals' vm (= MW (g/mol) / rho (g/cm3)) are defined using rho from
-# Deer, Howie and Zussman, The rock-forming minerals, Longman.
-# --------------------
-# Temperature- and pressure-dependent volumina of aqueous species are calculated with a Redlich-
-# type equation (cf. Redlich and Meyer, Chem. Rev. 64, 221), from parameters entered with
-# -Vm a1 a2 a3 a4 W a0 i1 i2 i3 i4
-# The volume (cm3/mol) is
-# Vm(T, pb, I) = 41.84 * (a1 * 0.1 + a2 * 100 / (2600 + pb) + a3 / (T - 228) +
-# a4 * 1e4 / (2600 + pb) / (T - 228) - W * QBrn)
-# + z^2 / 2 * Av * f(I^0.5)
-# + (i1 + i2 / (T - 228) + i3 * (T - 228)) * I^i4
-# Volumina at I = 0 are obtained using supcrt92 formulas (Johnson et al., 1992, CG 18, 899).
-# 41.84 transforms cal/bar/mol into cm3/mol.
-# pb is pressure in bar.
-# W * QBrn is the energy of solvation, calculated from W and the pressure dependence of the
-# Born equation.
-# z is charge of the solute species.
-# Av is the Debye-Hückel limiting slope.
-# a0 is the ion-size parameter in the extended Debye-Hückel equation:
-# f(I^0.5) = I^0.5) / (1 + a0 * DH_B * I^0.5),
-# a0 = -gamma x for cations, = 0 for anions.
-# For details, consult ref. 1.
-#
-# ref. 1: Appelo, Parkhurst and Post, 2014. Geochim. Cosmochim. Acta 125, 49–67.
-# ref. 2: Procedures from ref. 1 using data compiled by Laliberté, 2009, J. Chem. Eng. Data 54, 1725.
-#
-#
-# =============================================================================================
-# It remains the responsibility of the user to check the calculated results, for example with
-# measured solubilities as a function of (P, T).
diff --git a/Tests/Data/PhreeqcDatabase/frezchem.dat b/Tests/Data/PhreeqcDatabase/frezchem.dat
new file mode 120000
index 00000000000..69f74aae951
--- /dev/null
+++ b/Tests/Data/PhreeqcDatabase/frezchem.dat
@@ -0,0 +1 @@
+../../../ThirdParty/iphreeqc/src/database/frezchem.dat
\ No newline at end of file
diff --git a/Tests/Data/PhreeqcDatabase/iso.dat b/Tests/Data/PhreeqcDatabase/iso.dat
deleted file mode 100644
index 5b2e20df315..00000000000
--- a/Tests/Data/PhreeqcDatabase/iso.dat
+++ /dev/null
@@ -1,7230 +0,0 @@
-SOLUTION_MASTER_SPECIES
-E e- 0 0 0.0
-H H3O+ -1 H 1.008
-H(0) H2 0 H
-H(1) H3O+ -1 H
-O H2O 0 O 16.00
-O(0) O2 0 O
-O(-2) H2O 0 O
-Ca Ca+2 0 Ca 40.08
-Mg Mg+2 0 Mg 24.312
-Na Na+ 0 Na 22.9898
-K K+ 0 K 39.102
-Fe Fe+2 0.0 Fe 55.847
-Fe(+2) Fe+2 0.0 Fe
-Fe(+3) Fe+3 -2.0 Fe
-Al Al+3 0.0 Al 26.9815
-Si H4SiO4 0.0 SiO2 28.0843
-Cl Cl- 0 Cl 35.453
-C CO2 0 HCO3 12.0111
-C(4) CO2 0 HCO3
-C(-4) CH4 0 CH4
-S SO4-2 0 S 31.972
-S(6) SO4-2 0 SO4
-S(-2) HS- 1 S
-N NO3- 0 N 14.0067
-N(+5) NO3- 0 N
-N(+3) NO2- 0 N
-N(0) N2 0 N
-N(-3) NH4+ 0 N
-P PO4-3 2.0 P 30.9738
-F F- 0.0 F 18.9984
-Br Br- 0.0 Br 79.904
-
-SOLUTION_SPECIES
-H3O+ = H3O+
- log_k 0.000
- -gamma 9.0000 0.0000
-
-e- = e-
- log_k 0.000
-
-H2O = H2O
- log_k 0.000
-
-Ca+2 = Ca+2
- log_k 0.000
- -gamma 5.0000 0.1650
-
-Mg+2 = Mg+2
- log_k 0.000
- -gamma 5.5000 0.2000
-
-Na+ = Na+
- log_k 0.000
- -gamma 4.0000 0.0750
-
-K+ = K+
- log_k 0.000
- -gamma 3.5000 0.0150
-
-Fe+2 = Fe+2
- log_k 0.000
- -gamma 6.0000 0.0000
-
-Al+3 = Al+3
- log_k 0.000
- -gamma 9.0000 0.0000
-
-H4SiO4 = H4SiO4
- log_k 0.000
-
-Cl- = Cl-
- log_k 0.000
- -gamma 3.5000 0.0150
-
-SO4-2 = SO4-2
- log_k 0.000
- -gamma 5.0000 -0.0400
-
-NO3- = NO3-
- log_k 0.000
- -gamma 3.0000 0.0000
-
-PO4-3 = PO4-3
- log_k 0.000
- -gamma 4.0000 0.0000
-
-F- = F-
- log_k 0.000
- -gamma 3.5000 0.0000
-
-Br- = Br-
- log_k 0.000
- -gamma 3.0000 0.0000
-
-2H2O = OH- + H3O+
- log_k -14.000
- delta_h 13.362 kcal
- -analytic -283.971 -0.05069842 13323.0 102.24447 -1119669.0
- -gamma 3.5000 0.0000
-
-6 H2O = O2 + 4 H3O+ + 4 e-
- log_k -86.08
- delta_h 134.79 kcal
-
-2 H3O+ + 2 e- = H2 + 2H2O
- log_k -3.15
- delta_h -1.759 kcal
-
-CO2 + 2H2O = HCO3- + H3O+
- log_k -6.352
- delta_h 2.177 kcal
- -analytic -356.3094 -0.06092 21834.37 126.8339 -1684915
-
-CO2 + 3H2O = CO3-2 + 2H3O+
- log_k -16.681
- delta_h 5.738 kcal
- -analytic -464.1965 -0.09344813 26986.16 165.75951 -2248628.9
-
-CO3-2 + 10 H3O+ + 8 e- = CH4 + 13 H2O
- log_k 41.071
- delta_h -61.039 kcal
-
-SO4-2 + H3O+ = HSO4- + H2O
- log_k 1.988
- delta_h 3.85 kcal
- -analytic -56.889 0.006473 2307.9 19.8858 0.0
-
-SO4-2 + 9 H3O+ + 8 e- = HS- + 13 H2O
- log_k 33.65
- delta_h -60.140 kcal
- -gamma 3.5000 0.0000
-
-HS- + H2O = S-2 + H3O+
- log_k -12.918
- delta_h 12.1 kcal
- -gamma 5.0000 0.0000
-
-HS- + H3O+ = H2S + H2O
- log_k 6.994
- delta_h -5.300 kcal
- -analytic -11.17 0.02386 3279.0
-
-NO3- + 2 H3O+ + 2 e- = NO2- + 3H2O
- log_k 28.570
- delta_h -43.760 kcal
- -gamma 3.0000 0.0000
-
-2 NO3- + 12 H3O+ + 10e- = N2 + 18 H2O
- log_k 207.080
- delta_h -312.130 kcal
-
-NH4+ + H2O = NH3 + H3O+
- log_k -9.252
- delta_h 12.48 kcal
- -analytic 0.6322 -0.001225 -2835.76
-
-NO3- + 10 H3O+ + 8 e- = NH4+ + 13 H2O
- log_k 119.077
- delta_h -187.055 kcal
- -gamma 2.5000 0.0000
-
-NH4+ + SO4-2 = NH4SO4-
- log_k 1.11
-
-PO4-3 + H3O+ = HPO4-2 + H2O
- log_k 12.346
- delta_h -3.530 kcal
- -gamma 4.0000 0.0000
-
-PO4-3 + 2 H3O+ = H2PO4- + 2H2O
- log_k 19.553
- delta_h -4.520 kcal
- -gamma 4.5000 0.0000
-
-H3O+ + F- = HF + H2O
- log_k 3.18
- delta_h 3.18 kcal
- -analytic -2.033 0.012645 429.01
-
-H3O+ + 2 F- = HF2- + H2O
- log_k 3.760
- delta_h 4.550 kcal
-
-Ca+2 + OH- = CaOH+
- log_k -12.780
-
-Ca+2 + CO3-2 = CaCO3
- log_k 3.224
- delta_h 3.545 kcal
- -analytic -1228.732 -0.299440 35512.75 485.818
-
-#Ca+2 + HCO3- = CaHCO3+
-Ca+2 + CO3-2 + H3O+ = CaHCO3+ + H2O
- log_k 11.435
- delta_h -0.871 kcal
- -analytic 1317.0071 0.34546894 -39916.84 -517.70761 563713.9
- -gamma 5.4000 0.0000
-
-Ca+2 + SO4-2 = CaSO4
- log_k 2.300
- delta_h 1.650 kcal
-
-Ca+2 + HSO4- = CaHSO4+
- log_k 1.08
-
-Ca+2 + PO4-3 = CaPO4-
- log_k 6.459
- delta_h 3.100 kcal
-
-Ca+2 + HPO4-2 = CaHPO4
- log_k 2.739
- delta_h 3.3 kcal
-
-Ca+2 + H2PO4- = CaH2PO4+
- log_k 1.408
- delta_h 3.4 kcal
-
-Ca+2 + F- = CaF+
- log_k 0.940
- delta_h 4.120 kcal
-
-Mg+2 + OH- = MgOH+
- log_k -11.440
- delta_h 15.952 kcal
-
-Mg+2 + CO3-2 = MgCO3
- log_k 2.98
- delta_h 2.713 kcal
- -analytic 0.9910 0.00667
-
-Mg+2 + H3O+ + CO3-2 = MgHCO3+ + H2O
- log_k 11.399
- delta_h -2.771 kcal
- -analytic 48.6721 0.03252849 -2614.335 -18.00263 563713.9
-
-Mg+2 + SO4-2 = MgSO4
- log_k 2.370
- delta_h 4.550 kcal
-
-Mg+2 + PO4-3 = MgPO4-
- log_k 6.589
- delta_h 3.100 kcal
-
-Mg+2 + HPO4-2 = MgHPO4
- log_k 2.87
- delta_h 3.3 kcal
-
-Mg+2 + H2PO4- = MgH2PO4+
- log_k 1.513
- delta_h 3.4 kcal
-
-Mg+2 + F- = MgF+
- log_k 1.820
- delta_h 3.200 kcal
-
-Na+ + OH- = NaOH
- log_k -14.180
-
-Na+ + CO3-2 = NaCO3-
- log_k 1.270
- delta_h 8.910 kcal
-
-Na+ + HCO3- = NaHCO3
- log_k -0.25
-
-Na+ + SO4-2 = NaSO4-
- log_k 0.700
- delta_h 1.120 kcal
-
-Na+ + HPO4-2 = NaHPO4-
- log_k 0.29
-
-Na+ + F- = NaF
- log_k -0.240
-
-K+ + OH- = KOH
- log_k -14.460
-
-K+ + SO4-2 = KSO4-
- log_k 0.850
- delta_h 2.250 kcal
- -analytic 3.106 0.0 -673.6
-
-K+ + HPO4-2 = KHPO4-
- log_k 0.29
-
-Fe+2 + 2H2O = FeOH+ + H3O+
- log_k -9.500
- delta_h 13.200 kcal
-
-Fe+2 + Cl- = FeCl+
- log_k 0.140
-
-Fe+2 + CO3-2 = FeCO3
- log_k 4.380
-
-Fe+2 + HCO3- = FeHCO3+
- log_k 2.0
-
-Fe+2 + SO4-2 = FeSO4
- log_k 2.250
- delta_h 3.230 kcal
-
-Fe+2 + HSO4- = FeHSO4+
- log_k 1.08
-
-Fe+2 + 2HS- = Fe(HS)2
- log_k 8.95
-
-Fe+2 + 3HS- = Fe(HS)3-
- log_k 10.987
-
-Fe+2 + HPO4-2 = FeHPO4
- log_k 3.6
-
-Fe+2 + H2PO4- = FeH2PO4+
- log_k 2.7
-
-Fe+2 + F- = FeF+
- log_k 1.000
-
-Fe+2 = Fe+3 + e-
- log_k -13.020
- delta_h 9.680 kcal
- -gamma 9.0000 0.0000
-
-Fe+3 + 2H2O = FeOH+2 + H3O+
- log_k -2.19
- delta_h 10.4 kcal
-
-Fe+3 + 4H2O = Fe(OH)2+ + 2 H3O+
- log_k -5.67
- delta_h 17.1 kcal
-
-Fe+3 + 6 H2O = Fe(OH)3 + 3 H3O+
- log_k -12.56
- delta_h 24.8 kcal
-
-Fe+3 + 8 H2O = Fe(OH)4- + 4 H3O+
- log_k -21.6
- delta_h 31.9 kcal
-
-2 Fe+3 + 4 H2O = Fe2(OH)2+4 + 2 H3O+
- log_k -2.95
- delta_h 13.5 kcal
-
-3 Fe+3 + 8 H2O = Fe3(OH)4+5 + 4 H3O+
- log_k -6.3
- delta_h 14.3 kcal
-
-Fe+3 + Cl- = FeCl+2
- log_k 1.48
- delta_h 5.6 kcal
-
-Fe+3 + 2 Cl- = FeCl2+
- log_k 2.13
-
-Fe+3 + 3 Cl- = FeCl3
- log_k 1.13
-
-Fe+3 + SO4-2 = FeSO4+
- log_k 4.04
- delta_h 3.91 kcal
-
-Fe+3 + HSO4- = FeHSO4+2
- log_k 2.48
-
-Fe+3 + 2 SO4-2 = Fe(SO4)2-
- log_k 5.38
- delta_h 4.60 kcal
-
-Fe+3 + HPO4-2 = FeHPO4+
- log_k 5.43
- delta_h 5.76 kcal
-
-Fe+3 + H2PO4- = FeH2PO4+2
- log_k 5.43
-
-Fe+3 + F- = FeF+2
- log_k 6.2
- delta_h 2.7 kcal
-
-Fe+3 + 2 F- = FeF2+
- log_k 10.8
- delta_h 4.8 kcal
-
-Fe+3 + 3 F- = FeF3
- log_k 14.0
- delta_h 5.4 kcal
-
-Al+3 + 2H2O = AlOH+2 + H3O+
- log_k -5.00
- delta_h 11.49 kcal
- -analytic -38.253 0.0 -656.27 14.327
-
-Al+3 + 4 H2O = Al(OH)2+ + 2 H3O+
- log_k -10.1
- delta_h 26.90 kcal
- -analytic 88.500 0.0 -9391.6 -27.121
-
-Al+3 + 6 H2O = Al(OH)3 + 3 H3O+
- log_k -16.9
- delta_h 39.89 kcal
- -analytic 226.374 0.0 -18247.8 -73.597
-
-Al+3 + 8 H2O = Al(OH)4- + 4 H3O+
- log_k -22.7
- delta_h 42.30 kcal
- -analytic 51.578 0.0 -11168.9 -14.865
-
-Al+3 + SO4-2 = AlSO4+
- log_k 3.5
- delta_h 2.29 kcal
-
-Al+3 + 2SO4-2 = Al(SO4)2-
- log_k 5.0
- delta_h 3.11 kcal
-
-Al+3 + HSO4- = AlHSO4+2
- log_k 0.46
-
-Al+3 + F- = AlF+2
- log_k 7.000
- delta_h 1.060 kcal
-
-Al+3 + 2 F- = AlF2+
- log_k 12.700
- delta_h 1.980 kcal
-
-Al+3 + 3 F- = AlF3
- log_k 16.800
- delta_h 2.160 kcal
-
-Al+3 + 4 F- = AlF4-
- log_k 19.400
- delta_h 2.200 kcal
-
-Al+3 + 5 F- = AlF5-2
- log_k 20.600
- delta_h 1.840 kcal
-
-Al+3 + 6 F- = AlF6-3
- log_k 20.600
- delta_h -1.670 kcal
-
-H4SiO4 + H2O = H3SiO4- + H3O+
- log_k -9.83
- delta_h 6.12 kcal
- -analytic -302.3724 -0.050698 15669.69 108.18466 -1119669.0
-
-H4SiO4 + 2H2O= H2SiO4-2 + 2 H3O+
- log_k -23.0
- delta_h 17.6 kcal
- -analytic -294.0184 -0.072650 11204.49 108.18466 -1119669.0
-
-H4SiO4 + 4 H3O+ + 6 F- = SiF6-2 + 8 H2O
- log_k 30.180
- delta_h -16.260 kcal
-PHASES
-Calcite
- CaCO3 = CO3-2 + Ca+2
- log_k -8.480
- delta_h -2.297 kcal
- -analytic -171.9065 -0.077993 2839.319 71.595
-
-Dolomite
- CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2
- log_k -17.090
- delta_h -9.436 kcal
-
-Siderite
- FeCO3 = Fe+2 + CO3-2
- log_k -10.890
- delta_h -2.480 kcal
-
-Gypsum
- CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O
- log_k -4.580
- delta_h -0.109 kcal
- -analytic 68.2401 0.0 -3221.51 -25.0627
-
-Anhydrite
- CaSO4 = Ca+2 + SO4-2
- log_k -4.360
- delta_h -1.710 kcal
- -analytic 197.52 0.0 -8669.8 -69.835
-
-Hydroxyapatite
- Ca5(PO4)3OH + 4 H3O+ = 5H2O + 3 HPO4-2 + 5 Ca+2
- log_k -3.421
- delta_h -36.155 kcal
-
-Fluorite
- CaF2 = Ca+2 + 2 F-
- log_k -10.600
- delta_h 4.690 kcal
- -analytic 66.348 0.0 -4298.2 -25.271
-
-SiO2(a)
- SiO2 + 2 H2O = H4SiO4
- log_k -2.710
- delta_h 3.340 kcal
- -analytic -0.26 0.0 -731.0
-
-Chalcedony
- SiO2 + 2 H2O = H4SiO4
- log_k -3.550
- delta_h 4.720 kcal
- -analytic -0.09 0.0 -1032.0
-
-Quartz
- SiO2 + 2 H2O = H4SiO4
- log_k -3.980
- delta_h 5.990 kcal
- -analytic 0.41 0.0 -1309.0
-
-Gibbsite
- Al(OH)3 + 3 H3O+ = Al+3 + 6 H2O
- log_k 8.110
- delta_h -22.800 kcal
-
-Al(OH)3(a)
- Al(OH)3 + 3 H3O+ = Al+3 + 6 H2O
- log_k 10.800
- delta_h -26.500 kcal
-
-Kaolinite
- Al2Si2O5(OH)4 + 6 H3O+ = 7H2O + 2 H4SiO4 + 2 Al+3
- log_k 7.435
- delta_h -35.300 kcal
-
-Albite
- NaAlSi3O8 + 8 H2O = Na+ + Al(OH)4- + 3 H4SiO4
- log_k -18.002
- delta_h 25.896 kcal
-
-Anorthite
- CaAl2Si2O8 + 8 H2O = Ca+2 + 2 Al(OH)4- + 2 H4SiO4
- log_k -19.714
- delta_h 11.580 kcal
-
-K-feldspar
- KAlSi3O8 + 8 H2O = K+ + Al(OH)4- + 3 H4SiO4
- log_k -20.573
- delta_h 30.820 kcal
-
-K-mica
- KAl3Si3O10(OH)2 + 10 H3O+ = K+ + 3 Al+3 + 3 H4SiO4 + 10H2O
- log_k 12.703
- delta_h -59.376 kcal
-
-Chlorite(14A)
- Mg5Al2Si3O10(OH)8 + 16 H3O+ = 5Mg+2 + 2Al+3 + 3H4SiO4 + 22H2O
- log_k 68.38
- delta_h -151.494 kcal
-
-Ca-Montmorillonite
- Ca0.165Al2.33Si3.67O10(OH)2 + 14 H2O = 0.165Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H3O+
- log_k -45.027
- delta_h 58.373 kcal
-
-Talc
- Mg3Si4O10(OH)2 + 4 H2O + 6 H3O+ = 3 Mg+2 + 4 H4SiO4 + 6H2O
- log_k 21.399
- delta_h -46.352 kcal
-
-Illite
- K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 12.4H2O = 0.6K+ + 0.25Mg+2 + 2.3Al(OH)4- + 3.5H4SiO4 + 1.2H3O+
- log_k -40.267
- delta_h 54.684 kcal
-
-Chrysotile
- Mg3Si2O5(OH)4 + 6 H3O+ = 7H2O + 2 H4SiO4 + 3 Mg+2
- log_k 32.200
- delta_h -46.800 kcal
- -analytic 13.248 0.0 10217.1 -6.1894
-
-Sepiolite
- Mg2Si3O7.5OH:3H2O + 4 H3O+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4 + 4H2O
- log_k 15.760
- delta_h -10.700 kcal
-
-Sepiolite(d)
- Mg2Si3O7.5OH:3H2O + 4 H3O+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4 + 4H2O
- log_k 18.660
-
-Hematite
- Fe2O3 + 6 H3O+ = 2 Fe+3 + 9 H2O
- log_k -4.008
- delta_h -30.845 kcal
-
-Goethite
- FeOOH + 3 H3O+ = Fe+3 + 5 H2O
- log_k -1.000
- delta_h -14.48 kcal
-
-Fe(OH)3(a)
- Fe(OH)3 + 3 H3O+ = Fe+3 + 6 H2O
- log_k 4.891
-
-Pyrite
- FeS2 + 2H3O+ + 2e- = Fe+2 + 2HS- + 2H2O
- log_k -18.479
- delta_h 11.300 kcal
-
-FeS(ppt)
- FeS + H3O+ = Fe+2 + HS- + H2O
- log_k -3.915
-
-Mackinawite
- FeS + H3O+ = Fe+2 + HS- + H2O
- log_k -4.648
-
-Sulfur
- S + 2 H3O+ + 2e- = H2S + 2H2O
- log_k 4.882
- delta_h -9.5 kcal
-
-Vivianite
- Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O
- log_k -36.000
-
-Halite
- NaCl = Na+ + Cl-
- log_k 1.582
- delta_h 0.918 kcal
-
-CO2(g)
- CO2(g) = CO2
- log_k -1.468
- delta_h -4.776 kcal
- -analytic 108.3865 0.01985076 -6919.53 -40.45154 669365.0
-
-O2(g)
- O2 = O2
-# log_k -2.960
-# delta_h -1.844 kcal
- # log K from llnl.dat Dec 8, 2010
- log_k -2.8983
- -analytic -7.5001e+000 7.8981e-003 0.0000e+000 0.0000e+000 2.0027e+005
-
-H2(g)
- H2 = H2
- log_k -3.150
- delta_h -1.759 kcal
-
-H2O(g)
- H2O = H2O
- log_k 1.51
- delta_h -44.03 kJ
-
-N2(g)
- N2 = N2
- log_k -3.260
- delta_h -1.358 kcal
-
-H2S(g)
- H2S = H2S
- log_k -0.997
- delta_h -4.570 kcal
-
-CH4(g)
- CH4 = CH4
- log_k -2.860
- delta_h -3.373 kcal
-
-NH3(g)
- NH3 = NH3
- log_k 1.770
- delta_h -8.170 kcal
-
-Melanterite
- FeSO4:7H2O = 7 H2O + Fe+2 + SO4-2
- log_k -2.209
- delta_h 4.910 kcal
- -analytic 1.447 -0.004153 0.0 0.0 -214949.0
-
-Alunite
- KAl3(SO4)2(OH)6 + 6 H3O+ = K+ + 3 Al+3 + 2 SO4-2 + 12H2O
- log_k -1.400
- delta_h -50.250 kcal
-
-Jarosite-K
- KFe3(SO4)2(OH)6 + 6 H3O+ = 3 Fe+3 + 12 H2O + K+ + 2 SO4-2
- log_k -9.210
- delta_h -31.280 kcal
-
-EXCHANGE_MASTER_SPECIES
- X X-
-EXCHANGE_SPECIES
- X- = X-
- log_k 0.0
-
- Na+ + X- = NaX
- log_k 0.0
- -gamma 4.0 0.075
-
- K+ + X- = KX
- log_k 0.7
- -gamma 3.5 0.015
- delta_h -4.3 # Jardine & Sparks, 1984
-
- NH4+ + X- = NH4X
- log_k 0.6
- -gamma 2.5 0.0
- delta_h -2.4 # Laudelout et al., 1968
-
- Ca+2 + 2X- = CaX2
- log_k 0.8
- -gamma 5.0 0.165
- delta_h 7.2 # Van Bladel & Gheyl, 1980
-
- Mg+2 + 2X- = MgX2
- log_k 0.6
- -gamma 5.5 0.2
- delta_h 7.4 # Laudelout et al., 1968
-
- Fe+2 + 2X- = FeX2
- log_k 0.44
- -gamma 6.0 0.0
-
- Al+3 + 3X- = AlX3
- log_k 0.41
- -gamma 9.0 0.0
-
- AlOH+2 + 2X- = AlOHX2
- log_k 0.89
- -gamma 0.0 0.0
-
-SURFACE_MASTER_SPECIES
- Hfo_s Hfo_sOH
- Hfo_w Hfo_wOH
-
-SURFACE_SPECIES
-# All surface data from
-# Dzombak and Morel, 1990
-#
-#
-# Acid-base data from table 5.7
-#
-# strong binding site--Hfo_s,
-
- Hfo_sOH = Hfo_sOH
- log_k 0.0
-
- Hfo_sOH + H3O+ = Hfo_sOH2+ + H2O
- log_k 7.29 # = pKa1,int
-
- Hfo_sOH + H2O = Hfo_sO- + H3O+
- log_k -8.93 # = -pKa2,int
-
-# weak binding site--Hfo_w
-
- Hfo_wOH = Hfo_wOH
- log_k 0.0
-
- Hfo_wOH + H3O+ = Hfo_wOH2+ + H2O
- log_k 7.29 # = pKa1,int
-
- Hfo_wOH + H2O = Hfo_wO- + H3O+
- log_k -8.93 # = -pKa2,int
-
-###############################################
-# CATIONS #
-###############################################
-#
-# Cations from table 10.1 or 10.5
-#
-# Calcium
- Hfo_sOH + Ca+2 = Hfo_sOHCa+2
- log_k 4.97
-
- Hfo_wOH + Ca+2 + H2O = Hfo_wOCa+ + H3O+
- log_k -5.85
-#
-# Derived constants table 10.5
-#
-# Magnesium
- Hfo_wOH + Mg+2 + H2O = Hfo_wOMg+ + H3O+
- log_k -4.6
-# Iron
-# Hfo_sOH + Fe+2 + H2O = Hfo_sOFe+ + H3O+
-# log_k 0.7 # LFER using table 10.5
-
-# Hfo_wOH + Fe+2 + H2O = Hfo_wOFe+ + H3O+
-# log_k -2.5 # LFER using table 10.5
-
-# Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, subm.
- Hfo_sOH + Fe+2 + H2O = Hfo_sOFe+ + H3O+
- log_k -0.95
-# Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M
- Hfo_wOH + Fe+2 + H2O = Hfo_wOFe+ + H3O+
- log_k -2.98
-
- Hfo_wOH + Fe+2 + 3H2O = Hfo_wOFeOH + 2H3O+
- log_k -11.55
-
-###############################################
-# ANIONS #
-###############################################
-#
-# Anions from table 10.6
-#
-# Phosphate
- Hfo_wOH + PO4-3 + 3 H3O+ = Hfo_wH2PO4 + 4H2O
- log_k 31.29
-
- Hfo_wOH + PO4-3 + 2 H3O+ = Hfo_wHPO4- + 3H2O
- log_k 25.39
-
- Hfo_wOH + PO4-3 + H3O+ = Hfo_wPO4-2 + 2H2O
- log_k 17.72
-#
-# Anions from table 10.7
-#
-# Sulfate
- Hfo_wOH + SO4-2 + H3O+ = Hfo_wSO4- + 2H2O
- log_k 7.78
-
- Hfo_wOH + SO4-2 = Hfo_wOHSO4-2
- log_k 0.79
-#
-# Derived constants table 10.10
-#
- Hfo_wOH + F- + H3O+ = Hfo_wF + 2H2O
- log_k 8.7
-
- Hfo_wOH + F- = Hfo_wOHF-
- log_k 1.6
-#
-# Carbonate: Van Geen et al., 1994 reoptimized for HFO
-# 0.15 g HFO/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L
-#
-# Hfo_wOH + CO3-2 + H3O+ = Hfo_wCO3- + 2H2O
-# log_k 12.56
-#
-# Hfo_wOH + CO3-2 + 2 H3O+= Hfo_wHCO3 + 3 H2O
-# log_k 20.62
-
-# 9/19/96
-# Added analytical expression for H2S, NH3, KSO4.
-# Added species CaHSO4+.
-# Added delta H for Goethite.
-
-#
-# Begin Isotope definitions
-#
-###############################################################################################
-SOLUTION_MASTER_SPECIES
-###############################################################################################
-D D2O 0 D 2
-D(1) D2O 0 D
-D(0) HD 0 D
-T HTO 0 T 3
-T(1) HTO 0 T
-T(0) HT 0 T
-[18O] H2[18O] 0 [18O] 18
-[18O](-2) H2[18O] 0 [18O] 18
-[18O](0) O[18O] 0 [18O] 18
-[13C] [13C]O2 0 [13C] 13
-[13C](4) [13C]O2 0 [13C]
-[13C](-4) [13C]H4 0 [13C]
-[14C] [14C]O2 0 [14C] 14
-[14C](4) [14C]O2 0 [14C]
-[14C](-4) [14C]H4 0 [14C]
-[34S] [34S]O4-2 0 [34S] 33.967
-[34S](6) [34S]O4-2 0 [34S]
-[34S](-2) H[34S]- 0 [34S]
-[15N] [15N]O3- 0 [15N] 15.00010897312
-[15N](5) [15N]O3- 0 [15N]
-[15N](3) [15N]O2- 0 [15N]
-[15N](0) N[15N] 0 [15N]
-[15N](-3) [15N]H4+ 0 [15N]
-###############################################################################################
-ISOTOPES
-###############################################################################################
-H
- -isotope D permil 155.76e-6 # VSMOW (Clark and Fritz, 1997)
- -isotope T TU 1e-18 # Solomon and Cook, in eds, Cook and Herczeg, 2000
-H(0)
- -isotope D(0) permil 155.76e-6 # VSMOW (Clark and Fritz, 1997)
- -isotope T(0) TU 1e-18 # Solomon and Cook, in eds, Cook and Herczeg, 2000
- # 1 THO in 10^18 H2O
-# -isotope T pCi/L 3.125e-18 #
-#1e-18/3.2 = T/mol H2O
-C
- -isotope [13C] permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite
- # Chang and Li, 1990, Chinese Science Bulletin
- -isotope [13C](4) permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite
- # Chang and Li, 1990, Chinese Science Bulletin
- -isotope [13C](-4) permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite
- -isotope [14C] pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon
- -isotope [14C](4) pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon
- # 13.56 Modern Carbon dpm (Kalin, in eds, Cook and Herczeg, 2000)
- -isotope [14C](-4) pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon
-C(4)
- -isotope [13C](4) permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite
- # Chang and Li, 1990, Chinese Science Bulletin
- -isotope [14C](4) pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon
- # 13.56 Modern Carbon dpm (Kalin, in eds, Cook and Herczeg, 2000)
- # 13.56 Modern Carbon dpm (Kalin, in eds, Cook and Herczeg, 2000)
-C(-4)
- -isotope [13C](-4) permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite
- -isotope [14C](-4) pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon
- # 14C calculation
- #
- # lambda = ln(2)/(5730 yrs * 3.15576e7 sec/yr)
- # mole/g carbon = -(dn/dt)/lambda = 0.226 dps / 3.8332476e-12 / 6.022136736e23
- # mole C/g C NBS Oxalic Acid with 13C = -19.3: 0.08325783313
- # mole 14C/mol Modern Carbon mol/g carbon/ (mole C/g C) = 1.175887709e-12
- #
-O
- -isotope [18O] permil 2005.2e-6 # VSMOW (Clark and Fritz, 1997)
- -isotope [18O](0) permil 2005.2e-6 # VSMOW (Clark and Fritz, 1997)
-O(0)
- -isotope [18O](0) permil 2005.2e-6 # VSMOW (Clark and Fritz, 1997)
-
-S
- # Coplen and others, 2002
- -isotope [34S] permil 0.04416264 # VCDT, Vienna Canyon Diablo Troilite
- -isotope [34S](6) permil 0.04416264 # VCDT
- -isotope [34S](-2) permil 0.04416264 # VCDT
-S(6)
- -isotope [34S](6) permil 0.04416264 # VCDT
-S(-2)
- -isotope [34S](-2) permil 0.04416264 # VCDT
-N
- # Coplen and others, 2002
- -isotope [15N] permil 0.003676867 # Air
- -isotope [15N](5) permil 0.003676867 # Air
- -isotope [15N](3) permil 0.003676867 # Air
- -isotope [15N](0) permil 0.003676867 # Air
- -isotope [15N](-3) permil 0.003676867 # Air
-N(5)
- -isotope [15N](5) permil 0.003676867 # Air
-N(3)
- -isotope [15N](3) permil 0.003676867 # Air
-N(0)
- -isotope [15N](0) permil 0.003676867 # Air
-N(-3)
- -isotope [15N](-3) permil 0.003676867 # Air
-###############################################################################################
-ISOTOPE_RATIOS
-###############################################################################################
-#
-# Total aqueous ratios
-#
- R(D) D
- R(T) T
- R(18O) [18O]
- R(13C) [13C]
- R(14C) [14C]
- R(15N) [15N]
- R(34S) [34S]
-# H2O(l) ratios
- R(D)_H2O(l) D
- R(T)_H2O(l) T
- R(18O)_H2O(l) [18O]
-# OH- ratios
- R(D)_OH- D
- R(T)_OH- T
- R(18O)_OH- [18O]
-# H3O+ ratios
- R(D)_H3O+ D
- R(T)_H3O+ T
- R(18O)_H3O+ [18O]
-# O2(aq) ratios
- R(18O)_O2(aq) [18O]
-# H2(aq) ratios
- R(D)_H2(aq) D
- R(T)_H2(aq) T
-# CO2(aq) ratios
- R(13C)_CO2(aq) [13C]
- R(14C)_CO2(aq) [14C]
- R(18O)_CO2(aq) [18O]
-# HCO3- ratios
- R(D)_HCO3- D
- R(T)_HCO3- T
- R(18O)_HCO3- [18O]
- R(13C)_HCO3- [13C]
- R(14C)_HCO3- [14C]
-# CO3-2 ratios
- R(18O)_CO3-2 [18O]
- R(13C)_CO3-2 [13C]
- R(14C)_CO3-2 [14C]
-# CH4(aq) ratios
- R(D)_CH4(aq) D
- R(T)_CH4(aq) T
- R(13C)_CH4(aq) [13C]
- R(14C)_CH4(aq) [14C]
-# SO4-2 ratios
- R(34S)_SO4-2 [34S]
-# HSO4- ratios
- R(D)_HSO4- D
- R(T)_HSO4- T
- R(34S)_HSO4- [34S]
-# S-2 ratios
- R(34S)_S-2 [34S]
-# HS- ratios
- R(D)_HS- D
- R(T)_HS- T
- R(34S)_HS- [34S]
-# H2S ratios
- R(D)_H2S(aq) D
- R(T)_H2S(aq) T
- R(34S)_H2S(aq) [34S]
-# NO3- ratios
- R(15N)_NO3- [15N]
-# NO2- ratios
- R(15N)_NO2- [15N]
-# N2(aq) ratios
- R(15N)_N2(aq) [15N]
-# NH3(aq) ratios
- R(D)_NH3(aq) D
- R(T)_NH3(aq) T
- R(15N)_NH3(aq) [15N]
-# NH4+ ratios
- R(D)_NH4+ D
- R(T)_NH4+ T
- R(15N)_NH4+ [15N]
-#
-# Ratios for minerals and gases
-#
-# H2O(g) ratios
- R(D)_H2O(g) D
- R(T)_H2O(g) T
- R(18O)_H2O(g) [18O]
-# O2(g) ratios
- R(18O)_O2(g) [18O]
-# H2(g) ratios
- R(D)_H2(g) D
- R(T)_H2(g) T
-# CO2(g) ratios
- R(18O)_CO2(g) [18O]
- R(13C)_CO2(g) [13C]
- R(14C)_CO2(g) [14C]
-# Calcite ratios
- R(18O)_Calcite [18O]
- R(13C)_Calcite [13C]
- R(14C)_Calcite [14C]
-# Pyrite ratios
- R(34S)_Pyrite [34S]
-# CH4(g) ratios
- R(D)_CH4(g) D
- R(T)_CH4(g) T
- R(13C)_CH4(g) [13C]
- R(14C)_CH4(g) [14C]
-# H2S(g) ratios
- R(D)_H2S(g) D
- R(T)_H2S(g) T
- R(34S)_H2S(g) [34S]
-# Gypsum ratios
- R(34S)_Gypsum [34S]
-# Anhydrite ratios
- R(34S)_Anhydrite [34S]
-# N2(g) ratios
- R(15N)_N2(g) [15N]
-# NH3(g) ratios
- R(D)_NH3(g) D
- R(T)_NH3(g) T
- R(15N)_NH3(g) [15N]
-
-ISOTOPE_ALPHAS
-# OH-
- Alpha_D_OH-/H2O(l) Log_alpha_D_OH-/H2O(l)
- Alpha_T_OH-/H2O(l) Log_alpha_T_OH-/H2O(l)
- Alpha_18O_OH-/H2O(l) Log_alpha_18O_OH-/H2O(l)
-# H3O+
- Alpha_D_H3O+/H2O(l) Log_alpha_D_H3O+/H2O(l)
- Alpha_T_H3O+/H2O(l) Log_alpha_T_H3O+/H2O(l)
- Alpha_18O_H3O+/H2O(l) Log_alpha_18O_H3O+/H2O(l)
-# O2(aq)
- Alpha_18O_O2(aq)/H2O(l) Log_alpha_18O_O2(aq)/H2O(l)
-# H2(aq)
- Alpha_D_H2(aq)/H2O(l) Log_alpha_D_H2(aq)/H2O(l)
- Alpha_T_H2(aq)/H2O(l) Log_alpha_T_H2(aq)/H2O(l)
-# CO2(aq)
- Alpha_18O_CO2(aq)/H2O(l) Log_alpha_18O_CO2(aq)/H2O(l)
- Alpha_13C_CO2(aq)/CO2(g) Log_alpha_13C_CO2(aq)/CO2(g)
- Alpha_14C_CO2(aq)/CO2(g) Log_alpha_14C_CO2(aq)/CO2(g)
-# HCO3-
- Alpha_D_HCO3-/H2O(l) Log_alpha_D_HCO3-/H2O(l)
- Alpha_T_HCO3-/H2O(l) Log_alpha_T_HCO3-/H2O(l)
- Alpha_18O_HCO3-/H2O(l) Log_alpha_18O_HCO3-/H2O(l)
- Alpha_13C_HCO3-/CO2(aq) Log_alpha_13C_HCO3-/CO2(aq)
- Alpha_14C_HCO3-/CO2(aq) Log_alpha_14C_HCO3-/CO2(aq)
- Alpha_13C_HCO3-/CO2(g) Log_alpha_13C_HCO3-/CO2(g)
- Alpha_14C_HCO3-/CO2(g) Log_alpha_14C_HCO3-/CO2(g)
-# CO3-2
- Alpha_18O_CO3-2/H2O(l) Log_alpha_18O_CO3-2/H2O(l)
- Alpha_13C_CO3-2/CO2(aq) Log_alpha_13C_CO3-2/CO2(aq)
- Alpha_14C_CO3-2/CO2(aq) Log_alpha_14C_CO3-2/CO2(aq)
- Alpha_13C_CO3-2/CO2(g) Log_alpha_13C_CO3-2/CO2(g)
- Alpha_14C_CO3-2/CO2(g) Log_alpha_14C_CO3-2/CO2(g)
-# CH4(aq)
- Alpha_D_CH4(aq)/H2O(l) Log_alpha_D_CH4(aq)/H2O(l)
- Alpha_T_CH4(aq)/H2O(l) Log_alpha_T_CH4(aq)/H2O(l)
- Alpha_13C_CH4(aq)/CO2(aq) Log_alpha_13C_CH4(aq)/CO2(aq)
- Alpha_14C_CH4(aq)/CO2(aq) Log_alpha_14C_CH4(aq)/CO2(aq)
-# HSO4-
- Alpha_D_HSO4-/H2O(l) Log_alpha_D_HSO4-/H2O(l)
- Alpha_T_HSO4-/H2O(l) Log_alpha_T_HSO4-/H2O(l)
- Alpha_34S_HSO4-/SO4-2 Log_alpha_34S_HSO4-/SO4-2
-# S-2
- Alpha_34S_S-2/HS- Log_alpha_34S_S-2/HS-
-# HS-
- Alpha_D_HS-/H2O(l) Log_alpha_D_HS-/H2O(l)
- Alpha_T_HS-/H2O(l) Log_alpha_T_HS-/H2O(l)
- Alpha_34S_HS-/SO4-2 Log_alpha_34S_HS-/SO4-2
-# H2S
- Alpha_D_H2S(aq)/H2O(l) Log_alpha_D_H2S(aq)/H2O(l)
- Alpha_T_H2S(aq)/H2O(l) Log_alpha_T_H2S(aq)/H2O(l)
- Alpha_34S_H2S(aq)/HS- Log_alpha_34S_H2S(aq)/HS-
-# NO2-
- Alpha_15N_NO2-/NO3- Log_alpha_15N_NO2-/NO3-
-# N2(aq)
- Alpha_15N_N2(aq)/NO3- Log_alpha_15N_N2(aq)/NO3-
-# NH3(aq)
- Alpha_D_NH3(aq)/H2O(l) Log_alpha_D_NH3(aq)/H2O(l)
- Alpha_T_NH3(aq)/H2O(l) Log_alpha_T_NH3(aq)/H2O(l)
- Alpha_15N_NH3(aq)/NO3- Log_alpha_15N_NH3(aq)/NO3-
-# NH4+
- Alpha_D_NH4+/H2O(l) Log_alpha_D_NH4+/H2O(l)
- Alpha_T_NH4+/H2O(l) Log_alpha_T_NH4+/H2O(l)
- Alpha_15N_NH4+/NH3(aq) Log_alpha_15N_NH4+/NH3(aq)
-# H2O(g)
- Alpha_D_H2O(g)/H2O(l) Log_alpha_D_H2O(g)/H2O(l)
- Alpha_T_H2O(g)/H2O(l) Log_alpha_T_H2O(g)/H2O(l)
- Alpha_18O_H2O(g)/H2O(l) Log_alpha_18O_H2O(g)/H2O(l)
-# O2(g)
- Alpha_18O_O2(g)/H2O(l) Log_alpha_18O_O2(g)/H2O(l) #?
-# H2(g)
- Alpha_D_H2(g)/H2O(l) Log_alpha_D_H2(g)/H2O(l) #?
- Alpha_T_H2(g)/H2O(l) Log_alpha_T_H2(g)/H2O(l) #?
-# CO2(g)
- Alpha_18O_CO2(g)/H2O(l) Log_alpha_18O_CO2(g)/H2O(l)
- Alpha_13C_CO2(g)/CO2(aq) Log_alpha_13C_CO2(g)/CO2(aq)
- Alpha_14C_CO2(g)/CO2(aq) Log_alpha_14C_CO2(g)/CO2(aq)
-# Calcite
- Alpha_18O_Calcite/H2O(l) Log_alpha_18O_Calcite/H2O(l)
- Alpha_13C_Calcite/CO2(aq) Log_alpha_13C_Calcite/CO2(aq)
- Alpha_13C_Calcite/CO2(g) Log_alpha_13C_Calcite/CO2(g)
- Alpha_14C_Calcite/CO2(aq) Log_alpha_14C_Calcite/CO2(aq)
- Alpha_14C_Calcite/CO2(g) Log_alpha_14C_Calcite/CO2(g)
-# Pyrite
- Alpha_34S_Pyrite/HS- Log_alpha_34S_Pyrite/HS-
-# CH4(g)
- Alpha_D_CH4(g)/H2O(l) Log_alpha_D_CH4(g)/H2O(l)
- Alpha_T_CH4(g)/H2O(l) Log_alpha_T_CH4(g)/H2O(l)
- Alpha_13C_CH4(g)/CO2(aq) Log_alpha_13C_CH4(g)/CO2(aq) #?
- Alpha_14C_CH4(g)/CO2(aq) Log_alpha_14C_CH4(g)/CO2(aq) #?
-# H2S(g)
- Alpha_D_H2S(g)/H2S(aq) Log_alpha_D_H2S(g)/H2S(aq)
- Alpha_T_H2S(g)/H2S(aq) Log_alpha_T_H2S(g)/H2S(aq)
- Alpha_34S_H2S(g)/H2S(aq) Log_alpha_34S_H2S(g)/H2S(aq)
-# Gypsum
- Alpha_34S_Gypsum/SO4-2 Log_alpha_34S_Gypsum/SO4-2
-# Anhydrite
- Alpha_34S_Anhydrite/SO4-2 Log_alpha_34S_Anhydrite/SO4-2
-# N2(g)
- Alpha_15N_N2(g)/N2(aq) Log_alpha_15N_N2(g)/N2(aq)
-# NH3(g)
- Alpha_D_NH3(g)/H2O(l) Log_alpha_D_NH3(g)/H2O(l)
- #Alpha_T_NH3(g)/H2O(l) Log_alpha_T_NH3(g)/H2O(l)
- Alpha_15N_NH3(g)/NH3(aq) Log_alpha_15N_NH3(g)/NH3(aq)
-
-NAMED_EXPRESSIONS
-#
-# OH- fractionation factors
-#
-Log_alpha_D_OH-/H2O(l) # 1000ln(alpha(25C)) = -1435
- # 13.5 C
- -ln_alpha1000 -1435.0
-
-Log_alpha_T_OH-/H2O(l) # 1000ln(alpha(25C)) = -2870
- # 13.5 C
- -ln_alpha1000 -2870.0
-
-Log_alpha_18O_OH-/H2O(l) # 1000ln(alpha(25C)) = -37.8
- # 25 C
- -ln_alpha1000 -37.777
-#
-# H3O- fractionation factors
-#
-Log_alpha_D_H3O+/H2O(l) # 1000ln(alpha(25C)) = 40.8
- # 13.5 C
- -ln_alpha1000 40.82
-
-Log_alpha_T_H3O+/H2O(l) # 1000ln(alpha(25C)) = 81.6
- # 13.5 C
- -ln_alpha1000 81.64
-
-Log_alpha_18O_H3O+/H2O(l) # 1000ln(alpha(25C)) = 22.9
- # 25 C
- -ln_alpha1000 22.86
-#
-# O2(aq) fractionation factors
-#
-Log_alpha_18O_O2(aq)/H2O(l)
- -ln_alpha1000 0.0
-#
-# H2(aq) fractionation factors
-#
-Log_alpha_D_H2(aq)/H2O(l)
- -ln_alpha1000 0
-
-Log_alpha_T_H2(aq)/H2O(l)
- -ln_alpha1000 0
-#
-# CO2(aq) fractionation factors
-#
-Log_alpha_18O_CO2(aq)/H2O(l) # 1000ln(alpha(25C)) = 41.2
- # 0-100 C
- -ln_alpha1000 -21.9285 0.0 19.43596e3 0.0 -0.181115e6
-
-Log_alpha_13C_CO2(aq)/CO2(g) # 1000ln(alpha(25C)) -0.84
- # Deines and others (1974)
- -ln_alpha1000 -0.91 0.0 0.0 0.0 .0063e6
-
-Log_alpha_14C_CO2(aq)/CO2(g) # 1000ln(alpha(25C)) -0.84
- -add_logk Log_alpha_13C_CO2(aq)/CO2(g) 2
-#
-# HCO3- fractionation factors
-#
-Log_alpha_18O_HCO3-/H2O(l)
- -ln_alpha1000 0.0 #?
-
-Log_alpha_D_HCO3-/H2O(l)
- -ln_alpha1000 0.0
-
-Log_alpha_T_HCO3-/H2O(l)
- -ln_alpha1000 0.0
-
-Log_alpha_13C_HCO3-/CO2(g) # 1000ln(alpha(25C)) = 7.82
- # Deines and others (1974)
- -ln_alpha1000 -4.54 0.0 0.0 0.0 1.099e6
-
-Log_alpha_13C_HCO3-/CO2(aq) # 1000ln(alpha(25C)) = 8.7
- # 0-100 C
-# -ln_alpha1000 -3.63 0.0 0.0 0.0 1.0927e6
- -add_logk Log_alpha_13C_HCO3-/CO2(g) 1
- -add_logk Log_alpha_13C_CO2(aq)/CO2(g) -1
-
-Log_alpha_14C_HCO3-/CO2(g) # 1000ln(alpha(25C)) = 7.82
- # Deines and others (1974)
- -add_logk Log_alpha_13C_HCO3-/CO2(g) 2
-
-Log_alpha_14C_HCO3-/CO2(aq) # 1000ln(alpha(25C)) = 17.3
- # 0-100 C
-# -ln_alpha1000 -7.26 0.0 0.0 0.0 2.1854e6
- -add_logk Log_alpha_14C_HCO3-/CO2(g) 1
- -add_logk Log_alpha_14C_CO2(aq)/CO2(g) -1
-#
-# CO3-2 fractionation factors
-#
-Log_alpha_18O_CO3-2/H2O(l)
- -ln_alpha1000 0.0
-
-Log_alpha_13C_CO3-2/CO2(g) # 1000ln(alpha(25C))
- # Deines and others (1974)
- -ln_alpha1000 -3.4 0.0 0.0 0.0 0.870e6
-
-Log_alpha_13C_CO3-2/CO2(aq) # 1000ln(alpha(25C))
- # 0-100 C
-# -ln_alpha1000 -2.49 0.0 0.0 0.0 0.8637e6
- -add_logk Log_alpha_13C_CO3-2/CO2(g) 1
- -add_logk Log_alpha_13C_CO2(aq)/CO2(g) -1
-
-Log_alpha_14C_CO3-2/CO2(g) # 1000ln(alpha(25C))
- # Deines and others (1974)
- -add_logk Log_alpha_13C_CO3-2/CO2(g) 2
-
-Log_alpha_14C_CO3-2/CO2(aq) # 1000ln(alpha(25C))
- #
-# -ln_alpha1000 -2.49 0.0 0.0 0.0 0.8637e6
- -add_logk Log_alpha_14C_CO3-2/CO2(g) 1
- -add_logk Log_alpha_14C_CO2(aq)/CO2(g) -1
-#
-# CH4(aq) fractionation factors
-#
-Log_alpha_D_CH4(aq)/H2O(l)
- -ln_alpha1000 0
-
-Log_alpha_T_CH4(aq)/H2O(l)
- -ln_alpha1000 0
-
-Log_alpha_13C_CH4(aq)/CO2(aq)
- -ln_alpha1000 0
-
-Log_alpha_14C_CH4(aq)/CO2(aq)
- -ln_alpha1000 0
-#
-# HSO4- fractionation factors
-#
-Log_alpha_D_HSO4-/H2O(l)
- -ln_alpha1000 0
-
-Log_alpha_T_HSO4-/H2O(l)
- -ln_alpha1000 0
-
-Log_alpha_34S_HSO4-/SO4-2
- -ln_alpha1000 0.0
-#
-# S-2 fractionation factors
-#
-Log_alpha_34S_S-2/HS-
- -ln_alpha1000 0.0
-#
-# HS- fractionation factors
-#
-Log_alpha_D_HS-/H2O(l)
- -ln_alpha1000 0
-
-Log_alpha_T_HS-/H2O(l)
- -ln_alpha1000 0
-
-Log_alpha_34S_HS-/SO4-2
- -ln_alpha1000 0.0
-#
-# H2S fractionation factors
-#
-Log_alpha_D_H2S(aq)/H2O(l)
- -ln_alpha1000 0
-
-Log_alpha_T_H2S(aq)/H2O(l)
- -ln_alpha1000 0
-
-Log_alpha_34S_H2S(aq)/HS-
- -ln_alpha1000 0.0
-#
-# NO2- fractionation factors
-#
-Log_alpha_15N_NO2-/NO3-
- -ln_alpha1000 0.0
-#
-# N2(aq) fractionation factors
-#
-Log_alpha_15N_N2(aq)/NO3-
- -ln_alpha1000 0.0
-#
-# NH3(aq) fractionation factors
-#
-Log_alpha_D_NH3(aq)/H2O(l)
- -ln_alpha1000 0
-
-Log_alpha_T_NH3(aq)/H2O(l)
- -ln_alpha1000 0
-
-Log_alpha_15N_NH3(aq)/NO3-
- -ln_alpha1000 0
-#
-# NH4+ fractionation factors
-#
-Log_alpha_D_NH4+/H2O(l)
- -ln_alpha1000 0
-
-Log_alpha_T_NH4+/H2O(l)
- -ln_alpha1000 0
-
-Log_alpha_15N_NH4+/NH3(aq)
- -ln_alpha1000 0
-#
-# H2O(g) fractionation factors
-#
-Log_alpha_D_H2O(g)/H2O(l) # 1000ln(alpha(25C)) = -76.4
- # 0-100 C
- -ln_alpha1000 -52.612 0.0 76.248e3 0.0 -24.844e6
-
-Log_alpha_T_H2O(g)/H2O(l) # 1000ln(alpha(25C)) = -152.7
- # 0-100 C
- -ln_alpha1000 -105.224 0.0 152.496e3 0.0 -49.688e6
-
-Log_alpha_18O_H2O(g)/H2O(l) # 1000ln(alpha(25C)) = -9.3
- # 0-100 C
- -ln_alpha1000 2.0667 0.0 0.4156e3 0.0 -1.137e6
-#
-# O2(g) fractionaton factors
-#
-Log_alpha_18O_O2(g)/H2O(l)
- -ln_alpha1000 0.0
-#
-# H2(g) fractionaton factors
-#
-Log_alpha_D_H2(g)/H2O(l)
- -ln_alpha1000 0
-
-Log_alpha_T_H2(g)/H2O(l)
- -ln_alpha1000 0
-#
-# CO2(g) fractionaton factors
-#
-Log_alpha_18O_CO2(g)/H2O(l) # 1000ln(alpha(25C)) = 40.151
- # 0-100 C
- -ln_alpha1000 -19.97 0.0 17.9942e3 0.0 -0.0206e6
- # Battinga, written commun. 1973, cited in Friedman and O'Neill
-
-Log_alpha_13C_CO2(g)/CO2(aq) # 1000ln(alpha(25C)) = 0.84
- # 0-100 C
- -ln_alpha1000 0.91 0.0 0.0 0.0 -0.0063e6
-
-Log_alpha_14C_CO2(g)/CO2(aq) # 1000ln(alpha(25C)) = 1.7
- # 0-100 C
- -ln_alpha1000 1.82 0.0 0.0 0.0 -0.0126e6
-#
-# CO2-Calcite fractionation factors
-#
-#Log_alpha_18O_CO2(aq)/Calcite # 1000ln(alpha(25C)) = 13.6
-# # 0-100 C
-# -ln_alpha1000 -4.7383 0.0 12.05276e3 0.0 -1.963915e6
-Log_alpha_18O_Calcite/H2O(l) # 1000ln(alpha(25C)) = 28.38
- # O'Neil, Clayton and Mayeda (1969)
- -ln_alpha1000 -2.89 0 0 0 2.78e6
-
-Log_alpha_13C_Calcite/CO2(g) # 1000ln(alpha(25C))
- # Deines and others (1974)
- -ln_alpha1000 -3.63 0.0 0.0 0.0 1.194e6
-
-Log_alpha_13C_Calcite/CO2(aq) # 1000ln(alpha(25C))
- # Deines and others (1974)
- -add_logk Log_alpha_13C_Calcite/CO2(g) 1
- -add_logk Log_alpha_13C_CO2(aq)/CO2(g) -1
-
-Log_alpha_14C_Calcite/CO2(g) # 1000ln(alpha(25C))
- -add_logk Log_alpha_13C_Calcite/CO2(g) 2
-
-Log_alpha_14C_Calcite/CO2(aq) # 1000ln(alpha(25C))
- # Deines and others (1974)
- -add_logk Log_alpha_14C_Calcite/CO2(g) 1
- -add_logk Log_alpha_14C_CO2(aq)/CO2(g) -1
-#
-# Pyrite fractionation factors
-#
-Log_alpha_34S_Pyrite/HS-
- -ln_alpha1000 0
-#
-# CH4(g) fractionation factors
-#
-Log_alpha_D_CH4(g)/H2O(l) #?
- -ln_alpha1000 0.0
-
-Log_alpha_T_CH4(g)/H2O(l) #?
- -ln_alpha1000 0.0
-
-Log_alpha_13C_CH4(g)/CO2(aq) #?
- -ln_alpha1000 0.0
-
-Log_alpha_14C_CH4(g)/CO2(aq) #?
- -ln_alpha1000 0.0
-#
-# H2S(g) fractionation factors
-#
-Log_alpha_D_H2S(g)/H2S(aq)
- -ln_alpha1000 0
-
-Log_alpha_T_H2S(g)/H2S(aq)
- -ln_alpha1000 0
-
-Log_alpha_34S_H2S(g)/H2S(aq)
- -ln_alpha1000 0
-#
-# Gypsum fractionation factors
-#
-Log_alpha_34S_Gypsum/SO4-2
- -ln_alpha1000 0
-#
-# Anhydrite fractionation factors
-#
-Log_alpha_34S_Anhydrite/SO4-2
- -ln_alpha1000 0
-#
-# N2(g) fractionation factors
-#
-Log_alpha_15N_N2(g)/N2(aq)
- -ln_alpha1000 0
-#
-# NH3(g) fractionation factors
-#
-Log_alpha_D_NH3(g)/H2O(l) #?
- -ln_alpha1000 0
-
-Log_alpha_T_NH3(g)/H2O(l) #?
- -ln_alpha1000 0
-
-Log_alpha_15N_NH3(g)/NH3(aq)
- -ln_alpha1000 0
-
-###############################################################################################
-CALCULATE_VALUES
-###############################################################################################
-#
-# Ratios
-#
-R(D)
- -start
-10 ratio = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 100
-30 total_D = TOT("D")
-40 total_H = TOT("H")
-50 ratio = total_D/total_H
-100 save ratio
- -end
-
-R(T) ??
- -start
-10 ratio = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 100
-30 total_T = TOT("T")
-40 total_water = MOL("H2O")
-50 ratio = total_T/total_water
-100 save ratio
- -end
-
-R(18O)
- -start
-10 ratio = -9999.999
-20 if (TOT("[18O]") <= 0) THEN GOTO 100
-30 total_18O = TOT("[18O]")
-40 total_16O = TOT("O")
-50 ratio = total_18O/total_16O
-100 save ratio
- -end
-
-R(13C)
- -start
-10 ratio = -9999.999
-20 if (TOT("[13C]") <= 0) THEN GOTO 100
-30 total_13C = TOT("[13C]")
-40 total_12C = TOT("C")
-50 ratio = total_13C/total_12C
-100 save ratio
- -end
-
-R(14C)
- -start
-10 ratio = -9999.999
-20 if (TOT("[14C]") <= 0) THEN GOTO 100
-30 total_14C = TOT("[14C]")
-40 total_C = TOT("C")
-50 ratio = total_14C/total_C
-100 save ratio
- -end
-
-R(15N)
- -start
-10 ratio = -9999.999
-20 if (TOT("[15N]") <= 0) THEN GOTO 100
-30 total_15N = TOT("[15N]")
-40 total_14N = TOT("N")
-50 ratio = total_15N/total_14N
-100 save ratio
- -end
-
-R(34S)
- -start
-10 ratio = -9999.999
-20 if (TOT("[34S]") <= 0) THEN GOTO 100
-30 total_34S = TOT("[34S]")
-40 total_32S = TOT("S")
-50 ratio = total_34S/total_32S
-100 save ratio
- -end
-#
-# H2O(l) ratios
-#
-R(D)_H2O(l)
- -start
-10 ratio = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 100
-30 total_D = sum_species("{H,D,T}2{O,[18O]}","D")
-40 total_H = sum_species("{H,D,T}2{O,[18O]}","H")
-50 if (total_H <= 0) THEN GOTO 100
-60 ratio = total_D/total_H
-100 save ratio
- -end
-
-R(T)_H2O(l)
- -start
-10 ratio = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 100
-30 total_T = sum_species("{H,D,T}2{O,[18O]}","T")
-40 total_H = sum_species("{H,D,T}2{O,[18O]}","H")
-50 if (total_H <= 0) THEN GOTO 100
-60 ratio = total_T/total_H
-100 save ratio
- -end
-
-R(18O)_H2O(l)
- -start
-10 ratio = -9999.999
-20 if (TOT("[18O]") <= 0) THEN GOTO 100
-30 total_18O = sum_species("{H,D,T}2[18O]","[18O]")
-40 total_16O = sum_species("{H,D,T}2O","O")
-50 if (total_16O <= 0) THEN GOTO 100
-60 ratio = total_18O/total_16O
-100 save ratio
- -end
-#
-# OH- ratios
-#
-R(D)_OH-
- -start
-10 ratio = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 100
-30 total_D = sum_species("*{O,[18O]}D*","D")
-40 total_H = sum_species("*{O,[18O]}H*","H")
-50 if (total_H <= 0) THEN GOTO 100
-60 ratio = total_D/total_H
-100 save ratio
- -end
-
-R(T)_OH-
- -start
-10 ratio = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 100
-30 total_T = sum_species("*{O,[18O]}T*","T")
-40 total_H = sum_species("*{O,[18O]}H*","H")
-50 if (total_H <= 0) THEN GOTO 100
-60 ratio = total_T/total_H
-100 save ratio
- -end
-
-R(18O)_OH-
- -start
-10 ratio = -9999.999
-20 if (TOT("[18O]") <= 0) THEN GOTO 100
-30 total_18O = sum_species("*[18O]{H,D,T}*","[18O]")
-40 total_16O = sum_species("*O{H,D,T}*","O")
-50 ratio = total_18O/total_16O
-100 save ratio
- -end
-
-#
-# H3O+ ratios
-#
-R(D)_H3O+
- -start
-10 ratio = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 100
-30 total_D = sum_species("{H,D,T}3{O,[18O]}+","D")
-40 total_H = sum_species("{H,D,T}3{O,[18O]}+","H")
-50 ratio = total_D/total_H
-100 save ratio
- -end
-
-R(T)_H3O+
- -start
-10 ratio = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 100
-30 total_T = sum_species("{H,D,T}3{O,[18O]}+","T")
-40 total_H = sum_species("{H,D,T}3{O,[18O]}+","H")
-50 ratio = total_T/total_H
-100 save ratio
- -end
-
-R(18O)_H3O+
- -start
-10 ratio = -9999.999
-20 if (TOT("[18O]") <= 0) THEN GOTO 100
-30 total_18O = sum_species("{H,D,T}3{O,[18O]}+","[18O]")
-40 total_16O = sum_species("{H,D,T}3{O,[18O]}+","O")
-50 ratio = total_18O/total_16O
-100 save ratio
- -end
-
-#
-# O2(aq) ratios
-#
-R(18O)_O2(aq)
- -start
-10 ratio = -9999.999
-20 if (TOT("[18O]") <= 0) THEN GOTO 100
-30 total_18O = sum_species("{O,[18O]}2","[18O]")
-40 total_O = sum_species("{O,[18O]}2","O")
-50 if (total_O <= 0) THEN GOTO 100
-60 ratio = total_18O/total_O
-100 save ratio
- -end
-#
-# H2(aq) ratios
-#
-R(D)_H2(aq)
- -start
-10 ratio = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 100
-30 total_D = sum_species("{H,D,T}2","D")
-40 total_H = sum_species("{H,D,T}2","H")
-50 if (total_H <= 0) THEN GOTO 100
-60 ratio = total_D/total_H
-100 save ratio
- -end
-
-R(T)_H2(aq)
- -start
-10 ratio = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 100
-30 total_T = sum_species("{H,D,T}2","T")
-40 total_H = sum_species("{H,D,T}2","H")
-50 if (total_H <= 0) THEN GOTO 100
-60 ratio = total_T/total_H
-100 save ratio
- -end
-#
-# CO2(aq) ratios
-#
-R(13C)_CO2(aq)
- -start
-10 ratio = -9999.999
-20 if (TOT("[13C]") <= 0) THEN GOTO 100
-30 total_13C = sum_species("[13C]{O,[18O]}2","[13C]")
-40 total_12C = sum_species("C{O,[18O]}2","C")
-50 if (total_12C <= 0) THEN GOTO 100
-60 ratio = total_13C/total_12C
-100 save ratio
- -end
-
-R(14C)_CO2(aq)
- -start
-10 ratio = -9999.999
-20 if (TOT("[14C]") <= 0) THEN GOTO 100
-30 total_14C = sum_species("[14C]{O,[18O]}2","[14C]")
-40 total_12C = sum_species("C{O,[18O]}2","C")
-50 if (total_12C <= 0) THEN GOTO 100
-60 ratio = total_14C/total_12C
-100 save ratio
- -end
-
-R(18O)_CO2(aq)
- -start
-10 ratio = -9999.999
-20 if (TOT("[18O]") <= 0) THEN GOTO 100
-30 if (TOT("C") <= 0) THEN GOTO 100
-40 total_18O = sum_species("{C,[13C],[14C]}{O,[18O]}2","[18O]")
-50 total_16O = sum_species("{C,[13C],[14C]}{O,[18O]}2","O")
-60 if (total_16O <= 0) THEN GOTO 100
-70 ratio = total_18O/total_16O
-100 save ratio
- -end
-#
-# HCO3- ratios
-#
-R(D)_HCO3-
- -start
-10 ratio = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 100
-30 if (TOT("C") <= 0) THEN GOTO 100
-40 total_D = sum_species("*D{C,[13C],[14C]}{O,[18O]}3*","D")
-50 total_H = sum_species("*H{C,[13C],[14C]}{O,[18O]}3*","H")
-60 if (total_H <= 0) THEN GOTO 100
-70 ratio = total_D/total_H
-100 save ratio
- -end
-
-R(T)_HCO3-
- -start
-10 ratio = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 100
-30 if (TOT("C") <= 0) THEN GOTO 100
-40 total_T = sum_species("*T{C,[13C],[14C]}{O,[18O]}3*","T")
-50 total_H = sum_species("*H{C,[13C],[14C]}{O,[18O]}3*","H")
-60 if (total_H <= 0) THEN GOTO 100
-70 ratio = total_T/total_H
-100 save ratio
- -end
-
-R(18O)_HCO3-
- -start
-10 ratio = -9999.999
-20 if (TOT("[18O]") <= 0) THEN GOTO 100
-30 if (TOT("C") <= 0) THEN GOTO 100
-40 total_18O = sum_species("*{H,D,T}{C,[13C],[14C]}{O,[18O]}3*","[18O]")
-50 total_16O = sum_species("*{H,D,T}{C,[13C],[14C]}{O,[18O]}3*","O")
-60 if (total_16O <= 0) THEN GOTO 100
-70 ratio = total_18O/total_16O
-100 save ratio
- -end
-
-R(13C)_HCO3-
- -start
-10 ratio = -9999.999
-20 if (TOT("[13C]") <= 0) THEN GOTO 100
-30 total_13C = sum_species("*{H,D,T}[13C]{O,[18O]}3*","[13C]")
-40 total_12C = sum_species("*{H,D,T}C{O,[18O]}3*","C")
-50 if (total_12C <= 0) THEN GOTO 100
-60 ratio = total_13C/total_12C
-100 save ratio
- -end
-
-R(14C)_HCO3-
- -start
-10 ratio = -9999.999
-20 if (TOT("[14C]") <= 0) THEN GOTO 100
-30 total_14C = sum_species("*{H,D,T}[14C]{O,[18O]}3*","[14C]")
-40 total_12C = sum_species("*{H,D,T}C{O,[18O]}3*","C")
-50 if (total_12C <= 0) THEN GOTO 100
-60 ratio = total_14C/total_12C
-100 save ratio
- -end
-#
-# CO3-2 ratios
-#
-R(18O)_CO3-2
- -start
-10 ratio = -9999.999
-20 if (TOT("[18O]") <= 0) THEN GOTO 100
-30 if (TOT("C") <= 0) THEN GOTO 100
-40 total_18O = sum_species("*{C,[13C],[14C]}{O,[18O]}3*","[18O]") - sum_species("*{H,D,T}{C,[13C],[14C]}{O,[18O]}3*","[18O]")
-50 total_16O = sum_species("*{C,[13C],[14C]}{O,[18O]}3*","O") - sum_species("*{H,D,T}{C,[13C],[14C]}{O,[18O]}3*","O")
-60 if (total_16O <= 0) THEN GOTO 100
-70 ratio = total_18O/total_16O
-100 save ratio
- -end
-
-R(13C)_CO3-2
- -start
-10 ratio = -9999.999
-20 if (TOT("[13C]") <= 0) THEN GOTO 100
-30 total_13C = sum_species("*[13C]{O,[18O]}3*","[13C]") - sum_species("*{H,D,T}[13C]{O,[18O]}3*","[13C]")
-40 total_12C = sum_species("*C{O,[18O]}3*","C") - sum_species("*{H,D,T}C{O,[18O]}3*","C")
-50 if (total_12C <= 0) THEN GOTO 100
-60 ratio = total_13C/total_12C
-100 save ratio
- -end
-
-R(14C)_CO3-2
- -start
-10 ratio = -9999.999
-20 if (TOT("[14C]") <= 0) THEN GOTO 100
-30 total_14C = sum_species("*[14C]{O,[18O]}3*","[14C]") - sum_species("*{H,D,T}[14C]{O,[18O]}3*","[14C]")
-40 total_12C = sum_species("*C{O,[18O]}3*","C") - sum_species("*{H,D,T}C{O,[18O]}3*","C")
-50 if (total_12C <= 0) THEN GOTO 100
-60 ratio = total_14C/total_12C
-100 save ratio
- -end
-#
-# CH4(aq) ratios
-#
-R(D)_CH4(aq)
- -start
-10 ratio = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 100
-30 total_D = sum_species("{C,[13C],[14C]}{H,D,T}4","D")
-40 total_H = sum_species("{C,[13C],[14C]}{H,D,T}4","H")
-50 if (total_H <= 0) THEN GOTO 100
-60 ratio = total_D/total_H
-100 save ratio
- -end
-
-R(T)_CH4(aq)
- -start
-10 ratio = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 100
-30 total_T = sum_species("{C,[13C],[14C]}{H,D,T}4","T")
-40 total_H = sum_species("{C,[13C],[14C]}{H,D,T}4","H")
-50 if (total_H <= 0) THEN GOTO 100
-60 ratio = total_T/total_H
-100 save ratio
- -end
-
-R(13C)_CH4(aq)
- -start
-10 ratio = -9999.999
-20 if (TOT("[13C]") <= 0) THEN GOTO 100
-30 total_13C = sum_species("[13C]{H,D,T}4","[13C]")
-40 total_C = sum_species("C{H,D,T}4","C")
-50 if (total_C <= 0) THEN GOTO 100
-60 ratio = total_13C/total_C
-100 save ratio
- -end
-
-R(14C)_CH4(aq)
- -start
-10 ratio = -9999.999
-20 if (TOT("[14C]") <= 0) THEN GOTO 100
-30 total_14C = sum_species("[14C]{H,D,T}4","[14C]")
-40 total_C = sum_species("C{H,D,T}4","C")
-50 if (total_C <= 0) THEN GOTO 100
-60 ratio = total_14C/total_C
-100 save ratio
- -end
-#
-# SO4-2 ratios
-#
-R(34S)_SO4-2
- -start
-10 ratio = -9999.999
-20 if (TOT("[34S]") <= 0) THEN GOTO 100
-30 total_34S = sum_species("*[34S]O4*","[34S]") - sum_species("*{H,D,T}[34S]O4*","[34S]")
-40 total_S = sum_species("*SO4*","S") - sum_species("*{H,D,T}SO4*","S")
-50 if (total_S <= 0) THEN GOTO 100
-60 ratio = total_34S/total_S
-100 save ratio
- -end
-#
-# HSO4- ratios
-#
-R(D)_HSO4-
- -start
-10 ratio = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 100
-30 total_D = sum_species("*D{S,[34S]}O4*","D")
-40 total_H = sum_species("*H{S,[34S]}O4*","H")
-50 if (total_H <= 0) THEN GOTO 100
-60 ratio = total_D/total_H
-100 save ratio
- -end
-
-R(T)_HSO4-
- -start
-10 ratio = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 100
-30 total_T = sum_species("*T{S,[34S]}O4*","T")
-40 total_H = sum_species("*H{S,[34S]}O4*","H")
-50 if (total_H <= 0) THEN GOTO 100
-60 ratio = total_T/total_H
-100 save ratio
- -end
-
-R(34S)_HSO4-
- -start
-10 ratio = -9999.999
-20 if (TOT("[34S]") <= 0) THEN GOTO 100
-30 total_34S = sum_species("*{H,D,T}[34S]O4*","[34S]")
-40 total_S = sum_species("*{H,D,T}SO4*","S")
-50 if (total_S <= 0) THEN GOTO 100
-60 ratio = total_34S/total_S
-100 save ratio
- -end
-#
-# S-2 ratios
-#
-R(34S)_S-2
- -start
-10 ratio = -9999.999
-20 if (TOT("[34S](-2)") <= 0) THEN GOTO 100
-30 total_34S = MOL("[34S]-2")
-40 total_S = MOL("S-2")
-50 if (total_S <= 0) THEN GOTO 100
-60 ratio = total_34S/total_S
-100 save ratio
- -end
-#
-# HS- ratios
-#
-R(D)_HS-
- -start
-10 ratio = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 100
-30 total_D = sum_species("*D{S,[34S]}*","D") - sum_species("*D{S,[34S]}O4*","D")
-40 total_H = sum_species("*H{S,[34S]}*","H") - sum_species("*H{S,[34S]}O4*","H")
-50 if (total_H <= 0) THEN GOTO 100
-60 ratio = total_D/total_H
-100 save ratio
- -end
-
-R(T)_HS-
- -start
-10 ratio = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 100
-30 total_T = sum_species("*T{S,[34S]}*","T") - sum_species("*T{S,[34S]}O4*","T")
-40 total_H = sum_species("*H{S,[34S]}*","H") - sum_species("*H{S,[34S]}O4*","H")
-50 if (total_H <= 0) THEN GOTO 100
-60 ratio = total_T/total_H
-100 save ratio
- -end
-
-R(34S)_HS-
- -start
-10 ratio = -9999.999
-20 if (TOT("[34S]") <= 0) THEN GOTO 100
-30 total_34S = sum_species("*{H,D,T}[34S]*","[34S]") - sum_species("*{H,D,T}[34S]O4*","[34S]")
-40 total_S = sum_species("*{H,D,T}S*","S") - sum_species("*{H,D,T}SO4*","S")
-50 if (total_S <= 0) THEN GOTO 100
-60 ratio = total_34S/total_S
-100 save ratio
- -end
-#
-# H2S ratios
-#
-R(D)_H2S(aq)
- -start
-10 ratio = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 100
-30 total_D = sum_species("*{H,D,T}2{S,[34S]}*","D") - sum_species("*{H,D,T}2{S,[34S]}O4*","D")
-40 total_S = sum_species("*{H,D,T}2{S,[34S]}*","H") - sum_species("*{H,D,T}2{S,[34]}SO4*","H")
-50 if (total_H <= 0) THEN GOTO 100
-60 ratio = total_D/total_H
-100 save ratio
- -end
-
-R(T)_H2S(aq)
- -start
-10 ratio = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 100
-30 total_T = sum_species("{H,D,T}2{S,[34S]}","T")
-40 total_H = sum_species("{H,D,T}2{S,[34S]}","H")
-50 if (total_H <= 0) THEN GOTO 100
-60 ratio = total_T/total_H
-100 save ratio
- -end
-
-R(34S)_H2S(aq)
- -start
-10 ratio = -9999.999
-20 if (TOT("[34S]") <= 0) THEN GOTO 100
-30 total_34S = sum_species("{H,D,T}2[34S]","[34S]")
-40 total_S = sum_species("{H,D,T}2S","S")
-50 if (total_S <= 0) THEN GOTO 100
-60 ratio = total_34S/total_S
-100 save ratio
- -end
-#
-# NO3- ratios
-#
-R(15N)_NO3-
- -start
-10 ratio = -9999.999
-20 if (TOT("[15N]") <= 0) THEN GOTO 100
-30 total_15N = TOT("[15N](5)")
-40 total_N = TOT("N(5)")
-50 if (total_N <= 0) THEN GOTO 100
-60 ratio = total_15N/total_N
-100 save ratio
- -end
-#
-# NO2- ratios
-#
-R(15N)_NO2-
- -start
-10 ratio = -9999.999
-20 if (TOT("[15N]") <= 0) THEN GOTO 100
-30 total_15N = TOT("[15N](3)")
-40 total_N = TOT("N(3)")
-50 if (total_N <= 0) THEN GOTO 100
-60 ratio = total_15N/total_N
-100 save ratio
- -end
-#
-# N2(aq) ratios
-#
-R(15N)_N2(aq)
- -start
-10 ratio = -9999.999
-20 if (TOT("[15N]") <= 0) THEN GOTO 100
-30 total_15N = TOT("[15N](0)")
-40 total_N = TOT("N(0)")
-50 if (total_N <= 0) THEN GOTO 100
-60 ratio = total_15N/total_N
-100 save ratio
- -end
-#
-# NH3(aq) ratios
-#
-R(D)_NH3(aq)
- -start
-10 ratio = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 100
-30 total_D = sum_species("{[15N],N}{H,D,T}3","D")
-40 total_H = sum_species("{[15N],N}{H,D,T}3","H")
-50 if (total_H <= 0) THEN GOTO 100
-60 ratio = total_D/total_H
-100 save ratio
- -end
-
-R(T)_NH3(aq)
- -start
-10 ratio = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 100
-30 total_T = sum_species("{[15N],N}{H,D,T}3","T")
-40 total_H = sum_species("{[15N],N}{H,D,T}3","H")
-50 if (total_H <= 0) THEN GOTO 100
-60 ratio = total_T/total_H
-100 save ratio
- -end
-
-R(15N)_NH3(aq)
- -start
-10 ratio = -9999.999
-20 if (TOT("[15N]") <= 0) THEN GOTO 100
-30 total_15N = sum_species("[15N]{H,D,T}3","[15N]")
-40 total_N = sum_species("N{H,D,T}3","N")
-50 if (total_N <= 0) THEN GOTO 100
-60 ratio = total_15N/total_N
-100 save ratio
- -end
-#
-# NH4+ ratios
-#
-R(D)_NH4+
- -start
-10 ratio = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 100
-30 total_D = sum_species("*{[15N],N}{H,D,T}4*","D")
-40 total_H = sum_species("*{[15N],N}{H,D,T}4*","H")
-50 if (total_H <= 0) THEN GOTO 100
-60 ratio = total_D/total_H
-100 save ratio
- -end
-
-R(T)_NH4+
- -start
-10 ratio = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 100
-30 total_T = sum_species("*{[15N],N}{H,D,T}4*","T")
-40 total_H = sum_species("*{[15N],N}{H,D,T}4*","H")
-50 if (total_H <= 0) THEN GOTO 100
-60 ratio = total_T/total_H
-100 save ratio
- -end
-
-R(15N)_NH4+
- -start
-10 ratio = -9999.999
-20 if (TOT("[15N]") <= 0) THEN GOTO 100
-30 total_15N = sum_species("*[15N]{H,D,T}4*","[15N]")
-40 total_N = sum_species("*N{H,D,T}4*","N")
-50 if (total_N <= 0) THEN GOTO 100
-60 ratio = total_15N/total_N
-100 save ratio
- -end
-#
-# Ratios for minerals and gases
-#
-#
-# H2O(g) ratios
-#
-R(D)_H2O(g)
- -start
-10 ratio = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 1000
-30 if (GAS("H2O(g)") <= 0) THEN GOTO 1000
-40 total_D = SUM_GAS("{H,D,T}2{O,[18O]}", "D")
-50 total_H = SUM_GAS("{H,D,T}2{O,[18O]}", "H")
-60 if (total_h <= 0) THEN GOTO 1000
-70 ratio = total_D/total_H
-1000 save ratio
- -end
-
-R(T)_H2O(g)
- -start
-10 ratio = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 1000
-30 if (GAS("H2O(g)") <= 0) THEN GOTO 1000
-40 total_T = SUM_GAS("{H,D,T}2{O,[18O]}", "T")
-50 total_H = SUM_GAS("{H,D,T}2{O,[18O]}", "H")
-60 if (total_h <= 0) THEN GOTO 1000
-70 ratio = total_T/total_H
-1000 save ratio
- -end
-
-R(18O)_H2O(g)
- -start
-10 ratio = -9999.999
-20 if (TOT("[18O]") <= 0) THEN GOTO 1000
-30 if (GAS("H2O(g)") <= 0) THEN GOTO 1000
-40 total_18O = SUM_GAS("{H,D,T}2[18O]", "[18O]")
-50 total_O = SUM_GAS("{H,D,T}2O", "O")
-60 if (total_O <= 0) THEN GOTO 1000
-70 ratio = total_18O/total_O
-1000 save ratio
- -end
-#
-# O2(g) ratios
-#
-R(18O)_O2(g)
- -start
-10 ratio = -9999.999
-20 if (TOT("[18O]") <= 0) THEN GOTO 1000
-30 if (GAS("O2(g)") <= 0) THEN GOTO 1000
-40 total_18O = SUM_GAS("{O,[18O]}2", "[18O]")
-50 total_O = SUM_GAS("{O,[18O]}2", "O")
-60 if (total_O <= 0) THEN GOTO 1000
-70 ratio = total_18O/total_O
-1000 save ratio
- -end
-#
-# H2(g) ratios
-#
-R(D)_H2(g)
- -start
-10 ratio = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 1000
-30 if (GAS("H2(g)") <= 0) THEN GOTO 1000
-40 total_D = SUM_GAS("{H,D,T}2", "D")
-50 total_H = SUM_GAS("{H,D,T}2", "H")
-60 if (total_H <= 0) THEN GOTO 1000
-70 ratio = total_D/total_H
-1000 save ratio
- -end
-
-R(T)_H2(g)
- -start
-10 ratio = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 1000
-30 if (GAS("H2(g)") <= 0) THEN GOTO 1000
-40 total_T = SUM_GAS("{H,D,T}2", "T")
-50 total_H = SUM_GAS("{H,D,T}2", "H")
-60 if (total_H <= 0) THEN GOTO 1000
-70 ratio = total_T/total_H
-1000 save ratio
- -end
-#
-# CO2(g) ratios
-#
-R(18O)_CO2(g)
- -start
-10 ratio = -9999.999
-20 if (TOT("[18O]") <= 0) THEN GOTO 1000
-30 if (GAS("CO2(g)") <= 0) THEN GOTO 1000
-40 total_18O = SUM_GAS("{C,[13C],[14C]}{O,[18O]}2", "[18O]")
-50 total_O = SUM_GAS("{C,[13C],[14C]}{O,[18O]}2", "O")
-60 if (total_O <= 0) THEN GOTO 1000
-70 ratio = total_18O/total_O
-1000 save ratio
- -end
-
-R(13C)_CO2(g)
- -start
-10 ratio = -9999.999
-20 if (TOT("[13C]") <= 0) THEN GOTO 1000
-30 if (GAS("CO2(g)") <= 0) THEN GOTO 1000
-40 if (GAS("[13C]O2(g)") <= 0) THEN GOTO 1000
-50 total_13C = SUM_GAS("[13C]{O,[18O]}2", "[13C]")
-60 total_C = SUM_GAS("C{O,[18O]}2", "C")
-70 if (total_C <= 0) THEN GOTO 1000
-80 ratio = total_13C/total_C
-1000 save ratio
- -end
-
-R(14C)_CO2(g)
- -start
-10 ratio = -9999.999
-20 if (TOT("[14C]") <= 0) THEN GOTO 1000
-30 if (GAS("CO2(g)") <= 0) THEN GOTO 1000
-40 if (GAS("[14C]O2(g)") <= 0) THEN GOTO 1000
-50 total_14C = SUM_GAS("[14C]{O,[18O]}2", "[14C]")
-60 total_C = SUM_GAS("C{O,[18O]}2", "C")
-70 if (total_C <= 0) THEN GOTO 1000
-80 ratio = total_14C/total_C
-1000 save ratio
- -end
-#
-# Calcite ratios
-#
-R(18O)_Calcite
- -start
-10 ratio = -9999.999
-20 if (TOT("[18O]") <= 0) THEN GOTO 1000
-30 if (S_S("Calcite") <= 0) THEN GOTO 1000
-40 total_18O = SUM_S_S("Calcite", "[18O]")
-50 total_O = SUM_S_S("Calcite", "O")
-60 if (total_O <= 0) THEN GOTO 1000
-70 ratio = total_18O/total_O
-1000 save ratio
- -end
-
-R(13C)_Calcite
- -start
-10 ratio = -9999.999
-20 if (TOT("[13C]") <= 0) THEN GOTO 1000
-30 if (S_S("Calcite") <= 0) THEN GOTO 1000
-40 total_13C = SUM_S_S("Calcite", "[13C]")
-50 total_C = SUM_S_S("Calcite", "C")
-60 if (total_C <= 0) THEN GOTO 1000
-70 ratio = total_13C/total_C
-1000 save ratio
- -end
-
-R(14C)_Calcite
- -start
-10 ratio = -9999.999
-20 if (TOT("[14C]") <= 0) THEN GOTO 1000
-30 if (S_S("Calcite") <= 0) THEN GOTO 1000
-40 total_14C = SUM_S_S("Calcite", "[14C]")
-50 total_C = SUM_S_S("Calcite", "C")
-60 if (total_C <= 0) THEN GOTO 1000
-70 ratio = total_14C/total_C
-1000 save ratio
- -end
-#
-# Pyrite ratios
-#
-R(34S)_Pyrite
- -start
-10 ratio = -9999.999
-20 if (TOT("[34S]") <= 0) THEN GOTO 1000
-30 if (S_S("Pyrite") <= 0) THEN GOTO 1000
-40 total_34S = SUM_S_S("Pyrite", "[34S]")
-50 total_S = SUM_S_S("Pyrite", "S")
-60 if (total_S <= 0) THEN GOTO 1000
-70 ratio = total_34S/total_S
-1000 save ratio
- -end
-#
-# CH4(g) ratios
-#
-R(D)_CH4(g)
- -start
-10 ratio = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 1000
-30 if (GAS("CH4(g)") <= 0) THEN GOTO 1000
-40 total_D = SUM_GAS("{C,[13C],[14C]}{H,D,T}4", "D")
-50 total_H = SUM_GAS("{C,[13C],[14C]}{H,D,T}4", "H")
-60 if (total_H <= 0) THEN GOTO 1000
-70 ratio = total_D/total_H
-1000 save ratio
- -end
-
-R(T)_CH4(g)
- -start
-10 ratio = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 1000
-30 if (GAS("CH4(g)") <= 0) THEN GOTO 1000
-40 total_T = SUM_GAS("{C,[13C],[14C]}{H,D,T}4", "T")
-50 total_H = SUM_GAS("{C,[13C],[14C]}{H,D,T}4", "H")
-60 if (total_H <= 0) THEN GOTO 1000
-70 ratio = total_T/total_H
-1000 save ratio
- -end
-
-R(13C)_CH4(g)
- -start
-10 ratio = -9999.999
-20 if (TOT("[13C]") <= 0) THEN GOTO 1000
-30 if (GAS("CH4(g)") <= 0) THEN GOTO 1000
-40 total_13C = SUM_GAS("[13C]{H,D,T}4", "[13C]")
-50 total_C = SUM_GAS("C{H,D,T}4", "C")
-60 if (total_C <= 0) THEN GOTO 1000
-70 ratio = total_13C/total_C
-1000 save ratio
- -end
-
-R(14C)_CH4(g)
- -start
-10 ratio = -9999.999
-20 if (TOT("[14C]") <= 0) THEN GOTO 1000
-30 if (GAS("CH4(g)") <= 0) THEN GOTO 1000
-40 total_14C = SUM_GAS("[14C]{H,D,T}4", "[14C]")
-50 total_C = SUM_GAS("C{H,D,T}4", "C")
-60 if (total_C <= 0) THEN GOTO 1000
-70 ratio = total_14C/total_C
-1000 save ratio
- -end
-#
-# H2S(g) ratios
-#
-R(D)_H2S(g)
- -start
-10 ratio = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 1000
-30 if (GAS("H2S(g)") <= 0) THEN GOTO 1000
-40 total_D = SUM_GAS("{H,D,T}2{S,[34S]}", "D")
-50 total_H = SUM_GAS("{H,D,T}2{S,[34S]}", "H")
-60 if (total_H <= 0) THEN GOTO 1000
-70 ratio = total_D/total_H
-1000 save ratio
- -end
-
-R(T)_H2S(g)
- -start
-10 ratio = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 1000
-30 if (GAS("H2S(g)") <= 0) THEN GOTO 1000
-40 total_T = SUM_GAS("{H,D,T}2{S,[34S]}", "T")
-50 total_H = SUM_GAS("{H,D,T}2{S,[34S]}", "H")
-60 if (total_H <= 0) THEN GOTO 1000
-70 ratio = total_T/total_H
-1000 save ratio
- -end
-
-R(34S)_H2S(g)
- -start
-10 ratio = -9999.999
-20 if (TOT("[34S]") <= 0) THEN GOTO 1000
-30 if (GAS("H2S(g)") <= 0) THEN GOTO 1000
-40 total_34S = SUM_GAS("{H,D,T}2[34S]", "[34S]")
-50 total_S = SUM_GAS("{H,D,T}2S", "S")
-60 if (total_S <= 0) THEN GOTO 1000
-70 ratio = total_34S/total_S
-1000 save ratio
- -end
-#
-# Gypsum ratios
-#
-R(34S)_Gypsum
- -start
-10 ratio = -9999.999
-20 if (TOT("[34S]") <= 0) THEN GOTO 1000
-30 if (S_S("Gypsum") <= 0) THEN GOTO 1000
-40 total_34S = SUM_S_S("Gypsum", "[34S]")
-50 total_S = SUM_S_S("Gypsum", "S")
-60 if (total_S <= 0) THEN GOTO 1000
-70 ratio = total_34S/total_S
-1000 save ratio
- -end
-#
-# Anhydrite ratios
-#
-R(34S)_Anhydrite
- -start
-10 ratio = -9999.999
-20 if (TOT("[34S]") <= 0) THEN GOTO 1000
-30 if (S_S("Anhydrite") <= 0) THEN GOTO 1000
-40 total_34S = SUM_S_S("Anhydrite", "[34S]")
-50 total_S = SUM_S_S("Anhydrite", "S")
-60 if (total_S <= 0) THEN GOTO 1000
-70 ratio = total_34S/total_S
-1000 save ratio
- -end
-#
-# N2(g) ratios
-#
-R(15N)_N2(g)
- -start
-10 ratio = -9999.999
-20 if (TOT("[15N]") <= 0) THEN GOTO 1000
-30 if (GAS("N2(g)") <= 0) THEN GOTO 1000
-40 total_15N = SUM_GAS("{[15N],N}2", "[15N]")
-50 total_N = SUM_GAS("{[15N],N}2", "N")
-60 if (total_N <= 0) THEN GOTO 1000
-70 ratio = total_15N/total_N
-1000 save ratio
- -end
-#
-# NH3(g) ratios
-#
-R(D)_NH3(g)
- -start
-10 ratio = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 1000
-30 if (GAS("NH3(g)") <= 0) THEN GOTO 1000
-40 total_D = SUM_GAS("{[15N],N}{H,D,T}3", "D")
-50 total_H = SUM_GAS("{[15N],N}{H,D,T}3", "H")
-60 if (total_H <= 0) THEN GOTO 1000
-70 ratio = total_D/total_H
-1000 save ratio
- -end
-
-R(T)_NH3(g)
- -start
-10 ratio = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 1000
-30 if (GAS("NH3(g)") <= 0) THEN GOTO 1000
-40 total_T = SUM_GAS("{[15N],N}{H,D,T}3", "T")
-50 total_H = SUM_GAS("{[15N],N}{H,D,T}3", "H")
-60 if (total_H <= 0) THEN GOTO 1000
-70 ratio = total_T/total_H
-1000 save ratio
- -end
-
-R(15N)_NH3(g)
- -start
-10 ratio = -9999.999
-20 if (TOT("[15N]") <= 0) THEN GOTO 1000
-30 if (GAS("NH3(g)") <= 0) THEN GOTO 1000
-40 total_15N = SUM_GAS("[15N]{H,D,T}3", "[15N]")
-50 total_N = SUM_GAS("N{H,D,T}3", "N")
-60 if (total_N <= 0) THEN GOTO 1000
-70 ratio = total_15N/total_N
-1000 save ratio
- -end
-###############################################################################################
-CALCULATE_VALUES
-###############################################################################################
-#
-# Alphas
-#
-#
-# H2O(l) ratios
-#
-#
-# OH- ratios
-#
-Alpha_D_OH-/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 1000
-30 r1 = CALC_VALUE("R(D)_OH-")
-40 r2 = CALC_VALUE("R(D)_H2O(l)")
-50 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_T_OH-/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 1000
-30 r1 = CALC_VALUE("R(T)_OH-")
-40 r2 = CALC_VALUE("R(T)_H2O(l)")
-50 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_18O_OH-/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("[18O]") <= 0) THEN GOTO 1000
-30 r1 = CALC_VALUE("R(18O)_OH-")
-40 r2 = CALC_VALUE("R(18O)_H2O(l)")
-50 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-#
-# H3O+ ratios
-#
-Alpha_D_H3O+/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 1000
-30 r1 = CALC_VALUE("R(D)_H3O+")
-40 r2 = CALC_VALUE("R(D)_H2O(l)")
-50 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_T_H3O+/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 1000
-30 r1 = CALC_VALUE("R(T)_H3O+")
-40 r2 = CALC_VALUE("R(T)_H2O(l)")
-50 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_18O_H3O+/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("[18O]") <= 0) THEN GOTO 1000
-30 r1 = CALC_VALUE("R(18O)_H3O+")
-40 r2 = CALC_VALUE("R(18O)_H2O(l)")
-50 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-#
-# O2(aq) ratios
-#
-Alpha_18O_O2(aq)/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("[18O]") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(18O)_O2(aq)")
-60 r2 = CALC_VALUE("R(18O)_H2O(l)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-#
-# H2(aq) ratios
-#
-Alpha_D_H2(aq)/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(D)_H2(aq)")
-60 r2 = CALC_VALUE("R(D)_H2O(l)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_T_H2(aq)/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(T)_H2(aq)")
-60 r2 = CALC_VALUE("R(T)_H2O(l)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-#
-# CO2(aq) ratios
-#
-Alpha_18O_CO2(aq)/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("[18O]") <= 0) THEN GOTO 1000
-30 if (TOT("C") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(18O)_CO2(aq)")
-50 r2 = CALC_VALUE("R(18O)_H2O(l)")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_13C_CO2(aq)/CO2(g)
- -start
-10 alpha = -9999.999
-20 if (TOT("[13C]") <= 0) THEN GOTO 1000
-30 if (TOT("C") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(13C)_CO2(aq)")
-50 r2 = CALC_VALUE("R(13C)_CO2(g)")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_14C_CO2(aq)/CO2(g)
- -start
-10 alpha = -9999.999
-20 if (TOT("[14C]") <= 0) THEN GOTO 1000
-30 if (TOT("C") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(14C)_CO2(aq)")
-50 r2 = CALC_VALUE("R(14C)_CO2(g)")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-#
-# HCO3- ratios
-#
-Alpha_D_HCO3-/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 1000
-30 if (TOT("C") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(D)_HCO3-")
-50 r2 = CALC_VALUE("R(D)_H2O(l)")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_T_HCO3-/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 1000
-30 if (TOT("C") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(T)_HCO3-")
-50 r2 = CALC_VALUE("R(T)_H2O(l)")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_18O_HCO3-/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("[18O]") <= 0) THEN GOTO 1000
-30 if (TOT("C") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(18O)_HCO3-")
-50 r2 = CALC_VALUE("R(18O)_H2O(l)")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_18O_HCO3-/CO2(aq)
- -start
-10 alpha = -9999.999
-20 if (TOT("[18O]") <= 0) THEN GOTO 1000
-30 if (TOT("C") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(18O)_HCO3-")
-50 r2 = CALC_VALUE("R(18O)_CO2(aq)")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_13C_HCO3-/CO2(g)
- -start
-10 alpha = -9999.999
-20 if (TOT("[13C]") <= 0) THEN GOTO 1000
-30 if (GAS("CO2(g)") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(13C)_HCO3-")
-50 r2 = CALC_VALUE("R(13C)_CO2(g)")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_13C_HCO3-/CO2(aq)
- -start
-10 alpha = -9999.999
-20 if (TOT("[13C]") <= 0) THEN GOTO 1000
-30 if (TOT("C") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(13C)_HCO3-")
-50 r2 = CALC_VALUE("R(13C)_CO2(aq)")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_14C_HCO3-/CO2(g)
- -start
-10 alpha = -9999.999
-20 if (TOT("[14C]") <= 0) THEN GOTO 1000
-30 if (GAS("CO2(g)") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(14C)_HCO3-")
-50 r2 = CALC_VALUE("R(14C)_CO2(g)")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_14C_HCO3-/CO2(aq)
- -start
-10 alpha = -9999.999
-20 if (TOT("[14C]") <= 0) THEN GOTO 1000
-30 if (TOT("C") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(14C)_HCO3-")
-50 r2 = CALC_VALUE("R(14C)_CO2(aq)")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-#
-# CO3-2 ratios
-#
-Alpha_18O_CO3-2/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("[18O]") <= 0) THEN GOTO 1000
-30 if (TOT("C") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(18O)_CO3-2")
-50 r2 = CALC_VALUE("R(18O)_H2O(l)")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_18O_CO3-2/CO2(aq)
- -start
-10 alpha = -9999.999
-20 if (TOT("[18O]") <= 0) THEN GOTO 1000
-30 if (TOT("C") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(18O)_CO3-2")
-50 r2 = CALC_VALUE("R(18O)_CO2(aq)")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_13C_CO3-2/CO2(g)
- -start
-10 alpha = -9999.999
-20 if (TOT("[13C]") <= 0) THEN GOTO 1000
-30 if (GAS("CO2(g)") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(13C)_CO3-2")
-50 r2 = CALC_VALUE("R(13C)_CO2(g)")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_13C_CO3-2/CO2(aq) #?
- -start
-10 alpha = -9999.999
-20 if (TOT("[13C]") <= 0) THEN GOTO 1000
-30 if (TOT("C") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(13C)_CO3-2")
-50 r2 = CALC_VALUE("R(13C)_CO2(aq)")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_14C_CO3-2/CO2(g)
- -start
-10 alpha = -9999.999
-20 if (TOT("[14C]") <= 0) THEN GOTO 1000
-30 if (GAS("CO2(g)") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(14C)_CO3-2")
-50 r2 = CALC_VALUE("R(14C)_CO2(g)")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_14C_CO3-2/CO2(aq) #?
- -start
-10 alpha = -9999.999
-20 if (TOT("[14C]") <= 0) THEN GOTO 1000
-30 if (TOT("C") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(14C)_CO3-2")
-50 r2 = CALC_VALUE("R(14C)_CO2(aq)")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-#
-# CH4(aq) ratios
-#
-Alpha_D_CH4(aq)/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 1000
-30 if (TOT("C") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(D)_CH4(aq)")
-60 r2 = CALC_VALUE("R(D)_H2O(l)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_T_CH4(aq)/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 1000
-30 if (TOT("C") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(T)_CH4(aq)")
-60 r2 = CALC_VALUE("R(T)_H2O(l)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_13C_CH4(aq)/CO2(aq)
- -start
-10 alpha = -9999.999
-20 if (TOT("[13C]") <= 0) THEN GOTO 1000
-30 if (TOT("C") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(13C)_CH4(aq)")
-60 r2 = CALC_VALUE("R(13C)_CO2(aq)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_14C_CH4(aq)/CO2(aq)
- -start
-10 alpha = -9999.999
-20 if (TOT("[14C]") <= 0) THEN GOTO 1000
-30 if (TOT("C") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(14C)_CH4(aq)")
-60 r2 = CALC_VALUE("R(14C)_CO2(aq)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-#
-# HSO4-2 ratios
-#
-Alpha_D_HSO4-/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 1000
-30 if (TOT("S(6)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(D)_HSO4-")
-60 r2 = CALC_VALUE("R(D)_H2O(l)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_T_HSO4-/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 1000
-30 if (TOT("S(6)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(T)_HSO4-")
-60 r2 = CALC_VALUE("R(T)_H2O(l)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_34S_HSO4-/SO4-2
- -start
-10 alpha = -9999.999
-20 if (TOT("[34S]") <= 0) THEN GOTO 1000
-30 if (TOT("S(6)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(34S)_HSO4-")
-60 r2 = CALC_VALUE("R(34S)_SO4-2")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-#
-# S-2 ratios
-#
-Alpha_34S_S-2/HS-
- -start
-10 alpha = -9999.999
-20 if (TOT("[34S]") <= 0) THEN GOTO 1000
-30 if (TOT("S(-2)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(34S)_S-2")
-60 r2 = CALC_VALUE("R(34S)_HS-")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-#
-# HS- ratios
-#
-Alpha_D_HS-/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 1000
-30 if (TOT("S(-2)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(D)_HS-")
-60 r2 = CALC_VALUE("R(D)_H2O(l)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_T_HS-/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 1000
-30 if (TOT("S(-2)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(T)_HS-")
-60 r2 = CALC_VALUE("R(T)_H2O(l)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_34S_HS-/SO4-2
- -start
-10 alpha = -9999.999
-20 if (TOT("[34S]") <= 0) THEN GOTO 1000
-30 if (TOT("S(6)") <= 0) THEN GOTO 1000
-40 if (TOT("S(-2)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(34S)_HS-")
-60 r2 = CALC_VALUE("R(34S)_SO4-2")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-#
-# H2S ratios
-#
-Alpha_D_H2S(aq)/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 1000
-30 if (TOT("S(-2)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(D)_H2S(aq)")
-60 r2 = CALC_VALUE("R(D)_H2O(l)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_D_H2S(aq)/HS-
- -start
-10 alpha = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 1000
-30 if (TOT("S(-2)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(D)_H2S(aq)")
-60 r2 = CALC_VALUE("R(D)_HS-")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_T_H2S(aq)/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 1000
-30 if (TOT("S(-2)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(T)_H2S(aq)")
-60 r2 = CALC_VALUE("R(T)_H2O(l)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_T_H2S(aq)/HS-
- -start
-10 alpha = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 1000
-30 if (TOT("S(-2)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(T)_H2S(aq)")
-60 r2 = CALC_VALUE("R(T)_HS-")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_34S_H2S(aq)/HS-
- -start
-10 alpha = -9999.999
-20 if (TOT("[34S]") <= 0) THEN GOTO 1000
-30 if (TOT("S(-2)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(34S)_H2S(aq)")
-60 r2 = CALC_VALUE("R(34S)_HS-")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-#
-# NO3- ratios
-#
-Alpha_15N_NO2-/NO3-
- -start
-10 alpha = -9999.999
-20 if (TOT("[15N]") <= 0) THEN GOTO 1000
-30 if (TOT("N(5)") <= 0) THEN GOTO 1000
-40 if (TOT("N(3)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(15N)_NO2-")
-60 r2 = CALC_VALUE("R(15N)_NO3-")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-#
-# N2(aq) ratios
-#
-Alpha_15N_N2(aq)/NO3-
- -start
-10 alpha = -9999.999
-20 if (TOT("[15N]") <= 0) THEN GOTO 1000
-30 if (TOT("N(5)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(15N)_N2(aq)")
-60 r2 = CALC_VALUE("R(15N)_NO3-")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-#
-# NH3(aq) ratios
-#
-Alpha_D_NH3(aq)/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 1000
-30 if (TOT("N(-3)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(D)_NH3(aq)")
-60 r2 = CALC_VALUE("R(D)_H2O(l)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_T_NH3(aq)/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 1000
-30 if (TOT("N(-3)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(T)_NH3(aq)")
-60 r2 = CALC_VALUE("R(T)_H2O(l)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_15N_NH3(aq)/NO3-
- -start
-10 alpha = -9999.999
-20 if (TOT("[15N]") <= 0) THEN GOTO 1000
-30 if (TOT("N(-3)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(15N)_NH3(aq)")
-60 r2 = CALC_VALUE("R(15)_NO3-")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-#
-# NH4+ ratios
-#
-Alpha_D_NH4+/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 1000
-30 if (TOT("N(-3)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(D)_NH4+")
-60 r2 = CALC_VALUE("R(D)_H2O(l)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_T_NH4+/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 1000
-30 if (TOT("N(-3)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(T)_NH4+")
-60 r2 = CALC_VALUE("R(T)_H2O(l)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_15N_NH4+/NO3-
- -start
-10 alpha = -9999.999
-20 if (TOT("[15N]") <= 0) THEN GOTO 1000
-30 if (TOT("N(5)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(15N)_NH4+")
-60 r2 = CALC_VALUE("R(15N)_NO3-")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_15N_NH4+/NH3(aq)
- -start
-10 alpha = -9999.999
-20 if (TOT("[15N]") <= 0) THEN GOTO 1000
-30 if (TOT("N(5)") <= 0) THEN GOTO 1000
-40 if (TOT("N(-3)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(15N)_NH4+")
-60 r2 = CALC_VALUE("R(15N)_NH3(aq)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-#
-# Ratios for minerals and gases
-#
-#
-# H2O(g) ratios
-#
-Alpha_D_H2O(g)/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 1000
-30 if (GAS("H2O(g)") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(D)_H2O(g)")
-50 r2 = CALC_VALUE("R(D)_H2O(l)")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_T_H2O(g)/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 1000
-30 if (GAS("H2O(g)") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(T)_H2O(g)")
-50 r2 = CALC_VALUE("R(T)_H2O(l)")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_18O_H2O(g)/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("[18O]") <= 0) THEN GOTO 1000
-30 if (GAS("H2O(g)") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(18O)_H2O(g)")
-50 r2 = CALC_VALUE("R(18O)_H2O(l)")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-#
-# O2(g) ratios
-#
-Alpha_18O_O2(aq)/O2(g)
- -start
-10 alpha = -9999.999
-20 if (TOT("[18O]") <= 0) THEN GOTO 1000
-30 if (GAS("O2(g)") <= 0) THEN GOTO 1000
-40 if (GAS("O[18O](g)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(18O)_O2(aq)")
-60 r2 = CALC_VALUE("R(18O)_O2(g)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_18O_O2(g)/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("[18O]") <= 0) THEN GOTO 1000
-30 if (GAS("O2(g)") <= 0) THEN GOTO 1000
-40 if (GAS("O[18O](g)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(18O)_O2(g)")
-60 r2 = CALC_VALUE("R(18O)_H2O(l)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-#
-# H2(g) ratios
-#
-Alpha_D_H2(g)/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 1000
-30 if (GAS("H2(g)") <= 0) THEN GOTO 1000
-40 if (GAS("HD(g)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(D)_H2(g)")
-60 r2 = CALC_VALUE("R(D)_H2O(l)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_T_H2(g)/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 1000
-30 if (GAS("H2(g)") <= 0) THEN GOTO 1000
-40 if (GAS("HT(g)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(T)_H2(g)")
-60 r2 = CALC_VALUE("R(T)_H2O(l)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_D_H2(aq)/H2(g)
- -start
-10 alpha = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 1000
-30 if (GAS("H2(g)") <= 0) THEN GOTO 1000
-40 if (GAS("HD(g)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(D)_H2(aq)")
-60 r2 = CALC_VALUE("R(D)_H2(g)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_T_H2(aq)/H2(g)
- -start
-10 alpha = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 1000
-30 if (GAS("H2(g)") <= 0) THEN GOTO 1000
-40 if (GAS("HT(g)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(T)_H2(aq)")
-60 r2 = CALC_VALUE("R(T)_H2(g)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-#
-# CO2(g) ratios
-#
-Alpha_18O_CO2(g)/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("[18O]") <= 0) THEN GOTO 1000
-30 if (GAS("CO2(g)") <= 0) THEN GOTO 1000
-40 if (GAS("CO[18O](g)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(18O)_CO2(g)")
-60 r2 = CALC_VALUE("R(18O)_H2O(l)")
-70 if (r1 <= 0) THEN GOTO 1000
-80 if (r2 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_18O_CO2(g)/CO2(aq)
- -start
-10 alpha = -9999.999
-20 if (TOT("[18O]") <= 0) THEN GOTO 1000
-30 if (GAS("CO2(g)") <= 0) THEN GOTO 1000
-40 if (GAS("CO[18O](g)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(18O)_CO2(g)")
-60 r2 = CALC_VALUE("R(18O)_CO2(aq)")
-70 if (r1 <= 0) THEN GOTO 1000
-80 if (r2 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_13C_CO2(g)/CO2(aq)
- -start
-10 alpha = -9999.999
-20 if (TOT("[13C]") <= 0) THEN GOTO 1000
-30 if (GAS("CO2(g)") <= 0) THEN GOTO 1000
-40 if (GAS("[13C]O2(g)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(13C)_CO2(g)")
-60 r2 = CALC_VALUE("R(13C)_CO2(aq)")
-70 if (r1 <= 0) THEN GOTO 1000
-80 if (r2 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_14C_CO2(g)/CO2(aq)
- -start
-10 alpha = -9999.999
-20 if (TOT("[14C]") <= 0) THEN GOTO 1000
-30 if (GAS("CO2(g)") <= 0) THEN GOTO 1000
-40 if (GAS("[134]O2(g)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(14C)_CO2(g)")
-60 r2 = CALC_VALUE("R(14C)_CO2(aq)")
-70 if (r1 <= 0) THEN GOTO 1000
-80 if (r2 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-#
-# Calcite ratios
-#
-Alpha_18O_Calcite/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("[18O]") <= 0) THEN GOTO 1000
-30 if (S_S("Calcite") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(18O)_Calcite")
-50 r2 = CALC_VALUE("R(18O)_H2O(l)")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_18O_Calcite/CO3-2
- -start
-10 alpha = -9999.999
-20 if (TOT("[18O]") <= 0) THEN GOTO 1000
-30 if (S_S("Calcite") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(18O)_Calcite")
-50 r2 = CALC_VALUE("R(18O)_CO3-2")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_13C_Calcite/CO2(g)
- -start
-10 alpha = -9999.999
-20 if (TOT("[13C]") <= 0) THEN GOTO 1000
-30 if (S_S("Calcite") <= 0) THEN GOTO 1000
-35 if (GAS("CO2(g)") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(13C)_Calcite")
-50 r2 = CALC_VALUE("R(13C)_CO2(g)")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_13C_Calcite/CO2(aq)
- -start
-10 alpha = -9999.999
-20 if (TOT("[13C]") <= 0) THEN GOTO 1000
-30 if (S_S("Calcite") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(13C)_Calcite")
-50 r2 = CALC_VALUE("R(13C)_CO2(aq)")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_13C_Calcite/CO3-2
- -start
-10 alpha = -9999.999
-20 if (TOT("[13C]") <= 0) THEN GOTO 1000
-30 if (S_S("Calcite") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(13C)_Calcite")
-50 r2 = CALC_VALUE("R(13C)_CO3-2")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_14C_Calcite/CO2(g)
- -start
-10 alpha = -9999.999
-20 if (TOT("[14C]") <= 0) THEN GOTO 1000
-30 if (S_S("Calcite") <= 0) THEN GOTO 1000
-35 if (GAS("CO2(g)") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(14C)_Calcite")
-50 r2 = CALC_VALUE("R(14C)_CO2(g)")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_14C_Calcite/CO2(aq)
- -start
-10 alpha = -9999.999
-20 if (TOT("[14C]") <= 0) THEN GOTO 1000
-30 if (S_S("Calcite") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(14C)_Calcite")
-50 r2 = CALC_VALUE("R(14C)_CO2(aq)")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_14C_Calcite/CO3-2
- -start
-10 alpha = -9999.999
-20 if (TOT("[14C]") <= 0) THEN GOTO 1000
-30 if (S_S("Calcite") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(14C)_Calcite")
-50 r2 = CALC_VALUE("R(14C)_CO3-2")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-#
-# Pyrite ratios
-#
-Alpha_34S_Pyrite/HS-
- -start
-10 alpha = -9999.999
-20 if (TOT("[34S]") <= 0) THEN GOTO 1000
-30 if (S_S("Pyrite") <= 0) THEN GOTO 1000
-40 r1 = CALC_VALUE("R(34S)_Pyrite")
-50 r2 = CALC_VALUE("R(34S)_HS-")
-60 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-#
-# CH4(g) ratios
-#
-Alpha_D_CH4(aq)/CH4(g)
- -start
-10 alpha = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 1000
-30 if (GAS("CH4(g)") <= 0) THEN GOTO 1000
-40 if (GAS("CH3D(g)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(D)_CH4(aq)")
-60 r2 = CALC_VALUE("R(D)_CH4(g)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_D_CH4(g)/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 1000
-30 if (GAS("CH4(g)") <= 0) THEN GOTO 1000
-40 if (GAS("CH3D(g)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(D)_CH4(g)")
-60 r2 = CALC_VALUE("R(D)_H2O(l)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_T_CH4(aq)/CH4(g)
- -start
-10 alpha = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 1000
-30 if (GAS("CH4(g)") <= 0) THEN GOTO 1000
-40 if (GAS("CH3T(g)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(T)_CH4(aq)")
-60 r2 = CALC_VALUE("R(T)_CH4(g)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_T_CH4(g)/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 1000
-30 if (GAS("CH4(g)") <= 0) THEN GOTO 1000
-40 if (GAS("CH3T(g)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(T)_CH4(g)")
-60 r2 = CALC_VALUE("R(T)_H2O(l)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_13C_CH4(g)/CO2(aq)
- -start
-10 alpha = -9999.999
-20 if (TOT("[13C]") <= 0) THEN GOTO 1000
-30 if (GAS("CH4(g)") <= 0) THEN GOTO 1000
-40 if (GAS("[13C]H4(g)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(13C)_CH4(g)")
-60 r2 = CALC_VALUE("R(13C)_CO2(aq)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_13C_CH4(aq)/CH4(g)
- -start
-10 alpha = -9999.999
-20 if (TOT("[13C]") <= 0) THEN GOTO 1000
-30 if (GAS("CH4(g)") <= 0) THEN GOTO 1000
-40 if (GAS("[13C]H4(g)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(13C)_CH4(aq)")
-60 r2 = CALC_VALUE("R(13C)_CH4(g)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_14C_CH4(g)/CO2(aq)
- -start
-10 alpha = -9999.999
-20 if (TOT("[14C]") <= 0) THEN GOTO 1000
-30 if (GAS("CH4(g)") <= 0) THEN GOTO 1000
-40 if (GAS("[14C]H4(g)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(14C)_CH4(g)")
-60 r2 = CALC_VALUE("R(14C)_CO2(aq)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_14C_CH4(aq)/CH4(g)
- -start
-10 alpha = -9999.999
-20 if (TOT("[14C]") <= 0) THEN GOTO 1000
-30 if (GAS("CH4(g)") <= 0) THEN GOTO 1000
-40 if (GAS("[14C]H4(g)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(14C)_CH4(aq)")
-60 r2 = CALC_VALUE("R(14C)_CH4(g)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-#
-# H2S(g) ratios
-#
-Alpha_D_H2S(g)/H2S(aq)
- -start
-10 alpha = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 1000
-30 if (TOT("S(-2)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(D)_H2S(g)")
-60 r2 = CALC_VALUE("R(D)_H2S(aq)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_T_H2S(g)/H2S(aq)
- -start
-10 alpha = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 1000
-30 if (TOT("S(-2)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(T)_H2S(g)")
-60 r2 = CALC_VALUE("R(T)_H2S(aq)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_34S_H2S(g)/H2S(aq)
- -start
-10 alpha = -9999.999
-20 if (TOT("[34S]") <= 0) THEN GOTO 1000
-30 if (TOT("S(6)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(34S)_H2S(g)")
-60 r2 = CALC_VALUE("R(34S)_H2S(aq)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-#
-# Gypsum ratios
-#
-Alpha_34S_Gypsum/SO4-2
- -start
-10 alpha = -9999.999
-20 if (TOT("[34S]") <= 0) THEN GOTO 1000
-30 if (TOT("S(6)") <= 0) THEN GOTO 1000
-40 if (S_S("Gypsum") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(34S)_Gypsum")
-60 r2 = CALC_VALUE("R(34S)_SO4-2")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-#
-# Anhydrite ratios
-#
-Alpha_34S_Anhydrite/SO4-2
- -start
-10 alpha = -9999.999
-20 if (TOT("[34S]") <= 0) THEN GOTO 1000
-30 if (TOT("S(6)") <= 0) THEN GOTO 1000
-40 if (S_S("Anhydrite") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(34S)_Anhydrite")
-60 r2 = CALC_VALUE("R(34S)_SO4-2")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-#
-# N2(g) ratios
-#
-Alpha_15N_N2(g)/N2(aq)
- -start
-10 alpha = -9999.999
-20 if (TOT("[15N]") <= 0) THEN GOTO 1000
-30 if (TOT("N(0)") <= 0) THEN GOTO 1000
-40 if (GAS("N2(g)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(15N)_N2(g)")
-60 r2 = CALC_VALUE("R(15N)_N2(aq)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-#
-# NH3(g) ratios
-#
-Alpha_D_NH3(g)/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("D") <= 0) THEN GOTO 1000
-30 if (TOT("N(-3)") <= 0) THEN GOTO 1000
-40 if (GAS("NH3(g)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(D)_NH3(g)")
-60 r2 = CALC_VALUE("R(D)_H2O(l)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_T_NH3(g)/H2O(l)
- -start
-10 alpha = -9999.999
-20 if (TOT("T") <= 0) THEN GOTO 1000
-30 if (TOT("N(-3)") <= 0) THEN GOTO 1000
-40 if (GAS("NH3(g)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(T)_NH3(g)")
-60 r2 = CALC_VALUE("R(T)_H2O(l)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-
-Alpha_15N_NH3(g)/NH3(aq)
- -start
-10 alpha = -9999.999
-20 if (TOT("[15N]") <= 0) THEN GOTO 1000
-30 if (TOT("N(-3)") <= 0) THEN GOTO 1000
-40 if (GAS("NH3(g)") <= 0) THEN GOTO 1000
-50 r1 = CALC_VALUE("R(15N)_NH3(g)")
-60 r2 = CALC_VALUE("R(15N)_NH3(aq)")
-70 if (r2 <= 0) THEN GOTO 1000
-80 if (r1 <= -9999) THEN GOTO 1000
-90 alpha = r1/r2
-1000 save alpha
- -end
-###############################################################################################
-SOLUTION_SPECIES
-###############################################################################################
-D2O = D2O
- -activity_water
- log_k 0
-
-HTO = HTO
- -activity_water
- log_k 0
-
-H2[18O] = H2[18O]
- -activity_water
- log_k 0
-
-CO2 = CO2
- log_k 0
-
-[13C]O2 = [13C]O2
- log_k 0
-
-[14C]O2 = [14C]O2
- log_k 0
-
-[34S]O4-2 = [34S]O4-2
- log_k 0.0
- -gamma 5.0000 -0.0400
-
-[15N]O3- = [15N]O3-
- log_k 0.0
- -gamma 3.0000 0.0000
-
-#
-# H2O reactions
-# last update July 31, 2006
-# checked September 19, 2006
-#
-0.5H2O + 0.5D2O = HDO
- log_k 0.301029995663 # log10(2)
- -activity_water
-
-HDO + HTO = DTO + H2O
- -mole_balance DTO
- log_k -0.301029995663 # log10(1/2)
- -activity_water
-
-2HTO = T2O + H2O
- -mole_balance T2O
- log_k -0.6020599913279623960 # log10(1/4)
- -activity_water
-
-H2[18O] + HDO = HD[18O] + H2O
- -mole_balance HD[18O]
- log_k 0.0
- -activity_water
-
-H2[18O] + HTO = HT[18O] + H2O
- -mole_balance HT[18O]
- log_k 0.0
- -activity_water
-
-DTO + H2[18O] = DT[18O] + H2O
- -mole_balance DT[18O]
- log_k 0.0
- -activity_water
-
-D2O + H2[18O] = D2[18O] + H2O
- -mole_balance D2[18O]
- log_k 0.0
- -activity_water
-
-H2[18O] + T2O = T2[18O] + H2O
- -mole_balance T2[18O]
- log_k 0.0
- -activity_water
-#
-# OH- reactions
-# last update July 31, 2006
-# checked September 19, 2006
-#
-OH- + HDO = OD- + H2O
- -mole_balance OD
- log_k -0.301029995663 # -log10(2)
- -add_logk Log_alpha_D_OH-/H2O(l) 1.0
- -gamma 3.5000 0.0000
-
-OH- + HTO = OT- + H2O
- -mole_balance OT
- log_k -0.301029995663 # -log10(2)
- -add_logk Log_alpha_T_OH-/H2O(l) 1.0
- -gamma 3.5000 0.0000
-
-OH- + H2[18O] = [18O]H- + H2O
- -mole_balance [18O]H
- -add_logk Log_alpha_18O_OH-/H2O(l) 1.0
- -gamma 3.5000 0.0000
-
-[18O]H- + OD- = [18O]D- + OH-
- -mole_balance [18O]D
- log_k 0.0
- -gamma 3.5000 0.0000
-
-[18O]H- + OT- = [18O]T- + OH-
- -mole_balance [18O]T
- log_k 0.0
- -gamma 3.5000 0.0000
-#
-# H3O+ reactions
-# last update July 31, 2006
-# checked September 19, 2006
-#
-H3O+ + HDO = H2DO+ + H2O
- -mole_balance H2DO
- log_k 0.176091259055 # log10(1.5)
- -add_logk Log_alpha_D_H3O+/H2O(l) 1.0
- -gamma 9.0000 0.0000
-
-2H2DO+ = HD2O+ + H3O+
- -mole_balance HD2O
- log_k -0.477121254719662 # log10(1/3)
- -gamma 9.0000 0.0000
-
-H2DO+ + HD2O+ = D3O+ + H3O+
- -mole_balance D3O
- log_k -0.954242509439324 # log10(1/9)
- -gamma 9.0000 0.0000
-
-H3O+ + HTO = H2TO+ + H2O
- -mole_balance H2TO
- log_k 0.176091259055 # log10(1.5)
- -add_logk Log_alpha_T_H3O+/H2O(l) 1.0
- -gamma 9.0000 0.0000
-
-2H2TO+ = HT2O+ + H3O+
- -mole_balance HT2O
- log_k -0.477121254719662 # log10(1/3)
- -gamma 9.0000 0.0000
-
-H2TO+ + HT2O+ = T3O+ + H3O+
- -mole_balance T3O
- log_k -0.954242509439324 # log10(1/9)
- -gamma 9.0000 0.0000
-
-H2TO+ + H2DO+ = HDTO+ + H3O+
- -mole_balance HDTO
- log_k -0.477121254719662 # log10(1/3)
- -gamma 9.0000 0.0000
-
-H2TO+ + HD2O+ = D2TO+ + H3O+
- -mole_balance D2TO
- log_k -0.477121254719662 # log10(1/3)
- -gamma 9.0000 0.0000
-
-H2DO+ + HT2O+ = DT2O+ + H3O+
- -mole_balance DT2O
- log_k -0.477121254719662 # log10(1/3)
- -gamma 9.0000 0.0000
-
-H3O+ + H2[18O] = H3[18O]+ + H2O
- -mole_balance H3[18O]
- -add_logk Log_alpha_18O_H3O+/H2O(l) 1.0
- -gamma 9.0000 0.0000
-
-H3[18O]+ + H2DO+ = H2D[18O]+ + H3O+
- -mole_balance H2D[18O]
- log_k 0.0
- -gamma 9.0000 0.0000
-
-H3[18O]+ + HD2O+ = HD2[18O]+ + H3O+
- -mole_balance HD2[18O]
- log_k 0.0
- -gamma 9.0000 0.0000
-
-H3[18O]+ + D3O+ = D3[18O]+ + H3O+
- -mole_balance D3[18O]
- log_k 0.0
- -gamma 9.0000 0.0000
-
-H3[18O]+ + H2TO+ = H2T[18O]+ + H3O+
- -mole_balance H2T[18O]
- log_k 0.0
- -gamma 9.0000 0.0000
-
-H3[18O]+ + HT2O+ = HT2[18O]+ + H3O+
- -mole_balance HT2[18O]
- log_k 0.0
- -gamma 9.0000 0.0000
-
-H3[18O]+ + T3O+ = T3[18O]+ + H3O+
- -mole_balance T3[18O]
- log_k 0.0
- -gamma 9.0000 0.0000
-
-H3[18O]+ + HDTO+ = HDT[18O]+ + H3O+
- -mole_balance HDT[18O]
- log_k 0.0
- -gamma 9.0000 0.0000
-
-H3[18O]+ + D2TO+ = D2T[18O]+ + H3O+
- -mole_balance D2T[18O]
- log_k 0.0
- -gamma 9.0000 0.0000
-
-H3[18O]+ + DT2O+ = DT2[18O]+ + H3O+
- -mole_balance DT2[18O]
- log_k 0.0
- -gamma 9.0000 0.0000
-
-#
-# O2 reactions
-# last update July 31, 2006
-# checked September 19, 2006
-#
-
-O2 + H2[18O] = O[18O] + H2O
- log_k 0.301029995663 # log10(2)
- -add_logk Log_alpha_18O_O2(aq)/H2O(l) 1.0
- -mole_balance O(0)[18O](0)
-
-2O[18O] = [18O]2 + O2
- log_k -0.602059991327962396 # -log10(4)
- -mole_balance [18O](0)2
-#
-# H2 reactions
-# last update July 31, 2006
-# checked September 19, 2006
-#
-H2 + HDO = HD + H2O
- -mole_balance H(0)D(0)
- -add_logk Log_alpha_D_H2(aq)/H2O(l) 1.0
-
-2HD = D2 + H2
- -mole_balance D(0)2
- log_k -0.602059991327962396 # -log10(4)
-
-H2 + HTO = HT + H2O
- -mole_balance H(0)T(0)
- -add_logk Log_alpha_T_H2(aq)/H2O(l) 1.0
-
-2HT = T2 + H2
- -mole_balance T(0)2
- log_k -0.602059991327962396 # -log10(4)
-
-HT + HD = DT + H2
- -mole_balance D(0)T(0)
- log_k -0.301029995663 # -log10(2)
-#
-# CO2 reactions
-# last update July 31, 2006
-# Checked September 19, 2006
-#
-CO2 + H2[18O] = CO[18O] + H2O
- log_k 0.301029995663 # log10(2)
- -add_logk Log_alpha_18O_CO2(aq)/H2O(l) 1.0
-
-2CO[18O] = C[18O]2 + CO2
- log_k -0.6020599913279623960 # log10(1/4)
-
-[13C]O2 + CO[18O] = [13C]O[18O] + CO2
- log_k 0
-
-[13C]O2 + C[18O]2 = [13C][18O]2 + CO2
- log_k 0
-
-[14C]O2 + CO[18O] = [14C]O[18O] + CO2
- log_k 0
-
-[14C]O2 + C[18O]2 = [14C][18O]2 + CO2
- log_k 0
-#
-# HCO3- reactions
-# last update July 31, 2006
-# Checked September 19, 2006
-#
-HCO3- + H2[18O] = HCO2[18O]- + H2O
- -add_logk Log_alpha_18O_HCO3-/H2O(l) 1.0
-
-HCO2[18O]- = HCO[18O]O-
-HCO2[18O]- = HC[18O]O2-
-2HCO2[18O]- = HCO[18O]2- + HCO3-
-HCO[18O]2- = HC[18O]O[18O]-
-HCO[18O]2- = HC[18O]2O-
-3HCO2[18O]- = HC[18O]3- + 2HCO3-
-
-HDO + HCO3- = DCO3- + H2O
- log_k -0.301029995663 # -log10(2)
- -add_logk Log_alpha_D_HCO3-/H2O(l) 1.0
-
-DCO3- + HCO2[18O]- = DCO2[18O]- + HCO3-
-DCO3- + HCO[18O]O- = DCO[18O]O- + HCO3-
-DCO3- + HC[18O]O2- = DC[18O]O2- + HCO3-
-DCO3- + HCO[18O]2- = DCO[18O]2- + HCO3-
-DCO3- + HC[18O]O[18O]- = DC[18O]O[18O]- + HCO3-
-DCO3- + HC[18O]2O- = DC[18O]2O- + HCO3-
-DCO3- + HC[18O]3- = DC[18O]3- + HCO3-
-
-HTO + HCO3- = TCO3- + H2O
- log_k -0.301029995663 # -log10(2)
- -add_logk Log_alpha_T_HCO3-/H2O(l) 1.0
-
-TCO3- + HCO2[18O]- = TCO2[18O]- + HCO3-
-TCO3- + HCO[18O]O- = TCO[18O]O- + HCO3-
-TCO3- + HC[18O]O2- = TC[18O]O2- + HCO3-
-TCO3- + HCO[18O]2- = TCO[18O]2- + HCO3-
-TCO3- + HC[18O]O[18O]- = TC[18O]O[18O]- + HCO3-
-TCO3- + HC[18O]2O- = TC[18O]2O- + HCO3-
-TCO3- + HC[18O]3- = TC[18O]3- + HCO3-
-
-HCO3- + [13C]O2 = H[13C]O3- + CO2
- -add_logk Log_alpha_13C_HCO3-/CO2(aq) 1.0
-
-H[13C]O3- + HCO2[18O]- = H[13C]O2[18O]- + HCO3-
-H[13C]O3- + HCO[18O]O- = H[13C]O[18O]O- + HCO3-
-H[13C]O3- + HC[18O]O2- = H[13C][18O]O2- + HCO3-
-H[13C]O3- + HCO[18O]2- = H[13C]O[18O]2- + HCO3-
-H[13C]O3- + HC[18O]O[18O]- = H[13C][18O]O[18O]- + HCO3-
-H[13C]O3- + HC[18O]2O- = H[13C][18O]2O- + HCO3-
-H[13C]O3- + HC[18O]3- = H[13C][18O]3- + HCO3-
-DCO3- + H[13C]O3- = D[13C]O3- + HCO3-
-H[13C]O3- + DCO2[18O]- = D[13C]O2[18O]- + HCO3-
-H[13C]O3- + DCO[18O]O- = D[13C]O[18O]O- + HCO3-
-H[13C]O3- + DC[18O]O2- = D[13C][18O]O2- + HCO3-
-H[13C]O3- + DCO[18O]2- = D[13C]O[18O]2- + HCO3-
-H[13C]O3- + DC[18O]O[18O]- = D[13C][18O]O[18O]- + HCO3-
-H[13C]O3- + DC[18O]2O- = D[13C][18O]2O- + HCO3-
-H[13C]O3- + DC[18O]3- = D[13C][18O]3- + HCO3-
-TCO3- + H[13C]O3- = T[13C]O3- + HCO3-
-H[13C]O3- + TCO2[18O]- = T[13C]O2[18O]- + HCO3-
-H[13C]O3- + TCO[18O]O- = T[13C]O[18O]O- + HCO3-
-H[13C]O3- + TC[18O]O2- = T[13C][18O]O2- + HCO3-
-H[13C]O3- + TCO[18O]2- = T[13C]O[18O]2- + HCO3-
-H[13C]O3- + TC[18O]O[18O]- = T[13C][18O]O[18O]- + HCO3-
-H[13C]O3- + TC[18O]2O- = T[13C][18O]2O- + HCO3-
-H[13C]O3- + TC[18O]3- = T[13C][18O]3- + HCO3-
-
-HCO3- + [14C]O2 = H[14C]O3- + CO2
- -add_logk Log_alpha_14C_HCO3-/CO2(aq) 1.0
-
-H[14C]O3- + HCO2[18O]- = H[14C]O2[18O]- + HCO3-
-H[14C]O3- + HCO[18O]O- = H[14C]O[18O]O- + HCO3-
-H[14C]O3- + HC[18O]O2- = H[14C][18O]O2- + HCO3-
-H[14C]O3- + HCO[18O]2- = H[14C]O[18O]2- + HCO3-
-H[14C]O3- + HC[18O]O[18O]- = H[14C][18O]O[18O]- + HCO3-
-H[14C]O3- + HC[18O]2O- = H[14C][18O]2O- + HCO3-
-H[14C]O3- + HC[18O]3- = H[14C][18O]3- + HCO3-
-DCO3- + H[14C]O3- = D[14C]O3- + HCO3-
-H[14C]O3- + DCO2[18O]- = D[14C]O2[18O]- + HCO3-
-H[14C]O3- + DCO[18O]O- = D[14C]O[18O]O- + HCO3-
-H[14C]O3- + DC[18O]O2- = D[14C][18O]O2- + HCO3-
-H[14C]O3- + DCO[18O]2- = D[14C]O[18O]2- + HCO3-
-H[14C]O3- + DC[18O]O[18O]- = D[14C][18O]O[18O]- + HCO3-
-H[14C]O3- + DC[18O]2O- = D[14C][18O]2O- + HCO3-
-H[14C]O3- + DC[18O]3- = D[14C][18O]3- + HCO3-
-TCO3- + H[14C]O3- = T[14C]O3- + HCO3-
-H[14C]O3- + TCO2[18O]- = T[14C]O2[18O]- + HCO3-
-H[14C]O3- + TCO[18O]O- = T[14C]O[18O]O- + HCO3-
-H[14C]O3- + TC[18O]O2- = T[14C][18O]O2- + HCO3-
-H[14C]O3- + TCO[18O]2- = T[14C]O[18O]2- + HCO3-
-H[14C]O3- + TC[18O]O[18O]- = T[14C][18O]O[18O]- + HCO3-
-H[14C]O3- + TC[18O]2O- = T[14C][18O]2O- + HCO3-
-H[14C]O3- + TC[18O]3- = T[14C][18O]3- + HCO3-
-#
-# CO3-2 reactions
-# last update July 31, 2006
-# Checked September 19, 2006
-#
-CO3-2 + H2[18O] = CO2[18O]-2 + H2O
- log_k 0.477121254719 # log10(3)
- -add_logk Log_alpha_18O_CO3-2/H2O(l) 1.0
-
-2CO2[18O]-2 = CO[18O]2-2 + CO3-2
- log_k -0.477121254719 # -log10(3)
-
-CO2[18O]-2 + CO[18O]2-2 = C[18O]3-2 + CO3-2
- log_k -0.954242509439324 # log10(1/9)
-
-CO3-2 + [13C]O2 = [13C]O3-2 + CO2
- -add_logk Log_alpha_13C_CO3-2/CO2(aq) 1.0
-
-[13C]O3-2 + CO2[18O]-2 = [13C]O2[18O]-2 + CO3-2
- log_k 0.0
-
-[13C]O3-2 + CO[18O]2-2 = [13C]O[18O]2-2 + CO3-2
- log_k 0.0
-
-[13C]O3-2 + C[18O]3-2 = [13C][18O]3-2 + CO3-2
- log_k 0.0
-
-CO3-2 + [14C]O2 = [14C]O3-2 + CO2
- -add_logk Log_alpha_14C_CO3-2/CO2(aq) 1.0
-
-[14C]O3-2 + CO2[18O]-2 = [14C]O2[18O]-2 + CO3-2
- log_k 0.0
-
-[14C]O3-2 + CO[18O]2-2 = [14C]O[18O]2-2 + CO3-2
- log_k 0.0
-
-[14C]O3-2 + C[18O]3-2 = [14C][18O]3-2 + CO3-2
- log_k 0.0
-#
-# CH4 reactions
-# Updated September 19, 2006
-# Checked September 19, 2006
-#
-CH4 + HDO = CH3D + H2O
- log_k 0.301029995663981198 # log10(2)
- -add_logk Log_alpha_D_CH4(aq)/H2O(l) 1.0
-
-2CH3D = CH2D2 + CH4
- log_k -0.42596873227228 # log10(3/8)
-
-3CH3D = CHD3 + 2CH4
- log_k -1.20411998265 # log10(1/16)
-
-4CH3D = CD4 + 3CH4
- log_k -2.408239965311 # log10(1/256)
-
-CH4 + HTO = CH3T + H2O
- log_k 0.301029995663981198 # log10(2)
- -add_logk Log_alpha_T_CH4(aq)/H2O(l) 1.0
-
-2CH3T = CH2T2 + CH4
- log_k -0.42596873227228 # log10(3/8)
-
-3CH3T = CHT3 + 2CH4
- log_k -1.20411998265 # log10(1/16)
-
-4CH3T = CT4 + 3CH4
- log_k -2.408239965311 # log10(1/256)
-#
-# Added mixed DT C methane species May 19, 2006
-#
-CH3T + CHD3 = CD3T + CH4
- log_k -0.602059991327962396 # -log10(4)
-
-CH2T2 + CH2D2 = CD2T2 + CH4
- log_k -0.7781512503836 # -log10(6)
-
-CHT3 + CH3D = CDT3 + CH4
- log_k -0.602059991327962396 # -log10(4)
-
-[13C]O2 + CH4 = [13C]H4 + CO2
- -add_logk Log_alpha_13C_CH4(aq)/CO2(aq) 1.0
-
-[13C]H4 + CH3D = [13C]H3D + CH4
-[13C]H4 + CH2D2 = [13C]H2D2 + CH4
-[13C]H4 + CHD3 = [13C]HD3 + CH4
-[13C]H4 + CD4 = [13C]D4 + CH4
-[13C]H4 + CH3T = [13C]H3T + CH4
-[13C]H4 + CH2T2 = [13C]H2T2 + CH4
-[13C]H4 + CHT3 = [13C]HT3 + CH4
-[13C]H4 + CT4 = [13C]T4 + CH4
-[13C]H4 + CD3T = [13C]D3T + CH4
-[13C]H4 + CD2T2 = [13C]D2T2 + CH4
-[13C]H4 + CDT3 = [13C]DT3 + CH4
-
-[14C]O2 + CH4 = [14C]H4 + CO2
- -add_logk Log_alpha_14C_CH4(aq)/CO2(aq) 1.0
-#
-# Added mixed DT 14C methane species May 19, 2006
-#
-[14C]H4 + CH3D = [14C]H3D + CH4
-[14C]H4 + CH2D2 = [14C]H2D2 + CH4
-[14C]H4 + CHD3 = [14C]HD3 + CH4
-[14C]H4 + CD4 = [14C]D4 + CH4
-[14C]H4 + CH3T = [14C]H3T + CH4
-[14C]H4 + CH2T2 = [14C]H2T2 + CH4
-[14C]H4 + CHT3 = [14C]HT3 + CH4
-[14C]H4 + CT4 = [14C]T4 + CH4
-[14C]H4 + CD3T = [14C]D3T + CH4
-[14C]H4 + CD2T2 = [14C]D2T2 + CH4
-[14C]H4 + CDT3 = [14C]DT3 + CH4
-#
-# HSO4- reactions
-# Updated September 28, 2006
-# Checked September 28, 2006
-#
-HSO4- + HDO = DSO4- + H2O
- log_k -0.301029995663 # -log10(2)
- -add_logk Log_alpha_D_HSO4-/H2O(l) 1.0
- -mole_balance DS(6)O4-
-
-HSO4- + HTO = TSO4- + H2O
- log_k -0.301029995663 # -log10(2)
- -add_logk Log_alpha_T_HSO4-/H2O(l) 1.0
- -mole_balance TS(6)O4-
-
-[34S]O4-2 + HSO4- = H[34S]O4- + SO4-2
- -add_logk Log_alpha_34S_HSO4-/SO4-2 1.0
- -mole_balance H[34S](6)O4-
-
-H[34S]O4- + DSO4- = D[34S]O4- + HSO4-
- -mole_balance D[34S](6)O4
-
-H[34S]O4- + TSO4- = T[34S]O4- + HSO4-
- -mole_balance T[34S](6)O4-
-#
-# S-2 reactions
-#
-S-2 + H[34S]- = [34S]-2 + HS-
- -add_logk Log_alpha_34S_S-2/HS- 1.0
- -mole_balance [34S](-2)
- -gamma 5.0000 0.0000
-#
-# HS- reactions
-#
-HS- + HDO = DS- + H2O
- log_k -0.301029995663 # -log10(2)
- -add_logk Log_alpha_D_HS-/H2O(l) 1.0
- -mole_balance DS(-2)
- -gamma 3.5000 0.0000
-
-HS- + HTO = TS- + H2O
- log_k -0.301029995663 # -log10(2)
- -add_logk Log_alpha_T_HS-/H2O(l) 1.0
- -mole_balance TS(-2)
- -gamma 3.5000 0.0000
-
-HS- + [34S]O4-2 = H[34S]- + SO4-2
- -add_logk Log_alpha_34S_HS-/SO4-2 1.0
- -mole_balance H[34S](-2)
- -gamma 3.5000 0.0000
-
-H[34S]- + DS- = D[34S]- + HS-
- -gamma 3.5000 0.0000
- -mole_balance D[34S](-2)
-
-H[34S]- + TS- = T[34S]- + HS-
- -gamma 3.5000 0.0000
- -mole_balance T[34S](-2)
-#
-# H2S reactions
-#
-H2S + HDO = HDS + H2O
- -add_logk Log_alpha_D_H2S(aq)/H2O(l) 1.0
- -mole_balance HDS(-2)
-
-2HDS = D2S + H2S
- log_k -0.602059991327962396 # -log10(4)
- -mole_balance D2S(-2)
-
-H2S + HTO = HTS + H2O
- -add_logk Log_alpha_T_H2S(aq)/H2O(l) 1.0
- -mole_balance HTS(-2)
-
-2HTS = T2S + H2S
- log_k -0.602059991327962396 # -log10(4)
- -mole_balance T2S(-2)
-
-HDS + HTS = DTS + H2S
- log_k -0.301029995663 # log10(1/2)
- -mole_balance DTS(-2)
-
-H[34S]- + H2S = H2[34S] + HS-
- -add_logk Log_alpha_34S_H2S(aq)/HS- 1.0
- -mole_balance H2[34S](-2)
-
-H2[34S] + HDS = HD[34S] + H2S
- -mole_balance HD[34S](-2)
-
-H2[34S] + D2S = D2[34S] + H2S
- -mole_balance D2[34S](-2)
-
-H2[34S] + HTS = HT[34S] + H2S
- -mole_balance HT[34S](-2)
-
-H2[34S] + T2S = T2[34S] + H2S
- -mole_balance T2[34S](-2)
-
-H2[34S] + DTS = DT[34S] + H2S
- -mole_balance DT[34S](-2)
-#
-# NO2- reactions
-# Updated March 20, 2006
-# Updated September 19, 2006
-# Checked September 19, 2006
-#
-[15N]O3- + NO2- = [15N]O2- + NO3-
- -add_logk Log_alpha_15N_NO2-/NO3- 1.0
- -gamma 3.0000 0.0000
-#
-# N2 reactions
-#
-N2 + [15N]O3- = N[15N] + NO3-
- log_k 0.301029995663 # log10(2)
- -add_logk Log_alpha_15N_N2(aq)/NO3- 1.0
- -mole_balance [15N](0)N(0)
-2N[15N] = [15N]2 + N2
- log_k -0.602059991327962396 # -log10(4)
- -mole_balance [15N](0)2
-#
-# NH3 reactions
-#
-HDO + NH3 = NH2D + H2O
- log_k 0.176091259055 # log10(1.5)
- -add_logk Log_alpha_D_NH3(aq)/H2O(l) 1.0
-
-2NH2D = NHD2 + NH3
- log_k -0.477121254719 # -log10(3)
-
-3NH2D = ND3 + 2NH3
- -logk -1.431363764158 # log10(1/27)
-
-HTO + NH3 = NH2T + H2O
- log_k 0.176091259055 # log10(1.5)
- -add_logk Log_alpha_T_NH3(aq)/H2O(l) 1.0
-
-2NH2T = NHT2 + NH3
- log_k -0.477121254719662 # log10(1/3)
-
-3NH2T = NT3 + 2NH3
- -logk -1.431363764158 # log10(1/27)
-
-NHD2 + NH2T = ND2T + NH3
- log_k -0.477121254719 # -log10(3)
-
-NH2D + NHT2 = NDT2 + NH3
- log_k -0.477121254719 # -log10(3)
-
-# Checked September 19, 2006
-
-NH3 + [15N]O3- = [15N]H3 + NO3-
- -add_logk Log_alpha_15N_NH3(aq)/NO3- 1.0
- -mole_balance [15N](-3)H3
-
-[15N]H3 + NH2D = [15N]H2D + NH3
-[15N]H3 + NHD2 = [15N]HD2 + NH3
-[15N]H3 + ND3 = [15N]D3 + NH3
-[15N]H3 + NH2T = [15N]H2T + NH3
-[15N]H3 + NHT2 = [15N]HT2 + NH3
-[15N]H3 + NT3 = [15N]T3 + NH3
-[15N]H3 + ND2T = [15N]D2T + NH3
-[15N]H3 + NDT2 = [15N]DT2 + NH3
-#
-# NH4+ reactions
-# Updated September 19, 2006
-# Checked September 19, 2006
-#
-HDO + NH4+ = NH3D+ + H2O
- log_k 0.301029995663 # log10(2)
- -add_logk Log_alpha_D_NH4+/H2O(l) 1.0
- -mole_balance N(-3)H3D
- -gamma 2.5000 0.0000
-
-2NH3D+ = NH2D2+ + NH4+
- log_k -0.42596873227228 # log10(3/8)
- -mole_balance N(-3)H2D2
- -gamma 2.5000 0.0000
-
-3NH3D+ = NHD3+ + 2NH4+
- log_k -1.20411998265 # log10(1/16)
- -mole_balance N(-3)HD3
- -gamma 2.5000 0.0000
-
-4NH3D+ = ND4+ + 3NH4+
- log_k -2.408239965311 # log10(1/256)
- -mole_balance N(-3)D4
- -gamma 2.5000 0.0000
-
-HTO + NH4+ = NH3T+ + H2O
- log_k 0.301029995663 # log10(2)
- -add_logk Log_alpha_T_NH4+/H2O(l) 1.0
- -mole_balance N(-3)H3T
- -gamma 2.5000 0.0000
-
-2NH3T+ = NH2T2+ + NH4+
- log_k -0.42596873227228 # log10(3/8)
- -mole_balance N(-3)H2T2
- -gamma 2.5000 0.0000
-
-3NH3T+ = NHT3+ + 2NH4+
- log_k -1.20411998265 # log10(1/16)
- -mole_balance N(-3)HT3
- -gamma 2.5000 0.0000
-
-4NH3T+ = NT4+ + 3NH4+
- log_k -2.408239965311 # log10(1/256)
- -mole_balance N(-3)T4
- -gamma 2.5000 0.0000
-#
-# Updated September 19, 2006
-# Checked September 19, 2006
-#
-NHD3+ + NH3T+ = ND3T+ + NH4+
- log_k -0.602059991327962396 # -log10(4)
- -mole_balance N(-3)D3T
- -gamma 2.5000 0.0000
-
-NH2D2+ + NH2T2+ = ND2T2+ + NH4+
- log_k -0.7781512503836 # -log10(6)
- -mole_balance N(-3)D2T2
- -gamma 2.5000 0.0000
-
-NH3D+ + NHT3+ = NDT3+ + NH4+
- log_k -0.602059991327962396 # -log10(4)
- -mole_balance N(-3)DT3
- -gamma 2.5000 0.0000
-
-[15N]H3 + NH4+ = [15N]H4+ + NH3
- -add_logk Log_alpha_15N_NH4+/NH3(aq) 1.0
- -mole_balance [15N](-3)H4
- -gamma 2.5000 0.0000
-
-[15N]H4+ + NH3D+ = [15N]H3D+ + NH4+
- -mole_balance [15N](-3)H3D
- -gamma 2.5000 0.0000
-
-[15N]H4+ + NH2D2+ = [15N]H2D2+ + NH4+
- -mole_balance [15N](-3)H2D2
- -gamma 2.5000 0.0000
-
-[15N]H4+ + NHD3+ = [15N]HD3+ + NH4+
- -mole_balance [15N](-3)HD3
- -gamma 2.5000 0.0000
-
-[15N]H4+ + ND4+ = [15N]D4+ + NH4+
- -mole_balance [15N](-3)D4+
- -gamma 2.5000 0.0000
-
-[15N]H4+ + NH3T+ = [15N]H3T+ + NH4+
- -mole_balance [15N](-3)H3T
- -gamma 2.5000 0.0000
-
-[15N]H4+ + NH2T2+ = [15N]H2T2+ + NH4+
- -mole_balance [15N](-3)H2T2
- -gamma 2.5000 0.0000
-
-[15N]H4+ + NHT3+ = [15N]HT3+ + NH4+
- -mole_balance [15N](-3)HT3
- -gamma 2.5000 0.0000
-
-[15N]H4+ + NT4+ = [15N]T4+ + NH4+
- -mole_balance [15N](-3)T4+
- -gamma 2.5000 0.0000
-
-[15N]H4+ + ND3T+ = [15N]D3T+ + NH4+
- -mole_balance [15N](-3)D3T
- -gamma 2.5000 0.0000
-
-[15N]H4+ + ND2T2+ = [15N]D2T2+ + NH4+
- -mole_balance [15N](-3)D2T2
- -gamma 2.5000 0.0000
-
-[15N]H4+ + NDT3+ = [15N]DT3+ + NH4+
- -mole_balance [15N](-3)DT3
- -gamma 2.5000 0.0000
-#
-# Missing NH4SO4- reactions
-#
-#
-# Missing PO4-2 reactions
-#
-#
-# Missing HPO4-2 reactions
-#
-#
-# Missing H2PO4- reactions
-#
-#
-# Added HF reactions 16Dec09
-#
-HF + HDO = DF + H2O
-HF + HTO = TF + H2O
-#
-# Added HF2- reactions 16Dec09
-#
-HF2- + HDO = DF2- + H2O
-HF2- + HTO = TF2- + H2O
-#
-# CaOH reactions
-#
-CaOH+ + [18O]H- = Ca[18O]H+ + OH-
- -mole_balance Ca[18O]H
-CaOH+ + OD- = CaOD+ + OH-
- -mole_balance CaOD
-CaOH+ + [18O]D- = Ca[18O]D+ + OH-
- -mole_balance Ca[18O]D
-CaOH+ + OT- = CaOT+ + OH-
- -mole_balance CaOT+
-CaOH+ + [18O]T- = Ca[18O]T+ + OH-
- -mole_balance Ca[18O]T
-#
-# CaCO3 reactions
-#
-CaCO3 + CO2[18O]-2 = CaCO2[18O] + CO3-2
-CaCO3 + CO[18O]2-2 = CaCO[18O]2 + CO3-2
-CaCO3 + C[18O]3-2 = CaC[18O]3 + CO3-2
-CaCO3 + [13C]O3-2 = Ca[13C]O3 + CO3-2
-CaCO3 + [13C]O2[18O]-2 = Ca[13C]O2[18O] + CO3-2
-CaCO3 + [13C]O[18O]2-2 = Ca[13C]O[18O]2 + CO3-2
-CaCO3 + [13C][18O]3-2 = Ca[13C][18O]3 + CO3-2
-CaCO3 + [14C]O3-2 = Ca[14C]O3 + CO3-2
-CaCO3 + [14C]O2[18O]-2 = Ca[14C]O2[18O] + CO3-2
-CaCO3 + [14C]O[18O]2-2 = Ca[14C]O[18O]2 + CO3-2
-CaCO3 + [14C][18O]3-2 = Ca[14C][18O]3 + CO3-2
-#
-# CaHCO3+ reactions
-#
-CaHCO3+ + HCO2[18O]- = CaHCO2[18O]+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + HCO[18O]O- = CaHCO[18O]O+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + HC[18O]O2- = CaHC[18O]O2+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + HCO[18O]2- = CaHCO[18O]2+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + HC[18O]O[18O]- = CaHC[18O]O[18O]+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + HC[18O]2O- = CaHC[18O]2O+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + HC[18O]3- = CaHC[18O]3+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + H[13C]O3- = CaH[13C]O3+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + H[13C]O2[18O]- = CaH[13C]O2[18O]+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + H[13C]O[18O]O- = CaH[13C]O[18O]O+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + H[13C][18O]O2- = CaH[13C][18O]O2+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + H[13C]O[18O]2- = CaH[13C]O[18O]2+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + H[13C][18O]O[18O]- = CaH[13C][18O]O[18O]+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + H[13C][18O]2O- = CaH[13C][18O]2O+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + H[13C][18O]3- = CaH[13C][18O]3+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + H[14C]O3- = CaH[14C]O3+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + H[14C]O2[18O]- = CaH[14C]O2[18O]+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + H[14C]O[18O]O- = CaH[14C]O[18O]O+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + H[14C][18O]O2- = CaH[14C][18O]O2+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + H[14C]O[18O]2- = CaH[14C]O[18O]2+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + H[14C][18O]O[18O]- = CaH[14C][18O]O[18O]+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + H[14C][18O]2O- = CaH[14C][18O]2O+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + H[14C][18O]3- = CaH[14C][18O]3+ + HCO3-
- -gamma 5.4000 0.0000
-
-# DCO3-
-CaHCO3+ + DCO3- = CaDCO3+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + DCO2[18O]- = CaDCO2[18O]+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + DCO[18O]O- = CaDCO[18O]O+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + DC[18O]O2- = CaDC[18O]O2+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + DCO[18O]2- = CaDCO[18O]2+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + DC[18O]O[18O]- = CaDC[18O]O[18O]+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + DC[18O]2O- = CaDC[18O]2O+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + DC[18O]3- = CaDC[18O]3+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + D[13C]O3- = CaD[13C]O3+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + D[13C]O2[18O]- = CaD[13C]O2[18O]+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + D[13C]O[18O]O- = CaD[13C]O[18O]O+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + D[13C][18O]O2- = CaD[13C][18O]O2+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + D[13C]O[18O]2- = CaD[13C]O[18O]2+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + D[13C][18O]O[18O]- = CaD[13C][18O]O[18O]+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + D[13C][18O]2O- = CaD[13C][18O]2O+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + D[13C][18O]3- = CaD[13C][18O]3+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + D[14C]O3- = CaD[14C]O3+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + D[14C]O2[18O]- = CaD[14C]O2[18O]+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + D[14C]O[18O]O- = CaD[14C]O[18O]O+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + D[14C][18O]O2- = CaD[14C][18O]O2+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + D[14C]O[18O]2- = CaD[14C]O[18O]2+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + D[14C][18O]O[18O]- = CaD[14C][18O]O[18O]+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + D[14C][18O]2O- = CaD[14C][18O]2O+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + D[14C][18O]3- = CaD[14C][18O]3+ + HCO3-
- -gamma 5.4000 0.0000
-
-# TCO3-
-CaHCO3+ + TCO3- = CaTCO3+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + TCO2[18O]- = CaTCO2[18O]+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + TCO[18O]O- = CaTCO[18O]O+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + TC[18O]O2- = CaTC[18O]O2+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + TCO[18O]2- = CaTCO[18O]2+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + TC[18O]O[18O]- = CaTC[18O]O[18O]+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + TC[18O]2O- = CaTC[18O]2O+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + TC[18O]3- = CaTC[18O]3+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + T[13C]O3- = CaT[13C]O3+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + T[13C]O2[18O]- = CaT[13C]O2[18O]+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + T[13C]O[18O]O- = CaT[13C]O[18O]O+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + T[13C][18O]O2- = CaT[13C][18O]O2+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + T[13C]O[18O]2- = CaT[13C]O[18O]2+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + T[13C][18O]O[18O]- = CaT[13C][18O]O[18O]+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + T[13C][18O]2O- = CaT[13C][18O]2O+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + T[13C][18O]3- = CaT[13C][18O]3+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + T[14C]O3- = CaT[14C]O3+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + T[14C]O2[18O]- = CaT[14C]O2[18O]+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + T[14C]O[18O]O- = CaT[14C]O[18O]O+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + T[14C][18O]O2- = CaT[14C][18O]O2+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + T[14C]O[18O]2- = CaT[14C]O[18O]2+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + T[14C][18O]O[18O]- = CaT[14C][18O]O[18O]+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + T[14C][18O]2O- = CaT[14C][18O]2O+ + HCO3-
- -gamma 5.4000 0.0000
-
-CaHCO3+ + T[14C][18O]3- = CaT[14C][18O]3+ + HCO3-
- -gamma 5.4000 0.0000
-#
-# CaSO4 reactions
-#
-# Updated May 17, 2006
-CaSO4 + [34S]O4-2 = Ca[34S]O4 + SO4-2
-#
-# CaHSO4+ reactions
-#
-CaHSO4+ + H[34S]O4- = CaH[34S]O4+ + HSO4-
-CaHSO4+ + D[34S]O4- = CaD[34S]O4+ + HSO4-
-CaHSO4+ + T[34S]O4- = CaT[34S]O4+ + HSO4-
-#
-# Missing CaPO4- reactions
-#
-#
-# Missing CaHPO4 reactions
-#
-#
-# Missing CaH2PO4+ reactions
-#
-#
-# MgOH+ reactions
-#
-MgOH+ + [18O]H- = Mg[18O]H+ + OH-
-MgOH+ + OD- = MgOD+ + OH-
-MgOH+ + [18O]D- = Mg[18O]D+ + OH-
-MgOH+ + OT- = MgOT+ + OH-
-MgOH+ + [18O]T- = Mg[18O]T+ + OH-
-#
-# MgCO3 reactions
-#
-MgCO3 + CO2[18O]-2 = MgCO2[18O] + CO3-2
-MgCO3 + CO[18O]2-2 = MgCO[18O]2 + CO3-2
-MgCO3 + C[18O]3-2 = MgC[18O]3 + CO3-2
-MgCO3 + [13C]O3-2 = Mg[13C]O3 + CO3-2
-MgCO3 + [13C]O2[18O]-2 = Mg[13C]O2[18O] + CO3-2
-MgCO3 + [13C]O[18O]2-2 = Mg[13C]O[18O]2 + CO3-2
-MgCO3 + [13C][18O]3-2 = Mg[13C][18O]3 + CO3-2
-MgCO3 + [14C]O3-2 = Mg[14C]O3 + CO3-2
-MgCO3 + [14C]O2[18O]-2 = Mg[14C]O2[18O] + CO3-2
-MgCO3 + [14C]O[18O]2-2 = Mg[14C]O[18O]2 + CO3-2
-MgCO3 + [14C][18O]3-2 = Mg[14C][18O]3 + CO3-2
-#
-# MgHCO3+ reactions
-#
-MgHCO3+ + HCO2[18O]- = MgHCO2[18O]+ + HCO3-
-MgHCO3+ + HCO[18O]O- = MgHCO[18O]O+ + HCO3-
-MgHCO3+ + HC[18O]O2- = MgHC[18O]O2+ + HCO3-
-MgHCO3+ + HCO[18O]2- = MgHCO[18O]2+ + HCO3-
-MgHCO3+ + HC[18O]O[18O]- = MgHC[18O]O[18O]+ + HCO3-
-MgHCO3+ + HC[18O]2O- = MgHC[18O]2O+ + HCO3-
-MgHCO3+ + HC[18O]3- = MgHC[18O]3+ + HCO3-
-MgHCO3+ + H[13C]O3- = MgH[13C]O3+ + HCO3-
-MgHCO3+ + H[13C]O2[18O]- = MgH[13C]O2[18O]+ + HCO3-
-MgHCO3+ + H[13C]O[18O]O- = MgH[13C]O[18O]O+ + HCO3-
-MgHCO3+ + H[13C][18O]O2- = MgH[13C][18O]O2+ + HCO3-
-MgHCO3+ + H[13C]O[18O]2- = MgH[13C]O[18O]2+ + HCO3-
-MgHCO3+ + H[13C][18O]O[18O]- = MgH[13C][18O]O[18O]+ + HCO3-
-MgHCO3+ + H[13C][18O]2O- = MgH[13C][18O]2O+ + HCO3-
-MgHCO3+ + H[13C][18O]3- = MgH[13C][18O]3+ + HCO3-
-MgHCO3+ + H[14C]O3- = MgH[14C]O3+ + HCO3-
-MgHCO3+ + H[14C]O2[18O]- = MgH[14C]O2[18O]+ + HCO3-
-MgHCO3+ + H[14C]O[18O]O- = MgH[14C]O[18O]O+ + HCO3-
-MgHCO3+ + H[14C][18O]O2- = MgH[14C][18O]O2+ + HCO3-
-MgHCO3+ + H[14C]O[18O]2- = MgH[14C]O[18O]2+ + HCO3-
-MgHCO3+ + H[14C][18O]O[18O]- = MgH[14C][18O]O[18O]+ + HCO3-
-MgHCO3+ + H[14C][18O]2O- = MgH[14C][18O]2O+ + HCO3-
-MgHCO3+ + H[14C][18O]3- = MgH[14C][18O]3+ + HCO3-
-
-# DCO3-
-MgHCO3+ + DCO3- = MgDCO3+ + HCO3-
-MgHCO3+ + DCO2[18O]- = MgDCO2[18O]+ + HCO3-
-MgHCO3+ + DCO[18O]O- = MgDCO[18O]O+ + HCO3-
-MgHCO3+ + DC[18O]O2- = MgDC[18O]O2+ + HCO3-
-MgHCO3+ + DCO[18O]2- = MgDCO[18O]2+ + HCO3-
-MgHCO3+ + DC[18O]O[18O]- = MgDC[18O]O[18O]+ + HCO3-
-MgHCO3+ + DC[18O]2O- = MgDC[18O]2O+ + HCO3-
-MgHCO3+ + DC[18O]3- = MgDC[18O]3+ + HCO3-
-MgHCO3+ + D[13C]O3- = MgD[13C]O3+ + HCO3-
-MgHCO3+ + D[13C]O2[18O]- = MgD[13C]O2[18O]+ + HCO3-
-MgHCO3+ + D[13C]O[18O]O- = MgD[13C]O[18O]O+ + HCO3-
-MgHCO3+ + D[13C][18O]O2- = MgD[13C][18O]O2+ + HCO3-
-MgHCO3+ + D[13C]O[18O]2- = MgD[13C]O[18O]2+ + HCO3-
-MgHCO3+ + D[13C][18O]O[18O]- = MgD[13C][18O]O[18O]+ + HCO3-
-MgHCO3+ + D[13C][18O]2O- = MgD[13C][18O]2O+ + HCO3-
-MgHCO3+ + D[13C][18O]3- = MgD[13C][18O]3+ + HCO3-
-MgHCO3+ + D[14C]O3- = MgD[14C]O3+ + HCO3-
-MgHCO3+ + D[14C]O2[18O]- = MgD[14C]O2[18O]+ + HCO3-
-MgHCO3+ + D[14C]O[18O]O- = MgD[14C]O[18O]O+ + HCO3-
-MgHCO3+ + D[14C][18O]O2- = MgD[14C][18O]O2+ + HCO3-
-MgHCO3+ + D[14C]O[18O]2- = MgD[14C]O[18O]2+ + HCO3-
-MgHCO3+ + D[14C][18O]O[18O]- = MgD[14C][18O]O[18O]+ + HCO3-
-MgHCO3+ + D[14C][18O]2O- = MgD[14C][18O]2O+ + HCO3-
-MgHCO3+ + D[14C][18O]3- = MgD[14C][18O]3+ + HCO3-
-
-# TCO3-
-MgHCO3+ + TCO3- = MgTCO3+ + HCO3-
-MgHCO3+ + TCO2[18O]- = MgTCO2[18O]+ + HCO3-
-MgHCO3+ + TCO[18O]O- = MgTCO[18O]O+ + HCO3-
-MgHCO3+ + TC[18O]O2- = MgTC[18O]O2+ + HCO3-
-MgHCO3+ + TCO[18O]2- = MgTCO[18O]2+ + HCO3-
-MgHCO3+ + TC[18O]O[18O]- = MgTC[18O]O[18O]+ + HCO3-
-MgHCO3+ + TC[18O]2O- = MgTC[18O]2O+ + HCO3-
-MgHCO3+ + TC[18O]3- = MgTC[18O]3+ + HCO3-
-MgHCO3+ + T[13C]O3- = MgT[13C]O3+ + HCO3-
-MgHCO3+ + T[13C]O2[18O]- = MgT[13C]O2[18O]+ + HCO3-
-MgHCO3+ + T[13C]O[18O]O- = MgT[13C]O[18O]O+ + HCO3-
-MgHCO3+ + T[13C][18O]O2- = MgT[13C][18O]O2+ + HCO3-
-MgHCO3+ + T[13C]O[18O]2- = MgT[13C]O[18O]2+ + HCO3-
-MgHCO3+ + T[13C][18O]O[18O]- = MgT[13C][18O]O[18O]+ + HCO3-
-MgHCO3+ + T[13C][18O]2O- = MgT[13C][18O]2O+ + HCO3-
-MgHCO3+ + T[13C][18O]3- = MgT[13C][18O]3+ + HCO3-
-MgHCO3+ + T[14C]O3- = MgT[14C]O3+ + HCO3-
-MgHCO3+ + T[14C]O2[18O]- = MgT[14C]O2[18O]+ + HCO3-
-MgHCO3+ + T[14C]O[18O]O- = MgT[14C]O[18O]O+ + HCO3-
-MgHCO3+ + T[14C][18O]O2- = MgT[14C][18O]O2+ + HCO3-
-MgHCO3+ + T[14C]O[18O]2- = MgT[14C]O[18O]2+ + HCO3-
-MgHCO3+ + T[14C][18O]O[18O]- = MgT[14C][18O]O[18O]+ + HCO3-
-MgHCO3+ + T[14C][18O]2O- = MgT[14C][18O]2O+ + HCO3-
-MgHCO3+ + T[14C][18O]3- = MgT[14C][18O]3+ + HCO3-
-#
-# MgSO4 reactions
-#
-MgSO4 + [34S]O4-2 = Mg[34S]O4 + SO4-2
-#
-# Missing MgPO4- reactions
-#
-#
-# Missing MgHPO4 reactions
-#
-#
-# Missing Mg2PO4+ reactions
-#
-#
-# NaOH reactions
-#
-NaOH + [18O]H- = Na[18O]H + OH-
-NaOH + OD- = NaOD + OH-
-NaOH + [18O]D- = Na[18O]D + OH-
-NaOH + OT- = NaOT + OH-
-NaOH + [18O]T- = Na[18O]T + OH-
-#
-# NaCO3- reactions
-#
-NaCO3- + CO2[18O]-2 = NaCO2[18O]- + CO3-2
-NaCO3- + CO[18O]2-2 = NaCO[18O]2- + CO3-2
-NaCO3- + C[18O]3-2 = NaC[18O]3- + CO3-2
-NaCO3- + [13C]O3-2 = Na[13C]O3- + CO3-2
-NaCO3- + [13C]O2[18O]-2 = Na[13C]O2[18O]- + CO3-2
-NaCO3- + [13C]O[18O]2-2 = Na[13C]O[18O]2- + CO3-2
-NaCO3- + [13C][18O]3-2 = Na[13C][18O]3- + CO3-2
-NaCO3- + [14C]O3-2 = Na[14C]O3- + CO3-2
-NaCO3- + [14C]O2[18O]-2 = Na[14C]O2[18O]- + CO3-2
-NaCO3- + [14C]O[18O]2-2 = Na[14C]O[18O]2- + CO3-2
-NaCO3- + [14C][18O]3-2 = Na[14C][18O]3- + CO3-2
-#
-# NaHCO3 reactions
-#
-NaHCO3 + HCO2[18O]- = NaHCO2[18O] + HCO3-
-NaHCO3 + HCO[18O]O- = NaHCO[18O]O + HCO3-
-NaHCO3 + HC[18O]O2- = NaHC[18O]O2 + HCO3-
-NaHCO3 + HCO[18O]2- = NaHCO[18O]2 + HCO3-
-NaHCO3 + HC[18O]O[18O]- = NaHC[18O]O[18O] + HCO3-
-NaHCO3 + HC[18O]2O- = NaHC[18O]2O + HCO3-
-NaHCO3 + HC[18O]3- = NaHC[18O]3 + HCO3-
-NaHCO3 + H[13C]O3- = NaH[13C]O3 + HCO3-
-NaHCO3 + H[13C]O2[18O]- = NaH[13C]O2[18O] + HCO3-
-NaHCO3 + H[13C]O[18O]O- = NaH[13C]O[18O]O + HCO3-
-NaHCO3 + H[13C][18O]O2- = NaH[13C][18O]O2 + HCO3-
-NaHCO3 + H[13C]O[18O]2- = NaH[13C]O[18O]2 + HCO3-
-NaHCO3 + H[13C][18O]O[18O]- = NaH[13C][18O]O[18O] + HCO3-
-NaHCO3 + H[13C][18O]2O- = NaH[13C][18O]2O + HCO3-
-NaHCO3 + H[13C][18O]3- = NaH[13C][18O]3 + HCO3-
-NaHCO3 + H[14C]O3- = NaH[14C]O3 + HCO3-
-NaHCO3 + H[14C]O2[18O]- = NaH[14C]O2[18O] + HCO3-
-NaHCO3 + H[14C]O[18O]O- = NaH[14C]O[18O]O + HCO3-
-NaHCO3 + H[14C][18O]O2- = NaH[14C][18O]O2 + HCO3-
-NaHCO3 + H[14C]O[18O]2- = NaH[14C]O[18O]2 + HCO3-
-NaHCO3 + H[14C][18O]O[18O]- = NaH[14C][18O]O[18O] + HCO3-
-NaHCO3 + H[14C][18O]2O- = NaH[14C][18O]2O + HCO3-
-NaHCO3 + H[14C][18O]3- = NaH[14C][18O]3 + HCO3-
-
-# DCO3-
-NaHCO3 + DCO3- = NaDCO3 + HCO3-
-NaHCO3 + DCO2[18O]- = NaDCO2[18O] + HCO3-
-NaHCO3 + DCO[18O]O- = NaDCO[18O]O + HCO3-
-NaHCO3 + DC[18O]O2- = NaDC[18O]O2 + HCO3-
-NaHCO3 + DCO[18O]2- = NaDCO[18O]2 + HCO3-
-NaHCO3 + DC[18O]O[18O]- = NaDC[18O]O[18O] + HCO3-
-NaHCO3 + DC[18O]2O- = NaDC[18O]2O + HCO3-
-NaHCO3 + DC[18O]3- = NaDC[18O]3 + HCO3-
-NaHCO3 + D[13C]O3- = NaD[13C]O3 + HCO3-
-NaHCO3 + D[13C]O2[18O]- = NaD[13C]O2[18O] + HCO3-
-NaHCO3 + D[13C]O[18O]O- = NaD[13C]O[18O]O + HCO3-
-NaHCO3 + D[13C][18O]O2- = NaD[13C][18O]O2 + HCO3-
-NaHCO3 + D[13C]O[18O]2- = NaD[13C]O[18O]2 + HCO3-
-NaHCO3 + D[13C][18O]O[18O]- = NaD[13C][18O]O[18O] + HCO3-
-NaHCO3 + D[13C][18O]2O- = NaD[13C][18O]2O + HCO3-
-NaHCO3 + D[13C][18O]3- = NaD[13C][18O]3 + HCO3-
-NaHCO3 + D[14C]O3- = NaD[14C]O3 + HCO3-
-NaHCO3 + D[14C]O2[18O]- = NaD[14C]O2[18O] + HCO3-
-NaHCO3 + D[14C]O[18O]O- = NaD[14C]O[18O]O + HCO3-
-NaHCO3 + D[14C][18O]O2- = NaD[14C][18O]O2 + HCO3-
-NaHCO3 + D[14C]O[18O]2- = NaD[14C]O[18O]2 + HCO3-
-NaHCO3 + D[14C][18O]O[18O]- = NaD[14C][18O]O[18O] + HCO3-
-NaHCO3 + D[14C][18O]2O- = NaD[14C][18O]2O + HCO3-
-NaHCO3 + D[14C][18O]3- = NaD[14C][18O]3 + HCO3-
-
-# TCO3-
-NaHCO3 + TCO3- = NaTCO3 + HCO3-
-NaHCO3 + TCO2[18O]- = NaTCO2[18O] + HCO3-
-NaHCO3 + TCO[18O]O- = NaTCO[18O]O + HCO3-
-NaHCO3 + TC[18O]O2- = NaTC[18O]O2 + HCO3-
-NaHCO3 + TCO[18O]2- = NaTCO[18O]2 + HCO3-
-NaHCO3 + TC[18O]O[18O]- = NaTC[18O]O[18O] + HCO3-
-NaHCO3 + TC[18O]2O- = NaTC[18O]2O + HCO3-
-NaHCO3 + TC[18O]3- = NaTC[18O]3 + HCO3-
-NaHCO3 + T[13C]O3- = NaT[13C]O3 + HCO3-
-NaHCO3 + T[13C]O2[18O]- = NaT[13C]O2[18O] + HCO3-
-NaHCO3 + T[13C]O[18O]O- = NaT[13C]O[18O]O + HCO3-
-NaHCO3 + T[13C][18O]O2- = NaT[13C][18O]O2 + HCO3-
-NaHCO3 + T[13C]O[18O]2- = NaT[13C]O[18O]2 + HCO3-
-NaHCO3 + T[13C][18O]O[18O]- = NaT[13C][18O]O[18O] + HCO3-
-NaHCO3 + T[13C][18O]2O- = NaT[13C][18O]2O + HCO3-
-NaHCO3 + T[13C][18O]3- = NaT[13C][18O]3 + HCO3-
-NaHCO3 + T[14C]O3- = NaT[14C]O3 + HCO3-
-NaHCO3 + T[14C]O2[18O]- = NaT[14C]O2[18O] + HCO3-
-NaHCO3 + T[14C]O[18O]O- = NaT[14C]O[18O]O + HCO3-
-NaHCO3 + T[14C][18O]O2- = NaT[14C][18O]O2 + HCO3-
-NaHCO3 + T[14C]O[18O]2- = NaT[14C]O[18O]2 + HCO3-
-NaHCO3 + T[14C][18O]O[18O]- = NaT[14C][18O]O[18O] + HCO3-
-NaHCO3 + T[14C][18O]2O- = NaT[14C][18O]2O + HCO3-
-NaHCO3 + T[14C][18O]3- = NaT[14C][18O]3 + HCO3-
-#
-# NaSO4- reactions
-#
-NaSO4- + [34S]O4-2 = Na[34S]O4- + SO4-2
-#
-# Missing NaHPO4- reactions
-#
-#
-# KOH reactions
-#
-KOH + [18O]H- = K[18O]H + OH-
-KOH + OD- = KOD + OH-
-KOH + [18O]D- = K[18O]D + OH-
-KOH + OT- = KOT + OH-
-KOH + [18O]T- = K[18O]T + OH-
-#
-# KSO4- reactions
-#
-KSO4- + [34S]O4-2 = K[34S]O4- + SO4-2
-#
-# Added FeOH+ reactions 16Dec09
-#
-FeOH+ + OD- = FeOD+ + OH-
-FeOH+ + OT- = FeOT+ + OH-
-FeOH+ + [18O]H- = Fe[18O]H+ + OH-
-FeOH+ + [18O]D- = Fe[18O]D+ + OH-
-FeOH+ + [18O]T- = Fe[18O]T+ + OH-
-#
-# Added FeCO3 reactions 16Dec09
-# Checked 17Dec09
-#
-FeCO3 + CO2[18O]-2 = FeCO2[18O] + CO3-2
-FeCO3 + CO[18O]2-2 = FeCO[18O]2 + CO3-2
-FeCO3 + C[18O]3-2 = FeC[18O]3 + CO3-2
-FeCO3 + [13C]O3-2 = Fe[13C]O3 + CO3-2
-FeCO3 + [13C]O2[18O]-2 = Fe[13C]O2[18O] + CO3-2
-FeCO3 + [13C]O[18O]2-2 = Fe[13C]O[18O]2 + CO3-2
-FeCO3 + [13C][18O]3-2 = Fe[13C][18O]3 + CO3-2
-FeCO3 + [14C]O3-2 = Fe[14C]O3 + CO3-2
-FeCO3 + [14C]O2[18O]-2 = Fe[14C]O2[18O] + CO3-2
-FeCO3 + [14C]O[18O]2-2 = Fe[14C]O[18O]2 + CO3-2
-FeCO3 + [14C][18O]3-2 = Fe[14C][18O]3 + CO3-2
-#
-# Added FeHCO3+ reactions 16Dec09
-# Revised 17Dec09
-#
-FeHCO3+ + HCO2[18O]- = FeHCO2[18O]+ + HCO3-
-FeHCO3+ + HCO[18O]O- = FeHCO[18O]O+ + HCO3-
-FeHCO3+ + HCO[18O]2- = FeHCO[18O]2+ + HCO3-
-FeHCO3+ + HC[18O]O2- = FeHC[18O]O2+ + HCO3-
-FeHCO3+ + HC[18O]O[18O]- = FeHC[18O]O[18O]+ + HCO3-
-FeHCO3+ + HC[18O]2O- = FeHC[18O]2O+ + HCO3-
-FeHCO3+ + HC[18O]3- = FeHC[18O]3+ + HCO3-
-FeHCO3+ + H[13C]O3- = FeH[13C]O3+ + HCO3-
-FeHCO3+ + H[13C]O2[18O]- = FeH[13C]O2[18O]+ + HCO3-
-FeHCO3+ + H[13C]O[18O]O- = FeH[13C]O[18O]O+ + HCO3-
-FeHCO3+ + H[13C]O[18O]2- = FeH[13C]O[18O]2+ + HCO3-
-FeHCO3+ + H[13C][18O]O2- = FeH[13C][18O]O2+ + HCO3-
-FeHCO3+ + H[13C][18O]O[18O]- = FeH[13C][18O]O[18O]+ + HCO3-
-FeHCO3+ + H[13C][18O]2O- = FeH[13C][18O]2O+ + HCO3-
-FeHCO3+ + H[13C][18O]3- = FeH[13C][18O]3+ + HCO3-
-FeHCO3+ + H[14C]O3- = FeH[14C]O3+ + HCO3-
-FeHCO3+ + H[14C]O2[18O]- = FeH[14C]O2[18O]+ + HCO3-
-FeHCO3+ + H[14C]O[18O]O- = FeH[14C]O[18O]O+ + HCO3-
-FeHCO3+ + H[14C]O[18O]2- = FeH[14C]O[18O]2+ + HCO3-
-FeHCO3+ + H[14C][18O]O2- = FeH[14C][18O]O2+ + HCO3-
-FeHCO3+ + H[14C][18O]O[18O]- = FeH[14C][18O]O[18O]+ + HCO3-
-FeHCO3+ + H[14C][18O]2O- = FeH[14C][18O]2O+ + HCO3-
-FeHCO3+ + H[14C][18O]3- = FeH[14C][18O]3+ + HCO3-
-FeHCO3+ + DCO3- = FeDCO3+ + HCO3-
-FeHCO3+ + DCO2[18O]- = FeDCO2[18O]+ + HCO3-
-FeHCO3+ + DCO[18O]O- = FeDCO[18O]O+ + HCO3-
-FeHCO3+ + DCO[18O]2- = FeDCO[18O]2+ + HCO3-
-FeHCO3+ + DC[18O]O2- = FeDC[18O]O2+ + HCO3-
-FeHCO3+ + DC[18O]O[18O]- = FeDC[18O]O[18O]+ + HCO3-
-FeHCO3+ + DC[18O]2O- = FeDC[18O]2O+ + HCO3-
-FeHCO3+ + DC[18O]3- = FeDC[18O]3+ + HCO3-
-FeHCO3+ + D[13C]O3- = FeD[13C]O3+ + HCO3-
-FeHCO3+ + D[13C]O2[18O]- = FeD[13C]O2[18O]+ + HCO3-
-FeHCO3+ + D[13C]O[18O]O- = FeD[13C]O[18O]O+ + HCO3-
-FeHCO3+ + D[13C]O[18O]2- = FeD[13C]O[18O]2+ + HCO3-
-FeHCO3+ + D[13C][18O]O2- = FeD[13C][18O]O2+ + HCO3-
-FeHCO3+ + D[13C][18O]O[18O]- = FeD[13C][18O]O[18O]+ + HCO3-
-FeHCO3+ + D[13C][18O]2O- = FeD[13C][18O]2O+ + HCO3-
-FeHCO3+ + D[13C][18O]3- = FeD[13C][18O]3+ + HCO3-
-FeHCO3+ + D[14C]O3- = FeD[14C]O3+ + HCO3-
-FeHCO3+ + D[14C]O2[18O]- = FeD[14C]O2[18O]+ + HCO3-
-FeHCO3+ + D[14C]O[18O]O- = FeD[14C]O[18O]O+ + HCO3-
-FeHCO3+ + D[14C]O[18O]2- = FeD[14C]O[18O]2+ + HCO3-
-FeHCO3+ + D[14C][18O]O2- = FeD[14C][18O]O2+ + HCO3-
-FeHCO3+ + D[14C][18O]O[18O]- = FeD[14C][18O]O[18O]+ + HCO3-
-FeHCO3+ + D[14C][18O]2O- = FeD[14C][18O]2O+ + HCO3-
-FeHCO3+ + D[14C][18O]3- = FeD[14C][18O]3+ + HCO3-
-FeHCO3+ + TCO3- = FeTCO3+ + HCO3-
-FeHCO3+ + TCO2[18O]- = FeTCO2[18O]+ + HCO3-
-FeHCO3+ + TCO[18O]O- = FeTCO[18O]O+ + HCO3-
-FeHCO3+ + TCO[18O]2- = FeTCO[18O]2+ + HCO3-
-FeHCO3+ + TC[18O]O2- = FeTC[18O]O2+ + HCO3-
-FeHCO3+ + TC[18O]O[18O]- = FeTC[18O]O[18O]+ + HCO3-
-FeHCO3+ + TC[18O]2O- = FeTC[18O]2O+ + HCO3-
-FeHCO3+ + TC[18O]3- = FeTC[18O]3+ + HCO3-
-FeHCO3+ + T[13C]O3- = FeT[13C]O3+ + HCO3-
-FeHCO3+ + T[13C]O2[18O]- = FeT[13C]O2[18O]+ + HCO3-
-FeHCO3+ + T[13C]O[18O]O- = FeT[13C]O[18O]O+ + HCO3-
-FeHCO3+ + T[13C]O[18O]2- = FeT[13C]O[18O]2+ + HCO3-
-FeHCO3+ + T[13C][18O]O2- = FeT[13C][18O]O2+ + HCO3-
-FeHCO3+ + T[13C][18O]O[18O]- = FeT[13C][18O]O[18O]+ + HCO3-
-FeHCO3+ + T[13C][18O]2O- = FeT[13C][18O]2O+ + HCO3-
-FeHCO3+ + T[13C][18O]3- = FeT[13C][18O]3+ + HCO3-
-FeHCO3+ + T[14C]O3- = FeT[14C]O3+ + HCO3-
-FeHCO3+ + T[14C]O2[18O]- = FeT[14C]O2[18O]+ + HCO3-
-FeHCO3+ + T[14C]O[18O]O- = FeT[14C]O[18O]O+ + HCO3-
-FeHCO3+ + T[14C]O[18O]2- = FeT[14C]O[18O]2+ + HCO3-
-FeHCO3+ + T[14C][18O]O2- = FeT[14C][18O]O2+ + HCO3-
-FeHCO3+ + T[14C][18O]O[18O]- = FeT[14C][18O]O[18O]+ + HCO3-
-FeHCO3+ + T[14C][18O]2O- = FeT[14C][18O]2O+ + HCO3-
-FeHCO3+ + T[14C][18O]3- = FeT[14C][18O]3+ + HCO3-
-#
-# Added FeSO4 reactions 16Dec09
-#
-FeSO4 + [34S]O4-2 = Fe[34S]O4 + SO4-2
-#
-# Added FeHSO4+ reactions 16Dec09
-#
-FeHSO4+ + DSO4- = FeDSO4+ + HSO4-
-FeHSO4+ + TSO4- = FeTSO4+ + HSO4-
-FeHSO4+ + H[34S]O4- = FeH[34S]O4+ + HSO4-
-FeHSO4+ + D[34S]O4- = FeD[34S]O4+ + HSO4-
-FeHSO4+ + T[34S]O4- = FeT[34S]O4+ + HSO4-
-#
-# Added Fe(HS)2 reactions 16Dec09
-# Revised 17Dec09, limited the number of species
-#
-Fe(HS)2 + HS- + DS- = FeHSDS + 2HS-
-Fe(HS)2 + HS- + TS- = FeHSTS + 2HS-
-Fe(HS)2 + HS- + H[34S]- = FeHSH[34S] + 2HS-
-Fe(HS)2 + HS- + D[34S]- = FeHSD[34S] + 2HS-
-Fe(HS)2 + HS- + T[34S]- = FeHST[34S] + 2HS-
-Fe(HS)2 + DS- + HS- = FeDSHS + 2HS-
-Fe(HS)2 + DS- + DS- = FeDSDS + 2HS-
-Fe(HS)2 + DS- + TS- = FeDSTS + 2HS-
-Fe(HS)2 + DS- + H[34S]- = FeDSH[34S] + 2HS-
-Fe(HS)2 + DS- + D[34S]- = FeDSD[34S] + 2HS-
-Fe(HS)2 + DS- + T[34S]- = FeDST[34S] + 2HS-
-Fe(HS)2 + TS- + HS- = FeTSHS + 2HS-
-Fe(HS)2 + TS- + DS- = FeTSDS + 2HS-
-Fe(HS)2 + TS- + H[34S]- = FeTSH[34S] + 2HS-
-Fe(HS)2 + TS- + D[34S]- = FeTSD[34S] + 2HS-
-Fe(HS)2 + H[34S]- + HS- = FeH[34S]HS + 2HS-
-Fe(HS)2 + H[34S]- + DS- = FeH[34S]DS + 2HS-
-Fe(HS)2 + H[34S]- + TS- = FeH[34S]TS + 2HS-
-Fe(HS)2 + H[34S]- + H[34S]- = FeH[34S]H[34S] + 2HS-
-Fe(HS)2 + H[34S]- + D[34S]- = FeH[34S]D[34S] + 2HS-
-Fe(HS)2 + H[34S]- + T[34S]- = FeH[34S]T[34S] + 2HS-
-Fe(HS)2 + D[34S]- + HS- = FeD[34S]HS + 2HS-
-Fe(HS)2 + D[34S]- + DS- = FeD[34S]DS + 2HS-
-Fe(HS)2 + D[34S]- + TS- = FeD[34S]TS + 2HS-
-Fe(HS)2 + D[34S]- + H[34S]- = FeD[34S]H[34S] + 2HS-
-Fe(HS)2 + D[34S]- + D[34S]- = FeD[34S]D[34S] + 2HS-
-Fe(HS)2 + D[34S]- + T[34S]- = FeD[34S]T[34S] + 2HS-
-Fe(HS)2 + T[34S]- + HS- = FeT[34S]HS + 2HS-
-Fe(HS)2 + T[34S]- + DS- = FeT[34S]DS + 2HS-
-Fe(HS)2 + T[34S]- + H[34S]- = FeT[34S]H[34S] + 2HS-
-Fe(HS)2 + T[34S]- + D[34S]- = FeT[34S]D[34S] + 2HS-
-#
-# Added Fe(HS)3- reactions 16Dec09
-# Revised 17Dec09, limited the number of species
-#
-Fe(HS)3- + HS- + HS- + DS- = FeHSHSDS- + 3HS-
-Fe(HS)3- + HS- + HS- + TS- = FeHSHSTS- + 3HS-
-Fe(HS)3- + HS- + HS- + H[34S]- = FeHSHSH[34S]- + 3HS-
-Fe(HS)3- + HS- + HS- + D[34S]- = FeHSHSD[34S]- + 3HS-
-Fe(HS)3- + HS- + HS- + T[34S]- = FeHSHST[34S]- + 3HS-
-Fe(HS)3- + HS- + DS- + HS- = FeHSDSHS- + 3HS-
-Fe(HS)3- + HS- + DS- + DS- = FeHSDSDS- + 3HS-
-Fe(HS)3- + HS- + DS- + TS- = FeHSDSTS- + 3HS-
-Fe(HS)3- + HS- + DS- + H[34S]- = FeHSDSH[34S]- + 3HS-
-Fe(HS)3- + HS- + DS- + D[34S]- = FeHSDSD[34S]- + 3HS-
-Fe(HS)3- + HS- + DS- + T[34S]- = FeHSDST[34S]- + 3HS-
-Fe(HS)3- + HS- + TS- + HS- = FeHSTSHS- + 3HS-
-Fe(HS)3- + HS- + TS- + DS- = FeHSTSDS- + 3HS-
-Fe(HS)3- + HS- + TS- + H[34S]- = FeHSTSH[34S]- + 3HS-
-Fe(HS)3- + HS- + TS- + D[34S]- = FeHSTSD[34S]- + 3HS-
-Fe(HS)3- + HS- + H[34S]- + HS- = FeHSH[34S]HS- + 3HS-
-Fe(HS)3- + HS- + H[34S]- + DS- = FeHSH[34S]DS- + 3HS-
-Fe(HS)3- + HS- + H[34S]- + TS- = FeHSH[34S]TS- + 3HS-
-Fe(HS)3- + HS- + H[34S]- + H[34S]- = FeHSH[34S]H[34S]- + 3HS-
-Fe(HS)3- + HS- + H[34S]- + D[34S]- = FeHSH[34S]D[34S]- + 3HS-
-Fe(HS)3- + HS- + H[34S]- + T[34S]- = FeHSH[34S]T[34S]- + 3HS-
-Fe(HS)3- + HS- + D[34S]- + HS- = FeHSD[34S]HS- + 3HS-
-Fe(HS)3- + HS- + D[34S]- + DS- = FeHSD[34S]DS- + 3HS-
-Fe(HS)3- + HS- + D[34S]- + TS- = FeHSD[34S]TS- + 3HS-
-Fe(HS)3- + HS- + D[34S]- + H[34S]- = FeHSD[34S]H[34S]- + 3HS-
-Fe(HS)3- + HS- + D[34S]- + D[34S]- = FeHSD[34S]D[34S]- + 3HS-
-Fe(HS)3- + HS- + D[34S]- + T[34S]- = FeHSD[34S]T[34S]- + 3HS-
-Fe(HS)3- + HS- + T[34S]- + HS- = FeHST[34S]HS- + 3HS-
-Fe(HS)3- + HS- + T[34S]- + DS- = FeHST[34S]DS- + 3HS-
-Fe(HS)3- + HS- + T[34S]- + H[34S]- = FeHST[34S]H[34S]- + 3HS-
-Fe(HS)3- + HS- + T[34S]- + D[34S]- = FeHST[34S]D[34S]- + 3HS-
-Fe(HS)3- + DS- + HS- + HS- = FeDSHSHS- + 3HS-
-Fe(HS)3- + DS- + HS- + DS- = FeDSHSDS- + 3HS-
-Fe(HS)3- + DS- + HS- + TS- = FeDSHSTS- + 3HS-
-Fe(HS)3- + DS- + HS- + H[34S]- = FeDSHSH[34S]- + 3HS-
-Fe(HS)3- + DS- + HS- + D[34S]- = FeDSHSD[34S]- + 3HS-
-Fe(HS)3- + DS- + HS- + T[34S]- = FeDSHST[34S]- + 3HS-
-Fe(HS)3- + DS- + DS- + HS- = FeDSDSHS- + 3HS-
-Fe(HS)3- + DS- + DS- + TS- = FeDSDSTS- + 3HS-
-Fe(HS)3- + DS- + DS- + H[34S]- = FeDSDSH[34S]- + 3HS-
-Fe(HS)3- + DS- + DS- + T[34S]- = FeDSDST[34S]- + 3HS-
-Fe(HS)3- + DS- + TS- + HS- = FeDSTSHS- + 3HS-
-Fe(HS)3- + DS- + TS- + DS- = FeDSTSDS- + 3HS-
-Fe(HS)3- + DS- + TS- + H[34S]- = FeDSTSH[34S]- + 3HS-
-Fe(HS)3- + DS- + TS- + D[34S]- = FeDSTSD[34S]- + 3HS-
-Fe(HS)3- + DS- + H[34S]- + HS- = FeDSH[34S]HS- + 3HS-
-Fe(HS)3- + DS- + H[34S]- + DS- = FeDSH[34S]DS- + 3HS-
-Fe(HS)3- + DS- + H[34S]- + TS- = FeDSH[34S]TS- + 3HS-
-Fe(HS)3- + DS- + H[34S]- + H[34S]- = FeDSH[34S]H[34S]- + 3HS-
-Fe(HS)3- + DS- + H[34S]- + D[34S]- = FeDSH[34S]D[34S]- + 3HS-
-Fe(HS)3- + DS- + H[34S]- + T[34S]- = FeDSH[34S]T[34S]- + 3HS-
-Fe(HS)3- + DS- + D[34S]- + HS- = FeDSD[34S]HS- + 3HS-
-Fe(HS)3- + DS- + D[34S]- + TS- = FeDSD[34S]TS- + 3HS-
-Fe(HS)3- + DS- + D[34S]- + H[34S]- = FeDSD[34S]H[34S]- + 3HS-
-Fe(HS)3- + DS- + T[34S]- + HS- = FeDST[34S]HS- + 3HS-
-Fe(HS)3- + DS- + T[34S]- + DS- = FeDST[34S]DS- + 3HS-
-Fe(HS)3- + DS- + T[34S]- + H[34S]- = FeDST[34S]H[34S]- + 3HS-
-Fe(HS)3- + TS- + HS- + HS- = FeTSHSHS- + 3HS-
-Fe(HS)3- + TS- + HS- + DS- = FeTSHSDS- + 3HS-
-Fe(HS)3- + TS- + HS- + H[34S]- = FeTSHSH[34S]- + 3HS-
-Fe(HS)3- + TS- + HS- + D[34S]- = FeTSHSD[34S]- + 3HS-
-Fe(HS)3- + TS- + DS- + HS- = FeTSDSHS- + 3HS-
-Fe(HS)3- + TS- + DS- + DS- = FeTSDSDS- + 3HS-
-Fe(HS)3- + TS- + DS- + H[34S]- = FeTSDSH[34S]- + 3HS-
-Fe(HS)3- + TS- + DS- + D[34S]- = FeTSDSD[34S]- + 3HS-
-Fe(HS)3- + TS- + H[34S]- + HS- = FeTSH[34S]HS- + 3HS-
-Fe(HS)3- + TS- + H[34S]- + DS- = FeTSH[34S]DS- + 3HS-
-Fe(HS)3- + TS- + H[34S]- + H[34S]- = FeTSH[34S]H[34S]- + 3HS-
-Fe(HS)3- + TS- + H[34S]- + D[34S]- = FeTSH[34S]D[34S]- + 3HS-
-Fe(HS)3- + TS- + D[34S]- + HS- = FeTSD[34S]HS- + 3HS-
-Fe(HS)3- + TS- + D[34S]- + DS- = FeTSD[34S]DS- + 3HS-
-Fe(HS)3- + TS- + D[34S]- + H[34S]- = FeTSD[34S]H[34S]- + 3HS-
-Fe(HS)3- + H[34S]- + HS- + HS- = FeH[34S]HSHS- + 3HS-
-Fe(HS)3- + H[34S]- + HS- + DS- = FeH[34S]HSDS- + 3HS-
-Fe(HS)3- + H[34S]- + HS- + TS- = FeH[34S]HSTS- + 3HS-
-Fe(HS)3- + H[34S]- + HS- + H[34S]- = FeH[34S]HSH[34S]- + 3HS-
-Fe(HS)3- + H[34S]- + HS- + D[34S]- = FeH[34S]HSD[34S]- + 3HS-
-Fe(HS)3- + H[34S]- + HS- + T[34S]- = FeH[34S]HST[34S]- + 3HS-
-Fe(HS)3- + H[34S]- + DS- + HS- = FeH[34S]DSHS- + 3HS-
-Fe(HS)3- + H[34S]- + DS- + DS- = FeH[34S]DSDS- + 3HS-
-Fe(HS)3- + H[34S]- + DS- + TS- = FeH[34S]DSTS- + 3HS-
-Fe(HS)3- + H[34S]- + DS- + H[34S]- = FeH[34S]DSH[34S]- + 3HS-
-Fe(HS)3- + H[34S]- + DS- + D[34S]- = FeH[34S]DSD[34S]- + 3HS-
-Fe(HS)3- + H[34S]- + DS- + T[34S]- = FeH[34S]DST[34S]- + 3HS-
-Fe(HS)3- + H[34S]- + TS- + HS- = FeH[34S]TSHS- + 3HS-
-Fe(HS)3- + H[34S]- + TS- + DS- = FeH[34S]TSDS- + 3HS-
-Fe(HS)3- + H[34S]- + TS- + H[34S]- = FeH[34S]TSH[34S]- + 3HS-
-Fe(HS)3- + H[34S]- + TS- + D[34S]- = FeH[34S]TSD[34S]- + 3HS-
-Fe(HS)3- + H[34S]- + H[34S]- + HS- = FeH[34S]H[34S]HS- + 3HS-
-Fe(HS)3- + H[34S]- + H[34S]- + DS- = FeH[34S]H[34S]DS- + 3HS-
-Fe(HS)3- + H[34S]- + H[34S]- + TS- = FeH[34S]H[34S]TS- + 3HS-
-Fe(HS)3- + H[34S]- + H[34S]- + H[34S]- = FeH[34S]H[34S]H[34S]- + 3HS-
-Fe(HS)3- + H[34S]- + H[34S]- + D[34S]- = FeH[34S]H[34S]D[34S]- + 3HS-
-Fe(HS)3- + H[34S]- + H[34S]- + T[34S]- = FeH[34S]H[34S]T[34S]- + 3HS-
-Fe(HS)3- + H[34S]- + D[34S]- + HS- = FeH[34S]D[34S]HS- + 3HS-
-Fe(HS)3- + H[34S]- + D[34S]- + DS- = FeH[34S]D[34S]DS- + 3HS-
-Fe(HS)3- + H[34S]- + D[34S]- + TS- = FeH[34S]D[34S]TS- + 3HS-
-Fe(HS)3- + H[34S]- + D[34S]- + H[34S]- = FeH[34S]D[34S]H[34S]- + 3HS-
-Fe(HS)3- + H[34S]- + T[34S]- + HS- = FeH[34S]T[34S]HS- + 3HS-
-Fe(HS)3- + H[34S]- + T[34S]- + DS- = FeH[34S]T[34S]DS- + 3HS-
-Fe(HS)3- + H[34S]- + T[34S]- + H[34S]- = FeH[34S]T[34S]H[34S]- + 3HS-
-Fe(HS)3- + D[34S]- + HS- + HS- = FeD[34S]HSHS- + 3HS-
-Fe(HS)3- + D[34S]- + HS- + DS- = FeD[34S]HSDS- + 3HS-
-Fe(HS)3- + D[34S]- + HS- + TS- = FeD[34S]HSTS- + 3HS-
-Fe(HS)3- + D[34S]- + HS- + H[34S]- = FeD[34S]HSH[34S]- + 3HS-
-Fe(HS)3- + D[34S]- + HS- + D[34S]- = FeD[34S]HSD[34S]- + 3HS-
-Fe(HS)3- + D[34S]- + HS- + T[34S]- = FeD[34S]HST[34S]- + 3HS-
-Fe(HS)3- + D[34S]- + DS- + HS- = FeD[34S]DSHS- + 3HS-
-Fe(HS)3- + D[34S]- + DS- + TS- = FeD[34S]DSTS- + 3HS-
-Fe(HS)3- + D[34S]- + DS- + H[34S]- = FeD[34S]DSH[34S]- + 3HS-
-Fe(HS)3- + D[34S]- + TS- + HS- = FeD[34S]TSHS- + 3HS-
-Fe(HS)3- + D[34S]- + TS- + DS- = FeD[34S]TSDS- + 3HS-
-Fe(HS)3- + D[34S]- + TS- + H[34S]- = FeD[34S]TSH[34S]- + 3HS-
-Fe(HS)3- + D[34S]- + H[34S]- + HS- = FeD[34S]H[34S]HS- + 3HS-
-Fe(HS)3- + D[34S]- + H[34S]- + DS- = FeD[34S]H[34S]DS- + 3HS-
-Fe(HS)3- + D[34S]- + H[34S]- + TS- = FeD[34S]H[34S]TS- + 3HS-
-Fe(HS)3- + D[34S]- + H[34S]- + H[34S]- = FeD[34S]H[34S]H[34S]- + 3HS-
-Fe(HS)3- + D[34S]- + D[34S]- + HS- = FeD[34S]D[34S]HS- + 3HS-
-Fe(HS)3- + D[34S]- + T[34S]- + HS- = FeD[34S]T[34S]HS- + 3HS-
-Fe(HS)3- + T[34S]- + HS- + HS- = FeT[34S]HSHS- + 3HS-
-Fe(HS)3- + T[34S]- + HS- + DS- = FeT[34S]HSDS- + 3HS-
-Fe(HS)3- + T[34S]- + HS- + H[34S]- = FeT[34S]HSH[34S]- + 3HS-
-Fe(HS)3- + T[34S]- + HS- + D[34S]- = FeT[34S]HSD[34S]- + 3HS-
-Fe(HS)3- + T[34S]- + DS- + HS- = FeT[34S]DSHS- + 3HS-
-Fe(HS)3- + T[34S]- + DS- + DS- = FeT[34S]DSDS- + 3HS-
-Fe(HS)3- + T[34S]- + DS- + H[34S]- = FeT[34S]DSH[34S]- + 3HS-
-Fe(HS)3- + T[34S]- + H[34S]- + HS- = FeT[34S]H[34S]HS- + 3HS-
-Fe(HS)3- + T[34S]- + H[34S]- + DS- = FeT[34S]H[34S]DS- + 3HS-
-Fe(HS)3- + T[34S]- + H[34S]- + H[34S]- = FeT[34S]H[34S]H[34S]- + 3HS-
-Fe(HS)3- + T[34S]- + D[34S]- + HS- = FeT[34S]D[34S]HS- + 3HS-
-#
-# Missing FeHPO4 reactions
-#
-#
-# Missing FeH2PO4+ reactions
-#
-#
-# Added FeOH+2 reactions 16Dec09
-#
-FeOH+2 + OD- = FeOD+2 + OH-
-FeOH+2 + OT- = FeOT+2 + OH-
-FeOH+2 + [18O]H- = Fe[18O]H+2 + OH-
-FeOH+2 + [18O]D- = Fe[18O]D+2 + OH-
-FeOH+2 + [18O]T- = Fe[18O]T+2 + OH-
-#
-# Added Fe(OH)2+ reactions 16Dec09
-# Revised 17Dec09, limited the number of species
-#
-Fe(OH)2+ + OH- + OD- = FeOHOD+ + 2OH-
-Fe(OH)2+ + OH- + OT- = FeOHOT+ + 2OH-
-Fe(OH)2+ + OH- + [18O]H- = FeOH[18O]H+ + 2OH-
-Fe(OH)2+ + OH- + [18O]D- = FeOH[18O]D+ + 2OH-
-Fe(OH)2+ + OH- + [18O]T- = FeOH[18O]T+ + 2OH-
-Fe(OH)2+ + OD- + OH- = FeODOH+ + 2OH-
-Fe(OH)2+ + OD- + OD- = FeODOD+ + 2OH-
-Fe(OH)2+ + OD- + OT- = FeODOT+ + 2OH-
-Fe(OH)2+ + OD- + [18O]H- = FeOD[18O]H+ + 2OH-
-Fe(OH)2+ + OD- + [18O]D- = FeOD[18O]D+ + 2OH-
-Fe(OH)2+ + OD- + [18O]T- = FeOD[18O]T+ + 2OH-
-Fe(OH)2+ + OT- + OH- = FeOTOH+ + 2OH-
-Fe(OH)2+ + OT- + OD- = FeOTOD+ + 2OH-
-Fe(OH)2+ + OT- + [18O]H- = FeOT[18O]H+ + 2OH-
-Fe(OH)2+ + OT- + [18O]D- = FeOT[18O]D+ + 2OH-
-Fe(OH)2+ + [18O]H- + OH- = Fe[18O]HOH+ + 2OH-
-Fe(OH)2+ + [18O]H- + OD- = Fe[18O]HOD+ + 2OH-
-Fe(OH)2+ + [18O]H- + OT- = Fe[18O]HOT+ + 2OH-
-Fe(OH)2+ + [18O]H- + [18O]H- = Fe[18O]H[18O]H+ + 2OH-
-Fe(OH)2+ + [18O]H- + [18O]D- = Fe[18O]H[18O]D+ + 2OH-
-Fe(OH)2+ + [18O]H- + [18O]T- = Fe[18O]H[18O]T+ + 2OH-
-Fe(OH)2+ + [18O]D- + OH- = Fe[18O]DOH+ + 2OH-
-Fe(OH)2+ + [18O]D- + OD- = Fe[18O]DOD+ + 2OH-
-Fe(OH)2+ + [18O]D- + OT- = Fe[18O]DOT+ + 2OH-
-Fe(OH)2+ + [18O]D- + [18O]H- = Fe[18O]D[18O]H+ + 2OH-
-Fe(OH)2+ + [18O]D- + [18O]D- = Fe[18O]D[18O]D+ + 2OH-
-Fe(OH)2+ + [18O]D- + [18O]T- = Fe[18O]D[18O]T+ + 2OH-
-Fe(OH)2+ + [18O]T- + OH- = Fe[18O]TOH+ + 2OH-
-Fe(OH)2+ + [18O]T- + OD- = Fe[18O]TOD+ + 2OH-
-Fe(OH)2+ + [18O]T- + [18O]H- = Fe[18O]T[18O]H+ + 2OH-
-Fe(OH)2+ + [18O]T- + [18O]D- = Fe[18O]T[18O]D+ + 2OH-
-#
-# Added Fe(OH)3 reactions 16Dec09
-# Revised 17Dec09, limited the number of species
-#
-Fe(OH)3 + OH- + OH- + OD- = FeOHOHOD + 3OH-
-Fe(OH)3 + OH- + OH- + OT- = FeOHOHOT + 3OH-
-Fe(OH)3 + OH- + OH- + [18O]H- = FeOHOH[18O]H + 3OH-
-Fe(OH)3 + OH- + OH- + [18O]D- = FeOHOH[18O]D + 3OH-
-Fe(OH)3 + OH- + OH- + [18O]T- = FeOHOH[18O]T + 3OH-
-Fe(OH)3 + OH- + OD- + OH- = FeOHODOH + 3OH-
-Fe(OH)3 + OH- + OD- + OD- = FeOHODOD + 3OH-
-Fe(OH)3 + OH- + OD- + OT- = FeOHODOT + 3OH-
-Fe(OH)3 + OH- + OD- + [18O]H- = FeOHOD[18O]H + 3OH-
-Fe(OH)3 + OH- + OD- + [18O]D- = FeOHOD[18O]D + 3OH-
-Fe(OH)3 + OH- + OD- + [18O]T- = FeOHOD[18O]T + 3OH-
-Fe(OH)3 + OH- + OT- + OH- = FeOHOTOH + 3OH-
-Fe(OH)3 + OH- + OT- + OD- = FeOHOTOD + 3OH-
-Fe(OH)3 + OH- + OT- + [18O]H- = FeOHOT[18O]H + 3OH-
-Fe(OH)3 + OH- + OT- + [18O]D- = FeOHOT[18O]D + 3OH-
-Fe(OH)3 + OH- + [18O]H- + OH- = FeOH[18O]HOH + 3OH-
-Fe(OH)3 + OH- + [18O]H- + OD- = FeOH[18O]HOD + 3OH-
-Fe(OH)3 + OH- + [18O]H- + OT- = FeOH[18O]HOT + 3OH-
-Fe(OH)3 + OH- + [18O]H- + [18O]H- = FeOH[18O]H[18O]H + 3OH-
-Fe(OH)3 + OH- + [18O]H- + [18O]D- = FeOH[18O]H[18O]D + 3OH-
-Fe(OH)3 + OH- + [18O]H- + [18O]T- = FeOH[18O]H[18O]T + 3OH-
-Fe(OH)3 + OH- + [18O]D- + OH- = FeOH[18O]DOH + 3OH-
-Fe(OH)3 + OH- + [18O]D- + OD- = FeOH[18O]DOD + 3OH-
-Fe(OH)3 + OH- + [18O]D- + OT- = FeOH[18O]DOT + 3OH-
-Fe(OH)3 + OH- + [18O]D- + [18O]H- = FeOH[18O]D[18O]H + 3OH-
-Fe(OH)3 + OH- + [18O]D- + [18O]D- = FeOH[18O]D[18O]D + 3OH-
-Fe(OH)3 + OH- + [18O]D- + [18O]T- = FeOH[18O]D[18O]T + 3OH-
-Fe(OH)3 + OH- + [18O]T- + OH- = FeOH[18O]TOH + 3OH-
-Fe(OH)3 + OH- + [18O]T- + OD- = FeOH[18O]TOD + 3OH-
-Fe(OH)3 + OH- + [18O]T- + [18O]H- = FeOH[18O]T[18O]H + 3OH-
-Fe(OH)3 + OH- + [18O]T- + [18O]D- = FeOH[18O]T[18O]D + 3OH-
-Fe(OH)3 + OD- + OH- + OH- = FeODOHOH + 3OH-
-Fe(OH)3 + OD- + OH- + OD- = FeODOHOD + 3OH-
-Fe(OH)3 + OD- + OH- + OT- = FeODOHOT + 3OH-
-Fe(OH)3 + OD- + OH- + [18O]H- = FeODOH[18O]H + 3OH-
-Fe(OH)3 + OD- + OH- + [18O]D- = FeODOH[18O]D + 3OH-
-Fe(OH)3 + OD- + OH- + [18O]T- = FeODOH[18O]T + 3OH-
-Fe(OH)3 + OD- + OD- + OH- = FeODODOH + 3OH-
-Fe(OH)3 + OD- + OD- + OT- = FeODODOT + 3OH-
-Fe(OH)3 + OD- + OD- + [18O]H- = FeODOD[18O]H + 3OH-
-Fe(OH)3 + OD- + OD- + [18O]T- = FeODOD[18O]T + 3OH-
-Fe(OH)3 + OD- + OT- + OH- = FeODOTOH + 3OH-
-Fe(OH)3 + OD- + OT- + OD- = FeODOTOD + 3OH-
-Fe(OH)3 + OD- + OT- + [18O]H- = FeODOT[18O]H + 3OH-
-Fe(OH)3 + OD- + OT- + [18O]D- = FeODOT[18O]D + 3OH-
-Fe(OH)3 + OD- + [18O]H- + OH- = FeOD[18O]HOH + 3OH-
-Fe(OH)3 + OD- + [18O]H- + OD- = FeOD[18O]HOD + 3OH-
-Fe(OH)3 + OD- + [18O]H- + OT- = FeOD[18O]HOT + 3OH-
-Fe(OH)3 + OD- + [18O]H- + [18O]H- = FeOD[18O]H[18O]H + 3OH-
-Fe(OH)3 + OD- + [18O]H- + [18O]D- = FeOD[18O]H[18O]D + 3OH-
-Fe(OH)3 + OD- + [18O]H- + [18O]T- = FeOD[18O]H[18O]T + 3OH-
-Fe(OH)3 + OD- + [18O]D- + OH- = FeOD[18O]DOH + 3OH-
-Fe(OH)3 + OD- + [18O]D- + OT- = FeOD[18O]DOT + 3OH-
-Fe(OH)3 + OD- + [18O]D- + [18O]H- = FeOD[18O]D[18O]H + 3OH-
-Fe(OH)3 + OD- + [18O]T- + OH- = FeOD[18O]TOH + 3OH-
-Fe(OH)3 + OD- + [18O]T- + OD- = FeOD[18O]TOD + 3OH-
-Fe(OH)3 + OD- + [18O]T- + [18O]H- = FeOD[18O]T[18O]H + 3OH-
-Fe(OH)3 + OT- + OH- + OH- = FeOTOHOH + 3OH-
-Fe(OH)3 + OT- + OH- + OD- = FeOTOHOD + 3OH-
-Fe(OH)3 + OT- + OH- + [18O]H- = FeOTOH[18O]H + 3OH-
-Fe(OH)3 + OT- + OH- + [18O]D- = FeOTOH[18O]D + 3OH-
-Fe(OH)3 + OT- + OD- + OH- = FeOTODOH + 3OH-
-Fe(OH)3 + OT- + OD- + OD- = FeOTODOD + 3OH-
-Fe(OH)3 + OT- + OD- + [18O]H- = FeOTOD[18O]H + 3OH-
-Fe(OH)3 + OT- + OD- + [18O]D- = FeOTOD[18O]D + 3OH-
-Fe(OH)3 + OT- + [18O]H- + OH- = FeOT[18O]HOH + 3OH-
-Fe(OH)3 + OT- + [18O]H- + OD- = FeOT[18O]HOD + 3OH-
-Fe(OH)3 + OT- + [18O]H- + [18O]H- = FeOT[18O]H[18O]H + 3OH-
-Fe(OH)3 + OT- + [18O]H- + [18O]D- = FeOT[18O]H[18O]D + 3OH-
-Fe(OH)3 + OT- + [18O]D- + OH- = FeOT[18O]DOH + 3OH-
-Fe(OH)3 + OT- + [18O]D- + OD- = FeOT[18O]DOD + 3OH-
-Fe(OH)3 + OT- + [18O]D- + [18O]H- = FeOT[18O]D[18O]H + 3OH-
-Fe(OH)3 + [18O]H- + OH- + OH- = Fe[18O]HOHOH + 3OH-
-Fe(OH)3 + [18O]H- + OH- + OD- = Fe[18O]HOHOD + 3OH-
-Fe(OH)3 + [18O]H- + OH- + OT- = Fe[18O]HOHOT + 3OH-
-Fe(OH)3 + [18O]H- + OH- + [18O]H- = Fe[18O]HOH[18O]H + 3OH-
-Fe(OH)3 + [18O]H- + OH- + [18O]D- = Fe[18O]HOH[18O]D + 3OH-
-Fe(OH)3 + [18O]H- + OH- + [18O]T- = Fe[18O]HOH[18O]T + 3OH-
-Fe(OH)3 + [18O]H- + OD- + OH- = Fe[18O]HODOH + 3OH-
-Fe(OH)3 + [18O]H- + OD- + OD- = Fe[18O]HODOD + 3OH-
-Fe(OH)3 + [18O]H- + OD- + OT- = Fe[18O]HODOT + 3OH-
-Fe(OH)3 + [18O]H- + OD- + [18O]H- = Fe[18O]HOD[18O]H + 3OH-
-Fe(OH)3 + [18O]H- + OD- + [18O]D- = Fe[18O]HOD[18O]D + 3OH-
-Fe(OH)3 + [18O]H- + OD- + [18O]T- = Fe[18O]HOD[18O]T + 3OH-
-Fe(OH)3 + [18O]H- + OT- + OH- = Fe[18O]HOTOH + 3OH-
-Fe(OH)3 + [18O]H- + OT- + OD- = Fe[18O]HOTOD + 3OH-
-Fe(OH)3 + [18O]H- + OT- + [18O]H- = Fe[18O]HOT[18O]H + 3OH-
-Fe(OH)3 + [18O]H- + OT- + [18O]D- = Fe[18O]HOT[18O]D + 3OH-
-Fe(OH)3 + [18O]H- + [18O]H- + OH- = Fe[18O]H[18O]HOH + 3OH-
-Fe(OH)3 + [18O]H- + [18O]H- + OD- = Fe[18O]H[18O]HOD + 3OH-
-Fe(OH)3 + [18O]H- + [18O]H- + OT- = Fe[18O]H[18O]HOT + 3OH-
-Fe(OH)3 + [18O]H- + [18O]D- + OH- = Fe[18O]H[18O]DOH + 3OH-
-Fe(OH)3 + [18O]H- + [18O]D- + OD- = Fe[18O]H[18O]DOD + 3OH-
-Fe(OH)3 + [18O]H- + [18O]D- + OT- = Fe[18O]H[18O]DOT + 3OH-
-Fe(OH)3 + [18O]H- + [18O]T- + OH- = Fe[18O]H[18O]TOH + 3OH-
-Fe(OH)3 + [18O]H- + [18O]T- + OD- = Fe[18O]H[18O]TOD + 3OH-
-Fe(OH)3 + [18O]D- + OH- + OH- = Fe[18O]DOHOH + 3OH-
-Fe(OH)3 + [18O]D- + OH- + OD- = Fe[18O]DOHOD + 3OH-
-Fe(OH)3 + [18O]D- + OH- + OT- = Fe[18O]DOHOT + 3OH-
-Fe(OH)3 + [18O]D- + OH- + [18O]H- = Fe[18O]DOH[18O]H + 3OH-
-Fe(OH)3 + [18O]D- + OH- + [18O]D- = Fe[18O]DOH[18O]D + 3OH-
-Fe(OH)3 + [18O]D- + OH- + [18O]T- = Fe[18O]DOH[18O]T + 3OH-
-Fe(OH)3 + [18O]D- + OD- + OH- = Fe[18O]DODOH + 3OH-
-Fe(OH)3 + [18O]D- + OD- + OT- = Fe[18O]DODOT + 3OH-
-Fe(OH)3 + [18O]D- + OD- + [18O]H- = Fe[18O]DOD[18O]H + 3OH-
-Fe(OH)3 + [18O]D- + OT- + OH- = Fe[18O]DOTOH + 3OH-
-Fe(OH)3 + [18O]D- + OT- + OD- = Fe[18O]DOTOD + 3OH-
-Fe(OH)3 + [18O]D- + OT- + [18O]H- = Fe[18O]DOT[18O]H + 3OH-
-Fe(OH)3 + [18O]D- + [18O]H- + OH- = Fe[18O]D[18O]HOH + 3OH-
-Fe(OH)3 + [18O]D- + [18O]H- + OD- = Fe[18O]D[18O]HOD + 3OH-
-Fe(OH)3 + [18O]D- + [18O]H- + OT- = Fe[18O]D[18O]HOT + 3OH-
-Fe(OH)3 + [18O]D- + [18O]D- + OH- = Fe[18O]D[18O]DOH + 3OH-
-Fe(OH)3 + [18O]D- + [18O]T- + OH- = Fe[18O]D[18O]TOH + 3OH-
-Fe(OH)3 + [18O]T- + OH- + OH- = Fe[18O]TOHOH + 3OH-
-Fe(OH)3 + [18O]T- + OH- + OD- = Fe[18O]TOHOD + 3OH-
-Fe(OH)3 + [18O]T- + OH- + [18O]H- = Fe[18O]TOH[18O]H + 3OH-
-Fe(OH)3 + [18O]T- + OH- + [18O]D- = Fe[18O]TOH[18O]D + 3OH-
-Fe(OH)3 + [18O]T- + OD- + OH- = Fe[18O]TODOH + 3OH-
-Fe(OH)3 + [18O]T- + OD- + OD- = Fe[18O]TODOD + 3OH-
-Fe(OH)3 + [18O]T- + OD- + [18O]H- = Fe[18O]TOD[18O]H + 3OH-
-Fe(OH)3 + [18O]T- + [18O]H- + OH- = Fe[18O]T[18O]HOH + 3OH-
-Fe(OH)3 + [18O]T- + [18O]H- + OD- = Fe[18O]T[18O]HOD + 3OH-
-Fe(OH)3 + [18O]T- + [18O]D- + OH- = Fe[18O]T[18O]DOH + 3OH-
-#
-# Added Fe(OH)4- reactions 16Dec09
-# Revised 17Dec09, limited the number of species
-#
-Fe(OH)4- + OH- + OH- + OH- + OD- = FeOHOHOHOD- + 4OH-
-Fe(OH)4- + OH- + OH- + OH- + OT- = FeOHOHOHOT- + 4OH-
-Fe(OH)4- + OH- + OH- + OH- + [18O]H- = FeOHOHOH[18O]H- + 4OH-
-Fe(OH)4- + OH- + OH- + OH- + [18O]D- = FeOHOHOH[18O]D- + 4OH-
-Fe(OH)4- + OH- + OH- + OH- + [18O]T- = FeOHOHOH[18O]T- + 4OH-
-Fe(OH)4- + OH- + OH- + OD- + OH- = FeOHOHODOH- + 4OH-
-Fe(OH)4- + OH- + OH- + OD- + OD- = FeOHOHODOD- + 4OH-
-Fe(OH)4- + OH- + OH- + OD- + OT- = FeOHOHODOT- + 4OH-
-Fe(OH)4- + OH- + OH- + OD- + [18O]H- = FeOHOHOD[18O]H- + 4OH-
-Fe(OH)4- + OH- + OH- + OD- + [18O]D- = FeOHOHOD[18O]D- + 4OH-
-Fe(OH)4- + OH- + OH- + OD- + [18O]T- = FeOHOHOD[18O]T- + 4OH-
-Fe(OH)4- + OH- + OH- + OT- + OH- = FeOHOHOTOH- + 4OH-
-Fe(OH)4- + OH- + OH- + OT- + OD- = FeOHOHOTOD- + 4OH-
-Fe(OH)4- + OH- + OH- + OT- + [18O]H- = FeOHOHOT[18O]H- + 4OH-
-Fe(OH)4- + OH- + OH- + OT- + [18O]D- = FeOHOHOT[18O]D- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]H- + OH- = FeOHOH[18O]HOH- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]H- + OD- = FeOHOH[18O]HOD- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]H- + OT- = FeOHOH[18O]HOT- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]H- + [18O]H- = FeOHOH[18O]H[18O]H- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]H- + [18O]D- = FeOHOH[18O]H[18O]D- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]H- + [18O]T- = FeOHOH[18O]H[18O]T- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]D- + OH- = FeOHOH[18O]DOH- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]D- + OD- = FeOHOH[18O]DOD- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]D- + OT- = FeOHOH[18O]DOT- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]D- + [18O]H- = FeOHOH[18O]D[18O]H- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]D- + [18O]D- = FeOHOH[18O]D[18O]D- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]D- + [18O]T- = FeOHOH[18O]D[18O]T- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]T- + OH- = FeOHOH[18O]TOH- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]T- + OD- = FeOHOH[18O]TOD- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]T- + [18O]H- = FeOHOH[18O]T[18O]H- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]T- + [18O]D- = FeOHOH[18O]T[18O]D- + 4OH-
-Fe(OH)4- + OH- + OD- + OH- + OH- = FeOHODOHOH- + 4OH-
-Fe(OH)4- + OH- + OD- + OH- + OD- = FeOHODOHOD- + 4OH-
-Fe(OH)4- + OH- + OD- + OH- + OT- = FeOHODOHOT- + 4OH-
-Fe(OH)4- + OH- + OD- + OH- + [18O]H- = FeOHODOH[18O]H- + 4OH-
-Fe(OH)4- + OH- + OD- + OH- + [18O]D- = FeOHODOH[18O]D- + 4OH-
-Fe(OH)4- + OH- + OD- + OH- + [18O]T- = FeOHODOH[18O]T- + 4OH-
-Fe(OH)4- + OH- + OD- + OD- + OH- = FeOHODODOH- + 4OH-
-Fe(OH)4- + OH- + OD- + OD- + OT- = FeOHODODOT- + 4OH-
-Fe(OH)4- + OH- + OD- + OD- + [18O]H- = FeOHODOD[18O]H- + 4OH-
-Fe(OH)4- + OH- + OD- + OD- + [18O]T- = FeOHODOD[18O]T- + 4OH-
-Fe(OH)4- + OH- + OD- + OT- + OH- = FeOHODOTOH- + 4OH-
-Fe(OH)4- + OH- + OD- + OT- + OD- = FeOHODOTOD- + 4OH-
-Fe(OH)4- + OH- + OD- + OT- + [18O]H- = FeOHODOT[18O]H- + 4OH-
-Fe(OH)4- + OH- + OD- + OT- + [18O]D- = FeOHODOT[18O]D- + 4OH-
-Fe(OH)4- + OH- + OD- + [18O]H- + OH- = FeOHOD[18O]HOH- + 4OH-
-Fe(OH)4- + OH- + OD- + [18O]H- + OD- = FeOHOD[18O]HOD- + 4OH-
-Fe(OH)4- + OH- + OD- + [18O]H- + OT- = FeOHOD[18O]HOT- + 4OH-
-Fe(OH)4- + OH- + OD- + [18O]H- + [18O]H- = FeOHOD[18O]H[18O]H- + 4OH-
-Fe(OH)4- + OH- + OD- + [18O]H- + [18O]D- = FeOHOD[18O]H[18O]D- + 4OH-
-Fe(OH)4- + OH- + OD- + [18O]H- + [18O]T- = FeOHOD[18O]H[18O]T- + 4OH-
-Fe(OH)4- + OH- + OD- + [18O]D- + OH- = FeOHOD[18O]DOH- + 4OH-
-Fe(OH)4- + OH- + OD- + [18O]D- + OT- = FeOHOD[18O]DOT- + 4OH-
-Fe(OH)4- + OH- + OD- + [18O]D- + [18O]H- = FeOHOD[18O]D[18O]H- + 4OH-
-Fe(OH)4- + OH- + OD- + [18O]T- + OH- = FeOHOD[18O]TOH- + 4OH-
-Fe(OH)4- + OH- + OD- + [18O]T- + OD- = FeOHOD[18O]TOD- + 4OH-
-Fe(OH)4- + OH- + OD- + [18O]T- + [18O]H- = FeOHOD[18O]T[18O]H- + 4OH-
-Fe(OH)4- + OH- + OT- + OH- + OH- = FeOHOTOHOH- + 4OH-
-Fe(OH)4- + OH- + OT- + OH- + OD- = FeOHOTOHOD- + 4OH-
-Fe(OH)4- + OH- + OT- + OH- + [18O]H- = FeOHOTOH[18O]H- + 4OH-
-Fe(OH)4- + OH- + OT- + OH- + [18O]D- = FeOHOTOH[18O]D- + 4OH-
-Fe(OH)4- + OH- + OT- + OD- + OH- = FeOHOTODOH- + 4OH-
-Fe(OH)4- + OH- + OT- + OD- + OD- = FeOHOTODOD- + 4OH-
-Fe(OH)4- + OH- + OT- + OD- + [18O]H- = FeOHOTOD[18O]H- + 4OH-
-Fe(OH)4- + OH- + OT- + OD- + [18O]D- = FeOHOTOD[18O]D- + 4OH-
-Fe(OH)4- + OH- + OT- + [18O]H- + OH- = FeOHOT[18O]HOH- + 4OH-
-Fe(OH)4- + OH- + OT- + [18O]H- + OD- = FeOHOT[18O]HOD- + 4OH-
-Fe(OH)4- + OH- + OT- + [18O]H- + [18O]H- = FeOHOT[18O]H[18O]H- + 4OH-
-Fe(OH)4- + OH- + OT- + [18O]H- + [18O]D- = FeOHOT[18O]H[18O]D- + 4OH-
-Fe(OH)4- + OH- + OT- + [18O]D- + OH- = FeOHOT[18O]DOH- + 4OH-
-Fe(OH)4- + OH- + OT- + [18O]D- + OD- = FeOHOT[18O]DOD- + 4OH-
-Fe(OH)4- + OH- + OT- + [18O]D- + [18O]H- = FeOHOT[18O]D[18O]H- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OH- + OH- = FeOH[18O]HOHOH- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OH- + OD- = FeOH[18O]HOHOD- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OH- + OT- = FeOH[18O]HOHOT- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OH- + [18O]H- = FeOH[18O]HOH[18O]H- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OH- + [18O]D- = FeOH[18O]HOH[18O]D- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OH- + [18O]T- = FeOH[18O]HOH[18O]T- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OD- + OH- = FeOH[18O]HODOH- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OD- + OD- = FeOH[18O]HODOD- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OD- + OT- = FeOH[18O]HODOT- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OD- + [18O]H- = FeOH[18O]HOD[18O]H- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OD- + [18O]D- = FeOH[18O]HOD[18O]D- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OD- + [18O]T- = FeOH[18O]HOD[18O]T- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OT- + OH- = FeOH[18O]HOTOH- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OT- + OD- = FeOH[18O]HOTOD- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OT- + [18O]H- = FeOH[18O]HOT[18O]H- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OT- + [18O]D- = FeOH[18O]HOT[18O]D- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + [18O]H- + OH- = FeOH[18O]H[18O]HOH- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + [18O]H- + OD- = FeOH[18O]H[18O]HOD- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + [18O]H- + OT- = FeOH[18O]H[18O]HOT- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + [18O]D- + OH- = FeOH[18O]H[18O]DOH- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + [18O]D- + OD- = FeOH[18O]H[18O]DOD- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + [18O]D- + OT- = FeOH[18O]H[18O]DOT- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + [18O]T- + OH- = FeOH[18O]H[18O]TOH- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + [18O]T- + OD- = FeOH[18O]H[18O]TOD- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + OH- + OH- = FeOH[18O]DOHOH- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + OH- + OD- = FeOH[18O]DOHOD- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + OH- + OT- = FeOH[18O]DOHOT- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + OH- + [18O]H- = FeOH[18O]DOH[18O]H- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + OH- + [18O]D- = FeOH[18O]DOH[18O]D- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + OH- + [18O]T- = FeOH[18O]DOH[18O]T- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + OD- + OH- = FeOH[18O]DODOH- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + OD- + OT- = FeOH[18O]DODOT- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + OD- + [18O]H- = FeOH[18O]DOD[18O]H- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + OT- + OH- = FeOH[18O]DOTOH- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + OT- + OD- = FeOH[18O]DOTOD- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + OT- + [18O]H- = FeOH[18O]DOT[18O]H- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + [18O]H- + OH- = FeOH[18O]D[18O]HOH- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + [18O]H- + OD- = FeOH[18O]D[18O]HOD- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + [18O]H- + OT- = FeOH[18O]D[18O]HOT- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + [18O]D- + OH- = FeOH[18O]D[18O]DOH- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + [18O]T- + OH- = FeOH[18O]D[18O]TOH- + 4OH-
-Fe(OH)4- + OH- + [18O]T- + OH- + OH- = FeOH[18O]TOHOH- + 4OH-
-Fe(OH)4- + OH- + [18O]T- + OH- + OD- = FeOH[18O]TOHOD- + 4OH-
-Fe(OH)4- + OH- + [18O]T- + OH- + [18O]H- = FeOH[18O]TOH[18O]H- + 4OH-
-Fe(OH)4- + OH- + [18O]T- + OH- + [18O]D- = FeOH[18O]TOH[18O]D- + 4OH-
-Fe(OH)4- + OH- + [18O]T- + OD- + OH- = FeOH[18O]TODOH- + 4OH-
-Fe(OH)4- + OH- + [18O]T- + OD- + OD- = FeOH[18O]TODOD- + 4OH-
-Fe(OH)4- + OH- + [18O]T- + OD- + [18O]H- = FeOH[18O]TOD[18O]H- + 4OH-
-Fe(OH)4- + OH- + [18O]T- + [18O]H- + OH- = FeOH[18O]T[18O]HOH- + 4OH-
-Fe(OH)4- + OH- + [18O]T- + [18O]H- + OD- = FeOH[18O]T[18O]HOD- + 4OH-
-Fe(OH)4- + OH- + [18O]T- + [18O]D- + OH- = FeOH[18O]T[18O]DOH- + 4OH-
-Fe(OH)4- + OD- + OH- + OH- + OH- = FeODOHOHOH- + 4OH-
-Fe(OH)4- + OD- + OH- + OH- + OD- = FeODOHOHOD- + 4OH-
-Fe(OH)4- + OD- + OH- + OH- + OT- = FeODOHOHOT- + 4OH-
-Fe(OH)4- + OD- + OH- + OH- + [18O]H- = FeODOHOH[18O]H- + 4OH-
-Fe(OH)4- + OD- + OH- + OH- + [18O]D- = FeODOHOH[18O]D- + 4OH-
-Fe(OH)4- + OD- + OH- + OH- + [18O]T- = FeODOHOH[18O]T- + 4OH-
-Fe(OH)4- + OD- + OH- + OD- + OH- = FeODOHODOH- + 4OH-
-Fe(OH)4- + OD- + OH- + OD- + OT- = FeODOHODOT- + 4OH-
-Fe(OH)4- + OD- + OH- + OD- + [18O]H- = FeODOHOD[18O]H- + 4OH-
-Fe(OH)4- + OD- + OH- + OD- + [18O]T- = FeODOHOD[18O]T- + 4OH-
-Fe(OH)4- + OD- + OH- + OT- + OH- = FeODOHOTOH- + 4OH-
-Fe(OH)4- + OD- + OH- + OT- + OD- = FeODOHOTOD- + 4OH-
-Fe(OH)4- + OD- + OH- + OT- + [18O]H- = FeODOHOT[18O]H- + 4OH-
-Fe(OH)4- + OD- + OH- + OT- + [18O]D- = FeODOHOT[18O]D- + 4OH-
-Fe(OH)4- + OD- + OH- + [18O]H- + OH- = FeODOH[18O]HOH- + 4OH-
-Fe(OH)4- + OD- + OH- + [18O]H- + OD- = FeODOH[18O]HOD- + 4OH-
-Fe(OH)4- + OD- + OH- + [18O]H- + OT- = FeODOH[18O]HOT- + 4OH-
-Fe(OH)4- + OD- + OH- + [18O]H- + [18O]H- = FeODOH[18O]H[18O]H- + 4OH-
-Fe(OH)4- + OD- + OH- + [18O]H- + [18O]D- = FeODOH[18O]H[18O]D- + 4OH-
-Fe(OH)4- + OD- + OH- + [18O]H- + [18O]T- = FeODOH[18O]H[18O]T- + 4OH-
-Fe(OH)4- + OD- + OH- + [18O]D- + OH- = FeODOH[18O]DOH- + 4OH-
-Fe(OH)4- + OD- + OH- + [18O]D- + OT- = FeODOH[18O]DOT- + 4OH-
-Fe(OH)4- + OD- + OH- + [18O]D- + [18O]H- = FeODOH[18O]D[18O]H- + 4OH-
-Fe(OH)4- + OD- + OH- + [18O]T- + OH- = FeODOH[18O]TOH- + 4OH-
-Fe(OH)4- + OD- + OH- + [18O]T- + OD- = FeODOH[18O]TOD- + 4OH-
-Fe(OH)4- + OD- + OH- + [18O]T- + [18O]H- = FeODOH[18O]T[18O]H- + 4OH-
-Fe(OH)4- + OD- + OD- + OH- + OH- = FeODODOHOH- + 4OH-
-Fe(OH)4- + OD- + OD- + OH- + OT- = FeODODOHOT- + 4OH-
-Fe(OH)4- + OD- + OD- + OH- + [18O]H- = FeODODOH[18O]H- + 4OH-
-Fe(OH)4- + OD- + OD- + OH- + [18O]T- = FeODODOH[18O]T- + 4OH-
-Fe(OH)4- + OD- + OD- + OT- + OH- = FeODODOTOH- + 4OH-
-Fe(OH)4- + OD- + OD- + OT- + [18O]H- = FeODODOT[18O]H- + 4OH-
-Fe(OH)4- + OD- + OD- + [18O]H- + OH- = FeODOD[18O]HOH- + 4OH-
-Fe(OH)4- + OD- + OD- + [18O]H- + OT- = FeODOD[18O]HOT- + 4OH-
-Fe(OH)4- + OD- + OD- + [18O]H- + [18O]H- = FeODOD[18O]H[18O]H- + 4OH-
-Fe(OH)4- + OD- + OD- + [18O]T- + OH- = FeODOD[18O]TOH- + 4OH-
-Fe(OH)4- + OD- + OT- + OH- + OH- = FeODOTOHOH- + 4OH-
-Fe(OH)4- + OD- + OT- + OH- + OD- = FeODOTOHOD- + 4OH-
-Fe(OH)4- + OD- + OT- + OH- + [18O]H- = FeODOTOH[18O]H- + 4OH-
-Fe(OH)4- + OD- + OT- + OH- + [18O]D- = FeODOTOH[18O]D- + 4OH-
-Fe(OH)4- + OD- + OT- + OD- + OH- = FeODOTODOH- + 4OH-
-Fe(OH)4- + OD- + OT- + OD- + [18O]H- = FeODOTOD[18O]H- + 4OH-
-Fe(OH)4- + OD- + OT- + [18O]H- + OH- = FeODOT[18O]HOH- + 4OH-
-Fe(OH)4- + OD- + OT- + [18O]H- + OD- = FeODOT[18O]HOD- + 4OH-
-Fe(OH)4- + OD- + OT- + [18O]H- + [18O]H- = FeODOT[18O]H[18O]H- + 4OH-
-Fe(OH)4- + OD- + OT- + [18O]D- + OH- = FeODOT[18O]DOH- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + OH- + OH- = FeOD[18O]HOHOH- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + OH- + OD- = FeOD[18O]HOHOD- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + OH- + OT- = FeOD[18O]HOHOT- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + OH- + [18O]H- = FeOD[18O]HOH[18O]H- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + OH- + [18O]D- = FeOD[18O]HOH[18O]D- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + OH- + [18O]T- = FeOD[18O]HOH[18O]T- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + OD- + OH- = FeOD[18O]HODOH- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + OD- + OT- = FeOD[18O]HODOT- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + OD- + [18O]H- = FeOD[18O]HOD[18O]H- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + OT- + OH- = FeOD[18O]HOTOH- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + OT- + OD- = FeOD[18O]HOTOD- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + OT- + [18O]H- = FeOD[18O]HOT[18O]H- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + [18O]H- + OH- = FeOD[18O]H[18O]HOH- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + [18O]H- + OD- = FeOD[18O]H[18O]HOD- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + [18O]H- + OT- = FeOD[18O]H[18O]HOT- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + [18O]D- + OH- = FeOD[18O]H[18O]DOH- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + [18O]T- + OH- = FeOD[18O]H[18O]TOH- + 4OH-
-Fe(OH)4- + OD- + [18O]D- + OH- + OH- = FeOD[18O]DOHOH- + 4OH-
-Fe(OH)4- + OD- + [18O]D- + OH- + OT- = FeOD[18O]DOHOT- + 4OH-
-Fe(OH)4- + OD- + [18O]D- + OH- + [18O]H- = FeOD[18O]DOH[18O]H- + 4OH-
-Fe(OH)4- + OD- + [18O]D- + OT- + OH- = FeOD[18O]DOTOH- + 4OH-
-Fe(OH)4- + OD- + [18O]D- + [18O]H- + OH- = FeOD[18O]D[18O]HOH- + 4OH-
-Fe(OH)4- + OD- + [18O]T- + OH- + OH- = FeOD[18O]TOHOH- + 4OH-
-Fe(OH)4- + OD- + [18O]T- + OH- + OD- = FeOD[18O]TOHOD- + 4OH-
-Fe(OH)4- + OD- + [18O]T- + OH- + [18O]H- = FeOD[18O]TOH[18O]H- + 4OH-
-Fe(OH)4- + OD- + [18O]T- + OD- + OH- = FeOD[18O]TODOH- + 4OH-
-Fe(OH)4- + OD- + [18O]T- + [18O]H- + OH- = FeOD[18O]T[18O]HOH- + 4OH-
-Fe(OH)4- + OT- + OH- + OH- + OH- = FeOTOHOHOH- + 4OH-
-Fe(OH)4- + OT- + OH- + OH- + OD- = FeOTOHOHOD- + 4OH-
-Fe(OH)4- + OT- + OH- + OH- + [18O]H- = FeOTOHOH[18O]H- + 4OH-
-Fe(OH)4- + OT- + OH- + OH- + [18O]D- = FeOTOHOH[18O]D- + 4OH-
-Fe(OH)4- + OT- + OH- + OD- + OH- = FeOTOHODOH- + 4OH-
-Fe(OH)4- + OT- + OH- + OD- + OD- = FeOTOHODOD- + 4OH-
-Fe(OH)4- + OT- + OH- + OD- + [18O]H- = FeOTOHOD[18O]H- + 4OH-
-Fe(OH)4- + OT- + OH- + OD- + [18O]D- = FeOTOHOD[18O]D- + 4OH-
-Fe(OH)4- + OT- + OH- + [18O]H- + OH- = FeOTOH[18O]HOH- + 4OH-
-Fe(OH)4- + OT- + OH- + [18O]H- + OD- = FeOTOH[18O]HOD- + 4OH-
-Fe(OH)4- + OT- + OH- + [18O]H- + [18O]H- = FeOTOH[18O]H[18O]H- + 4OH-
-Fe(OH)4- + OT- + OH- + [18O]H- + [18O]D- = FeOTOH[18O]H[18O]D- + 4OH-
-Fe(OH)4- + OT- + OH- + [18O]D- + OH- = FeOTOH[18O]DOH- + 4OH-
-Fe(OH)4- + OT- + OH- + [18O]D- + OD- = FeOTOH[18O]DOD- + 4OH-
-Fe(OH)4- + OT- + OH- + [18O]D- + [18O]H- = FeOTOH[18O]D[18O]H- + 4OH-
-Fe(OH)4- + OT- + OD- + OH- + OH- = FeOTODOHOH- + 4OH-
-Fe(OH)4- + OT- + OD- + OH- + OD- = FeOTODOHOD- + 4OH-
-Fe(OH)4- + OT- + OD- + OH- + [18O]H- = FeOTODOH[18O]H- + 4OH-
-Fe(OH)4- + OT- + OD- + OH- + [18O]D- = FeOTODOH[18O]D- + 4OH-
-Fe(OH)4- + OT- + OD- + OD- + OH- = FeOTODODOH- + 4OH-
-Fe(OH)4- + OT- + OD- + OD- + [18O]H- = FeOTODOD[18O]H- + 4OH-
-Fe(OH)4- + OT- + OD- + [18O]H- + OH- = FeOTOD[18O]HOH- + 4OH-
-Fe(OH)4- + OT- + OD- + [18O]H- + OD- = FeOTOD[18O]HOD- + 4OH-
-Fe(OH)4- + OT- + OD- + [18O]H- + [18O]H- = FeOTOD[18O]H[18O]H- + 4OH-
-Fe(OH)4- + OT- + OD- + [18O]D- + OH- = FeOTOD[18O]DOH- + 4OH-
-Fe(OH)4- + OT- + [18O]H- + OH- + OH- = FeOT[18O]HOHOH- + 4OH-
-Fe(OH)4- + OT- + [18O]H- + OH- + OD- = FeOT[18O]HOHOD- + 4OH-
-Fe(OH)4- + OT- + [18O]H- + OH- + [18O]H- = FeOT[18O]HOH[18O]H- + 4OH-
-Fe(OH)4- + OT- + [18O]H- + OH- + [18O]D- = FeOT[18O]HOH[18O]D- + 4OH-
-Fe(OH)4- + OT- + [18O]H- + OD- + OH- = FeOT[18O]HODOH- + 4OH-
-Fe(OH)4- + OT- + [18O]H- + OD- + OD- = FeOT[18O]HODOD- + 4OH-
-Fe(OH)4- + OT- + [18O]H- + OD- + [18O]H- = FeOT[18O]HOD[18O]H- + 4OH-
-Fe(OH)4- + OT- + [18O]H- + [18O]H- + OH- = FeOT[18O]H[18O]HOH- + 4OH-
-Fe(OH)4- + OT- + [18O]H- + [18O]H- + OD- = FeOT[18O]H[18O]HOD- + 4OH-
-Fe(OH)4- + OT- + [18O]H- + [18O]D- + OH- = FeOT[18O]H[18O]DOH- + 4OH-
-Fe(OH)4- + OT- + [18O]D- + OH- + OH- = FeOT[18O]DOHOH- + 4OH-
-Fe(OH)4- + OT- + [18O]D- + OH- + OD- = FeOT[18O]DOHOD- + 4OH-
-Fe(OH)4- + OT- + [18O]D- + OH- + [18O]H- = FeOT[18O]DOH[18O]H- + 4OH-
-Fe(OH)4- + OT- + [18O]D- + OD- + OH- = FeOT[18O]DODOH- + 4OH-
-Fe(OH)4- + OT- + [18O]D- + [18O]H- + OH- = FeOT[18O]D[18O]HOH- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OH- + OH- = Fe[18O]HOHOHOH- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OH- + OD- = Fe[18O]HOHOHOD- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OH- + OT- = Fe[18O]HOHOHOT- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OH- + [18O]H- = Fe[18O]HOHOH[18O]H- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OH- + [18O]D- = Fe[18O]HOHOH[18O]D- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OH- + [18O]T- = Fe[18O]HOHOH[18O]T- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OD- + OH- = Fe[18O]HOHODOH- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OD- + OD- = Fe[18O]HOHODOD- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OD- + OT- = Fe[18O]HOHODOT- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OD- + [18O]H- = Fe[18O]HOHOD[18O]H- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OD- + [18O]D- = Fe[18O]HOHOD[18O]D- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OD- + [18O]T- = Fe[18O]HOHOD[18O]T- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OT- + OH- = Fe[18O]HOHOTOH- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OT- + OD- = Fe[18O]HOHOTOD- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OT- + [18O]H- = Fe[18O]HOHOT[18O]H- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OT- + [18O]D- = Fe[18O]HOHOT[18O]D- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + [18O]H- + OH- = Fe[18O]HOH[18O]HOH- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + [18O]H- + OD- = Fe[18O]HOH[18O]HOD- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + [18O]H- + OT- = Fe[18O]HOH[18O]HOT- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + [18O]D- + OH- = Fe[18O]HOH[18O]DOH- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + [18O]D- + OD- = Fe[18O]HOH[18O]DOD- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + [18O]D- + OT- = Fe[18O]HOH[18O]DOT- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + [18O]T- + OH- = Fe[18O]HOH[18O]TOH- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + [18O]T- + OD- = Fe[18O]HOH[18O]TOD- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + OH- + OH- = Fe[18O]HODOHOH- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + OH- + OD- = Fe[18O]HODOHOD- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + OH- + OT- = Fe[18O]HODOHOT- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + OH- + [18O]H- = Fe[18O]HODOH[18O]H- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + OH- + [18O]D- = Fe[18O]HODOH[18O]D- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + OH- + [18O]T- = Fe[18O]HODOH[18O]T- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + OD- + OH- = Fe[18O]HODODOH- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + OD- + OT- = Fe[18O]HODODOT- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + OD- + [18O]H- = Fe[18O]HODOD[18O]H- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + OT- + OH- = Fe[18O]HODOTOH- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + OT- + OD- = Fe[18O]HODOTOD- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + OT- + [18O]H- = Fe[18O]HODOT[18O]H- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + [18O]H- + OH- = Fe[18O]HOD[18O]HOH- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + [18O]H- + OD- = Fe[18O]HOD[18O]HOD- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + [18O]H- + OT- = Fe[18O]HOD[18O]HOT- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + [18O]D- + OH- = Fe[18O]HOD[18O]DOH- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + [18O]T- + OH- = Fe[18O]HOD[18O]TOH- + 4OH-
-Fe(OH)4- + [18O]H- + OT- + OH- + OH- = Fe[18O]HOTOHOH- + 4OH-
-Fe(OH)4- + [18O]H- + OT- + OH- + OD- = Fe[18O]HOTOHOD- + 4OH-
-Fe(OH)4- + [18O]H- + OT- + OH- + [18O]H- = Fe[18O]HOTOH[18O]H- + 4OH-
-Fe(OH)4- + [18O]H- + OT- + OH- + [18O]D- = Fe[18O]HOTOH[18O]D- + 4OH-
-Fe(OH)4- + [18O]H- + OT- + OD- + OH- = Fe[18O]HOTODOH- + 4OH-
-Fe(OH)4- + [18O]H- + OT- + OD- + OD- = Fe[18O]HOTODOD- + 4OH-
-Fe(OH)4- + [18O]H- + OT- + OD- + [18O]H- = Fe[18O]HOTOD[18O]H- + 4OH-
-Fe(OH)4- + [18O]H- + OT- + [18O]H- + OH- = Fe[18O]HOT[18O]HOH- + 4OH-
-Fe(OH)4- + [18O]H- + OT- + [18O]H- + OD- = Fe[18O]HOT[18O]HOD- + 4OH-
-Fe(OH)4- + [18O]H- + OT- + [18O]D- + OH- = Fe[18O]HOT[18O]DOH- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]H- + OH- + OH- = Fe[18O]H[18O]HOHOH- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]H- + OH- + OD- = Fe[18O]H[18O]HOHOD- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]H- + OH- + OT- = Fe[18O]H[18O]HOHOT- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]H- + OD- + OH- = Fe[18O]H[18O]HODOH- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]H- + OD- + OD- = Fe[18O]H[18O]HODOD- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]H- + OD- + OT- = Fe[18O]H[18O]HODOT- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]H- + OT- + OH- = Fe[18O]H[18O]HOTOH- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]H- + OT- + OD- = Fe[18O]H[18O]HOTOD- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]D- + OH- + OH- = Fe[18O]H[18O]DOHOH- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]D- + OH- + OD- = Fe[18O]H[18O]DOHOD- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]D- + OH- + OT- = Fe[18O]H[18O]DOHOT- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]D- + OD- + OH- = Fe[18O]H[18O]DODOH- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]D- + OT- + OH- = Fe[18O]H[18O]DOTOH- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]T- + OH- + OH- = Fe[18O]H[18O]TOHOH- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]T- + OH- + OD- = Fe[18O]H[18O]TOHOD- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]T- + OD- + OH- = Fe[18O]H[18O]TODOH- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + OH- + OH- = Fe[18O]DOHOHOH- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + OH- + OD- = Fe[18O]DOHOHOD- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + OH- + OT- = Fe[18O]DOHOHOT- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + OH- + [18O]H- = Fe[18O]DOHOH[18O]H- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + OH- + [18O]D- = Fe[18O]DOHOH[18O]D- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + OH- + [18O]T- = Fe[18O]DOHOH[18O]T- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + OD- + OH- = Fe[18O]DOHODOH- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + OD- + OT- = Fe[18O]DOHODOT- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + OD- + [18O]H- = Fe[18O]DOHOD[18O]H- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + OT- + OH- = Fe[18O]DOHOTOH- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + OT- + OD- = Fe[18O]DOHOTOD- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + OT- + [18O]H- = Fe[18O]DOHOT[18O]H- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + [18O]H- + OH- = Fe[18O]DOH[18O]HOH- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + [18O]H- + OD- = Fe[18O]DOH[18O]HOD- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + [18O]H- + OT- = Fe[18O]DOH[18O]HOT- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + [18O]D- + OH- = Fe[18O]DOH[18O]DOH- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + [18O]T- + OH- = Fe[18O]DOH[18O]TOH- + 4OH-
-Fe(OH)4- + [18O]D- + OD- + OH- + OH- = Fe[18O]DODOHOH- + 4OH-
-Fe(OH)4- + [18O]D- + OD- + OH- + OT- = Fe[18O]DODOHOT- + 4OH-
-Fe(OH)4- + [18O]D- + OD- + OH- + [18O]H- = Fe[18O]DODOH[18O]H- + 4OH-
-Fe(OH)4- + [18O]D- + OD- + OT- + OH- = Fe[18O]DODOTOH- + 4OH-
-Fe(OH)4- + [18O]D- + OD- + [18O]H- + OH- = Fe[18O]DOD[18O]HOH- + 4OH-
-Fe(OH)4- + [18O]D- + OT- + OH- + OH- = Fe[18O]DOTOHOH- + 4OH-
-Fe(OH)4- + [18O]D- + OT- + OH- + OD- = Fe[18O]DOTOHOD- + 4OH-
-Fe(OH)4- + [18O]D- + OT- + OH- + [18O]H- = Fe[18O]DOTOH[18O]H- + 4OH-
-Fe(OH)4- + [18O]D- + OT- + OD- + OH- = Fe[18O]DOTODOH- + 4OH-
-Fe(OH)4- + [18O]D- + OT- + [18O]H- + OH- = Fe[18O]DOT[18O]HOH- + 4OH-
-Fe(OH)4- + [18O]D- + [18O]H- + OH- + OH- = Fe[18O]D[18O]HOHOH- + 4OH-
-Fe(OH)4- + [18O]D- + [18O]H- + OH- + OD- = Fe[18O]D[18O]HOHOD- + 4OH-
-Fe(OH)4- + [18O]D- + [18O]H- + OH- + OT- = Fe[18O]D[18O]HOHOT- + 4OH-
-Fe(OH)4- + [18O]D- + [18O]H- + OD- + OH- = Fe[18O]D[18O]HODOH- + 4OH-
-Fe(OH)4- + [18O]D- + [18O]H- + OT- + OH- = Fe[18O]D[18O]HOTOH- + 4OH-
-Fe(OH)4- + [18O]D- + [18O]D- + OH- + OH- = Fe[18O]D[18O]DOHOH- + 4OH-
-Fe(OH)4- + [18O]D- + [18O]T- + OH- + OH- = Fe[18O]D[18O]TOHOH- + 4OH-
-Fe(OH)4- + [18O]T- + OH- + OH- + OH- = Fe[18O]TOHOHOH- + 4OH-
-Fe(OH)4- + [18O]T- + OH- + OH- + OD- = Fe[18O]TOHOHOD- + 4OH-
-Fe(OH)4- + [18O]T- + OH- + OH- + [18O]H- = Fe[18O]TOHOH[18O]H- + 4OH-
-Fe(OH)4- + [18O]T- + OH- + OH- + [18O]D- = Fe[18O]TOHOH[18O]D- + 4OH-
-Fe(OH)4- + [18O]T- + OH- + OD- + OH- = Fe[18O]TOHODOH- + 4OH-
-Fe(OH)4- + [18O]T- + OH- + OD- + OD- = Fe[18O]TOHODOD- + 4OH-
-Fe(OH)4- + [18O]T- + OH- + OD- + [18O]H- = Fe[18O]TOHOD[18O]H- + 4OH-
-Fe(OH)4- + [18O]T- + OH- + [18O]H- + OH- = Fe[18O]TOH[18O]HOH- + 4OH-
-Fe(OH)4- + [18O]T- + OH- + [18O]H- + OD- = Fe[18O]TOH[18O]HOD- + 4OH-
-Fe(OH)4- + [18O]T- + OH- + [18O]D- + OH- = Fe[18O]TOH[18O]DOH- + 4OH-
-Fe(OH)4- + [18O]T- + OD- + OH- + OH- = Fe[18O]TODOHOH- + 4OH-
-Fe(OH)4- + [18O]T- + OD- + OH- + OD- = Fe[18O]TODOHOD- + 4OH-
-Fe(OH)4- + [18O]T- + OD- + OH- + [18O]H- = Fe[18O]TODOH[18O]H- + 4OH-
-Fe(OH)4- + [18O]T- + OD- + OD- + OH- = Fe[18O]TODODOH- + 4OH-
-Fe(OH)4- + [18O]T- + OD- + [18O]H- + OH- = Fe[18O]TOD[18O]HOH- + 4OH-
-Fe(OH)4- + [18O]T- + [18O]H- + OH- + OH- = Fe[18O]T[18O]HOHOH- + 4OH-
-Fe(OH)4- + [18O]T- + [18O]H- + OH- + OD- = Fe[18O]T[18O]HOHOD- + 4OH-
-Fe(OH)4- + [18O]T- + [18O]H- + OD- + OH- = Fe[18O]T[18O]HODOH- + 4OH-
-Fe(OH)4- + [18O]T- + [18O]D- + OH- + OH- = Fe[18O]T[18O]DOHOH- + 4OH-
-#
-# Added Fe2(OH)2+4 reactions 16Dec09
-# Revised 17Dec09, limited the number of species
-#
-Fe2(OH)2+4 + OH- + OD- = Fe2OHOD+4 + 2OH-
-Fe2(OH)2+4 + OH- + OT- = Fe2OHOT+4 + 2OH-
-Fe2(OH)2+4 + OH- + [18O]H- = Fe2OH[18O]H+4 + 2OH-
-Fe2(OH)2+4 + OH- + [18O]D- = Fe2OH[18O]D+4 + 2OH-
-Fe2(OH)2+4 + OH- + [18O]T- = Fe2OH[18O]T+4 + 2OH-
-Fe2(OH)2+4 + OD- + OH- = Fe2ODOH+4 + 2OH-
-Fe2(OH)2+4 + OD- + OD- = Fe2ODOD+4 + 2OH-
-Fe2(OH)2+4 + OD- + OT- = Fe2ODOT+4 + 2OH-
-Fe2(OH)2+4 + OD- + [18O]H- = Fe2OD[18O]H+4 + 2OH-
-Fe2(OH)2+4 + OD- + [18O]D- = Fe2OD[18O]D+4 + 2OH-
-Fe2(OH)2+4 + OD- + [18O]T- = Fe2OD[18O]T+4 + 2OH-
-Fe2(OH)2+4 + OT- + OH- = Fe2OTOH+4 + 2OH-
-Fe2(OH)2+4 + OT- + OD- = Fe2OTOD+4 + 2OH-
-Fe2(OH)2+4 + OT- + [18O]H- = Fe2OT[18O]H+4 + 2OH-
-Fe2(OH)2+4 + OT- + [18O]D- = Fe2OT[18O]D+4 + 2OH-
-Fe2(OH)2+4 + [18O]H- + OH- = Fe2[18O]HOH+4 + 2OH-
-Fe2(OH)2+4 + [18O]H- + OD- = Fe2[18O]HOD+4 + 2OH-
-Fe2(OH)2+4 + [18O]H- + OT- = Fe2[18O]HOT+4 + 2OH-
-Fe2(OH)2+4 + [18O]H- + [18O]H- = Fe2[18O]H[18O]H+4 + 2OH-
-Fe2(OH)2+4 + [18O]H- + [18O]D- = Fe2[18O]H[18O]D+4 + 2OH-
-Fe2(OH)2+4 + [18O]H- + [18O]T- = Fe2[18O]H[18O]T+4 + 2OH-
-Fe2(OH)2+4 + [18O]D- + OH- = Fe2[18O]DOH+4 + 2OH-
-Fe2(OH)2+4 + [18O]D- + OD- = Fe2[18O]DOD+4 + 2OH-
-Fe2(OH)2+4 + [18O]D- + OT- = Fe2[18O]DOT+4 + 2OH-
-Fe2(OH)2+4 + [18O]D- + [18O]H- = Fe2[18O]D[18O]H+4 + 2OH-
-Fe2(OH)2+4 + [18O]D- + [18O]D- = Fe2[18O]D[18O]D+4 + 2OH-
-Fe2(OH)2+4 + [18O]D- + [18O]T- = Fe2[18O]D[18O]T+4 + 2OH-
-Fe2(OH)2+4 + [18O]T- + OH- = Fe2[18O]TOH+4 + 2OH-
-Fe2(OH)2+4 + [18O]T- + OD- = Fe2[18O]TOD+4 + 2OH-
-Fe2(OH)2+4 + [18O]T- + [18O]H- = Fe2[18O]T[18O]H+4 + 2OH-
-Fe2(OH)2+4 + [18O]T- + [18O]D- = Fe2[18O]T[18O]D+4 + 2OH-
-#
-# Added Fe3(OH)4+5 reactions 16Dec09
-# Revised 17Dec09, limited the number of species
-#
-Fe3(OH)4+5 + OH- + OH- + OH- + OD- = Fe3OHOHOHOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + OH- + OT- = Fe3OHOHOHOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + OH- + [18O]H- = Fe3OHOHOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + OH- + [18O]D- = Fe3OHOHOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + OH- + [18O]T- = Fe3OHOHOH[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + OD- + OH- = Fe3OHOHODOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + OD- + OD- = Fe3OHOHODOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + OD- + OT- = Fe3OHOHODOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + OD- + [18O]H- = Fe3OHOHOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + OD- + [18O]D- = Fe3OHOHOD[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + OD- + [18O]T- = Fe3OHOHOD[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + OT- + OH- = Fe3OHOHOTOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + OT- + OD- = Fe3OHOHOTOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + OT- + [18O]H- = Fe3OHOHOT[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + OT- + [18O]D- = Fe3OHOHOT[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]H- + OH- = Fe3OHOH[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]H- + OD- = Fe3OHOH[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]H- + OT- = Fe3OHOH[18O]HOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]H- + [18O]H- = Fe3OHOH[18O]H[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]H- + [18O]D- = Fe3OHOH[18O]H[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]H- + [18O]T- = Fe3OHOH[18O]H[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]D- + OH- = Fe3OHOH[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]D- + OD- = Fe3OHOH[18O]DOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]D- + OT- = Fe3OHOH[18O]DOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]D- + [18O]H- = Fe3OHOH[18O]D[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]D- + [18O]D- = Fe3OHOH[18O]D[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]D- + [18O]T- = Fe3OHOH[18O]D[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]T- + OH- = Fe3OHOH[18O]TOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]T- + OD- = Fe3OHOH[18O]TOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]T- + [18O]H- = Fe3OHOH[18O]T[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]T- + [18O]D- = Fe3OHOH[18O]T[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + OH- + OH- = Fe3OHODOHOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + OH- + OD- = Fe3OHODOHOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + OH- + OT- = Fe3OHODOHOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + OH- + [18O]H- = Fe3OHODOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + OH- + [18O]D- = Fe3OHODOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + OH- + [18O]T- = Fe3OHODOH[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + OD- + OH- = Fe3OHODODOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + OD- + OT- = Fe3OHODODOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + OD- + [18O]H- = Fe3OHODOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + OD- + [18O]T- = Fe3OHODOD[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + OT- + OH- = Fe3OHODOTOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + OT- + OD- = Fe3OHODOTOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + OT- + [18O]H- = Fe3OHODOT[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + OT- + [18O]D- = Fe3OHODOT[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + [18O]H- + OH- = Fe3OHOD[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + [18O]H- + OD- = Fe3OHOD[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + [18O]H- + OT- = Fe3OHOD[18O]HOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + [18O]H- + [18O]H- = Fe3OHOD[18O]H[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + [18O]H- + [18O]D- = Fe3OHOD[18O]H[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + [18O]H- + [18O]T- = Fe3OHOD[18O]H[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + [18O]D- + OH- = Fe3OHOD[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + [18O]D- + OT- = Fe3OHOD[18O]DOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + [18O]D- + [18O]H- = Fe3OHOD[18O]D[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + [18O]T- + OH- = Fe3OHOD[18O]TOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + [18O]T- + OD- = Fe3OHOD[18O]TOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + [18O]T- + [18O]H- = Fe3OHOD[18O]T[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + OH- + OH- = Fe3OHOTOHOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + OH- + OD- = Fe3OHOTOHOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + OH- + [18O]H- = Fe3OHOTOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + OH- + [18O]D- = Fe3OHOTOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + OD- + OH- = Fe3OHOTODOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + OD- + OD- = Fe3OHOTODOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + OD- + [18O]H- = Fe3OHOTOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + OD- + [18O]D- = Fe3OHOTOD[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + [18O]H- + OH- = Fe3OHOT[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + [18O]H- + OD- = Fe3OHOT[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + [18O]H- + [18O]H- = Fe3OHOT[18O]H[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + [18O]H- + [18O]D- = Fe3OHOT[18O]H[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + [18O]D- + OH- = Fe3OHOT[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + [18O]D- + OD- = Fe3OHOT[18O]DOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + [18O]D- + [18O]H- = Fe3OHOT[18O]D[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OH- + OH- = Fe3OH[18O]HOHOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OH- + OD- = Fe3OH[18O]HOHOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OH- + OT- = Fe3OH[18O]HOHOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OH- + [18O]H- = Fe3OH[18O]HOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OH- + [18O]D- = Fe3OH[18O]HOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OH- + [18O]T- = Fe3OH[18O]HOH[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OD- + OH- = Fe3OH[18O]HODOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OD- + OD- = Fe3OH[18O]HODOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OD- + OT- = Fe3OH[18O]HODOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OD- + [18O]H- = Fe3OH[18O]HOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OD- + [18O]D- = Fe3OH[18O]HOD[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OD- + [18O]T- = Fe3OH[18O]HOD[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OT- + OH- = Fe3OH[18O]HOTOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OT- + OD- = Fe3OH[18O]HOTOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OT- + [18O]H- = Fe3OH[18O]HOT[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OT- + [18O]D- = Fe3OH[18O]HOT[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + [18O]H- + OH- = Fe3OH[18O]H[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + [18O]H- + OD- = Fe3OH[18O]H[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + [18O]H- + OT- = Fe3OH[18O]H[18O]HOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + [18O]D- + OH- = Fe3OH[18O]H[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + [18O]D- + OD- = Fe3OH[18O]H[18O]DOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + [18O]D- + OT- = Fe3OH[18O]H[18O]DOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + [18O]T- + OH- = Fe3OH[18O]H[18O]TOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + [18O]T- + OD- = Fe3OH[18O]H[18O]TOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + OH- + OH- = Fe3OH[18O]DOHOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + OH- + OD- = Fe3OH[18O]DOHOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + OH- + OT- = Fe3OH[18O]DOHOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + OH- + [18O]H- = Fe3OH[18O]DOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + OH- + [18O]D- = Fe3OH[18O]DOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + OH- + [18O]T- = Fe3OH[18O]DOH[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + OD- + OH- = Fe3OH[18O]DODOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + OD- + OT- = Fe3OH[18O]DODOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + OD- + [18O]H- = Fe3OH[18O]DOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + OT- + OH- = Fe3OH[18O]DOTOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + OT- + OD- = Fe3OH[18O]DOTOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + OT- + [18O]H- = Fe3OH[18O]DOT[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + [18O]H- + OH- = Fe3OH[18O]D[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + [18O]H- + OD- = Fe3OH[18O]D[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + [18O]H- + OT- = Fe3OH[18O]D[18O]HOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + [18O]D- + OH- = Fe3OH[18O]D[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + [18O]T- + OH- = Fe3OH[18O]D[18O]TOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]T- + OH- + OH- = Fe3OH[18O]TOHOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]T- + OH- + OD- = Fe3OH[18O]TOHOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]T- + OH- + [18O]H- = Fe3OH[18O]TOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]T- + OH- + [18O]D- = Fe3OH[18O]TOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]T- + OD- + OH- = Fe3OH[18O]TODOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]T- + OD- + OD- = Fe3OH[18O]TODOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]T- + OD- + [18O]H- = Fe3OH[18O]TOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]T- + [18O]H- + OH- = Fe3OH[18O]T[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]T- + [18O]H- + OD- = Fe3OH[18O]T[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]T- + [18O]D- + OH- = Fe3OH[18O]T[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + OH- + OH- = Fe3ODOHOHOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + OH- + OD- = Fe3ODOHOHOD+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + OH- + OT- = Fe3ODOHOHOT+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + OH- + [18O]H- = Fe3ODOHOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + OH- + [18O]D- = Fe3ODOHOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + OH- + [18O]T- = Fe3ODOHOH[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + OD- + OH- = Fe3ODOHODOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + OD- + OT- = Fe3ODOHODOT+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + OD- + [18O]H- = Fe3ODOHOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + OD- + [18O]T- = Fe3ODOHOD[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + OT- + OH- = Fe3ODOHOTOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + OT- + OD- = Fe3ODOHOTOD+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + OT- + [18O]H- = Fe3ODOHOT[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + OT- + [18O]D- = Fe3ODOHOT[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + [18O]H- + OH- = Fe3ODOH[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + [18O]H- + OD- = Fe3ODOH[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + [18O]H- + OT- = Fe3ODOH[18O]HOT+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + [18O]H- + [18O]H- = Fe3ODOH[18O]H[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + [18O]H- + [18O]D- = Fe3ODOH[18O]H[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + [18O]H- + [18O]T- = Fe3ODOH[18O]H[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + [18O]D- + OH- = Fe3ODOH[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + [18O]D- + OT- = Fe3ODOH[18O]DOT+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + [18O]D- + [18O]H- = Fe3ODOH[18O]D[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + [18O]T- + OH- = Fe3ODOH[18O]TOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + [18O]T- + OD- = Fe3ODOH[18O]TOD+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + [18O]T- + [18O]H- = Fe3ODOH[18O]T[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + OD- + OH- + OH- = Fe3ODODOHOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + OD- + OH- + OT- = Fe3ODODOHOT+5 + 4OH-
-Fe3(OH)4+5 + OD- + OD- + OH- + [18O]H- = Fe3ODODOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + OD- + OH- + [18O]T- = Fe3ODODOH[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OD- + OD- + OT- + OH- = Fe3ODODOTOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + OD- + OT- + [18O]H- = Fe3ODODOT[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + OD- + [18O]H- + OH- = Fe3ODOD[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + OD- + [18O]H- + OT- = Fe3ODOD[18O]HOT+5 + 4OH-
-Fe3(OH)4+5 + OD- + OD- + [18O]H- + [18O]H- = Fe3ODOD[18O]H[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + OD- + [18O]T- + OH- = Fe3ODOD[18O]TOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + OT- + OH- + OH- = Fe3ODOTOHOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + OT- + OH- + OD- = Fe3ODOTOHOD+5 + 4OH-
-Fe3(OH)4+5 + OD- + OT- + OH- + [18O]H- = Fe3ODOTOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + OT- + OH- + [18O]D- = Fe3ODOTOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OD- + OT- + OD- + OH- = Fe3ODOTODOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + OT- + OD- + [18O]H- = Fe3ODOTOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + OT- + [18O]H- + OH- = Fe3ODOT[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + OT- + [18O]H- + OD- = Fe3ODOT[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + OD- + OT- + [18O]H- + [18O]H- = Fe3ODOT[18O]H[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + OT- + [18O]D- + OH- = Fe3ODOT[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + OH- + OH- = Fe3OD[18O]HOHOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + OH- + OD- = Fe3OD[18O]HOHOD+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + OH- + OT- = Fe3OD[18O]HOHOT+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + OH- + [18O]H- = Fe3OD[18O]HOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + OH- + [18O]D- = Fe3OD[18O]HOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + OH- + [18O]T- = Fe3OD[18O]HOH[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + OD- + OH- = Fe3OD[18O]HODOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + OD- + OT- = Fe3OD[18O]HODOT+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + OD- + [18O]H- = Fe3OD[18O]HOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + OT- + OH- = Fe3OD[18O]HOTOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + OT- + OD- = Fe3OD[18O]HOTOD+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + OT- + [18O]H- = Fe3OD[18O]HOT[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + [18O]H- + OH- = Fe3OD[18O]H[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + [18O]H- + OD- = Fe3OD[18O]H[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + [18O]H- + OT- = Fe3OD[18O]H[18O]HOT+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + [18O]D- + OH- = Fe3OD[18O]H[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + [18O]T- + OH- = Fe3OD[18O]H[18O]TOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]D- + OH- + OH- = Fe3OD[18O]DOHOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]D- + OH- + OT- = Fe3OD[18O]DOHOT+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]D- + OH- + [18O]H- = Fe3OD[18O]DOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]D- + OT- + OH- = Fe3OD[18O]DOTOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]D- + [18O]H- + OH- = Fe3OD[18O]D[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]T- + OH- + OH- = Fe3OD[18O]TOHOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]T- + OH- + OD- = Fe3OD[18O]TOHOD+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]T- + OH- + [18O]H- = Fe3OD[18O]TOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]T- + OD- + OH- = Fe3OD[18O]TODOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]T- + [18O]H- + OH- = Fe3OD[18O]T[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + OH- + OH- = Fe3OTOHOHOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + OH- + OD- = Fe3OTOHOHOD+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + OH- + [18O]H- = Fe3OTOHOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + OH- + [18O]D- = Fe3OTOHOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + OD- + OH- = Fe3OTOHODOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + OD- + OD- = Fe3OTOHODOD+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + OD- + [18O]H- = Fe3OTOHOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + OD- + [18O]D- = Fe3OTOHOD[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + [18O]H- + OH- = Fe3OTOH[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + [18O]H- + OD- = Fe3OTOH[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + [18O]H- + [18O]H- = Fe3OTOH[18O]H[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + [18O]H- + [18O]D- = Fe3OTOH[18O]H[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + [18O]D- + OH- = Fe3OTOH[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + [18O]D- + OD- = Fe3OTOH[18O]DOD+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + [18O]D- + [18O]H- = Fe3OTOH[18O]D[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OT- + OD- + OH- + OH- = Fe3OTODOHOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + OD- + OH- + OD- = Fe3OTODOHOD+5 + 4OH-
-Fe3(OH)4+5 + OT- + OD- + OH- + [18O]H- = Fe3OTODOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OT- + OD- + OH- + [18O]D- = Fe3OTODOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OT- + OD- + OD- + OH- = Fe3OTODODOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + OD- + OD- + [18O]H- = Fe3OTODOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OT- + OD- + [18O]H- + OH- = Fe3OTOD[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + OD- + [18O]H- + OD- = Fe3OTOD[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + OT- + OD- + [18O]H- + [18O]H- = Fe3OTOD[18O]H[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OT- + OD- + [18O]D- + OH- = Fe3OTOD[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]H- + OH- + OH- = Fe3OT[18O]HOHOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]H- + OH- + OD- = Fe3OT[18O]HOHOD+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]H- + OH- + [18O]H- = Fe3OT[18O]HOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]H- + OH- + [18O]D- = Fe3OT[18O]HOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]H- + OD- + OH- = Fe3OT[18O]HODOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]H- + OD- + OD- = Fe3OT[18O]HODOD+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]H- + OD- + [18O]H- = Fe3OT[18O]HOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]H- + [18O]H- + OH- = Fe3OT[18O]H[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]H- + [18O]H- + OD- = Fe3OT[18O]H[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]H- + [18O]D- + OH- = Fe3OT[18O]H[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]D- + OH- + OH- = Fe3OT[18O]DOHOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]D- + OH- + OD- = Fe3OT[18O]DOHOD+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]D- + OH- + [18O]H- = Fe3OT[18O]DOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]D- + OD- + OH- = Fe3OT[18O]DODOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]D- + [18O]H- + OH- = Fe3OT[18O]D[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OH- + OH- = Fe3[18O]HOHOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OH- + OD- = Fe3[18O]HOHOHOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OH- + OT- = Fe3[18O]HOHOHOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OH- + [18O]H- = Fe3[18O]HOHOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OH- + [18O]D- = Fe3[18O]HOHOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OH- + [18O]T- = Fe3[18O]HOHOH[18O]T+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OD- + OH- = Fe3[18O]HOHODOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OD- + OD- = Fe3[18O]HOHODOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OD- + OT- = Fe3[18O]HOHODOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OD- + [18O]H- = Fe3[18O]HOHOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OD- + [18O]D- = Fe3[18O]HOHOD[18O]D+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OD- + [18O]T- = Fe3[18O]HOHOD[18O]T+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OT- + OH- = Fe3[18O]HOHOTOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OT- + OD- = Fe3[18O]HOHOTOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OT- + [18O]H- = Fe3[18O]HOHOT[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OT- + [18O]D- = Fe3[18O]HOHOT[18O]D+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + [18O]H- + OH- = Fe3[18O]HOH[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + [18O]H- + OD- = Fe3[18O]HOH[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + [18O]H- + OT- = Fe3[18O]HOH[18O]HOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + [18O]D- + OH- = Fe3[18O]HOH[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + [18O]D- + OD- = Fe3[18O]HOH[18O]DOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + [18O]D- + OT- = Fe3[18O]HOH[18O]DOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + [18O]T- + OH- = Fe3[18O]HOH[18O]TOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + [18O]T- + OD- = Fe3[18O]HOH[18O]TOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + OH- + OH- = Fe3[18O]HODOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + OH- + OD- = Fe3[18O]HODOHOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + OH- + OT- = Fe3[18O]HODOHOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + OH- + [18O]H- = Fe3[18O]HODOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + OH- + [18O]D- = Fe3[18O]HODOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + OH- + [18O]T- = Fe3[18O]HODOH[18O]T+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + OD- + OH- = Fe3[18O]HODODOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + OD- + OT- = Fe3[18O]HODODOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + OD- + [18O]H- = Fe3[18O]HODOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + OT- + OH- = Fe3[18O]HODOTOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + OT- + OD- = Fe3[18O]HODOTOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + OT- + [18O]H- = Fe3[18O]HODOT[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + [18O]H- + OH- = Fe3[18O]HOD[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + [18O]H- + OD- = Fe3[18O]HOD[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + [18O]H- + OT- = Fe3[18O]HOD[18O]HOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + [18O]D- + OH- = Fe3[18O]HOD[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + [18O]T- + OH- = Fe3[18O]HOD[18O]TOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OT- + OH- + OH- = Fe3[18O]HOTOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OT- + OH- + OD- = Fe3[18O]HOTOHOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OT- + OH- + [18O]H- = Fe3[18O]HOTOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OT- + OH- + [18O]D- = Fe3[18O]HOTOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OT- + OD- + OH- = Fe3[18O]HOTODOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OT- + OD- + OD- = Fe3[18O]HOTODOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OT- + OD- + [18O]H- = Fe3[18O]HOTOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OT- + [18O]H- + OH- = Fe3[18O]HOT[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OT- + [18O]H- + OD- = Fe3[18O]HOT[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OT- + [18O]D- + OH- = Fe3[18O]HOT[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]H- + OH- + OH- = Fe3[18O]H[18O]HOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]H- + OH- + OD- = Fe3[18O]H[18O]HOHOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]H- + OH- + OT- = Fe3[18O]H[18O]HOHOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]H- + OD- + OH- = Fe3[18O]H[18O]HODOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]H- + OD- + OD- = Fe3[18O]H[18O]HODOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]H- + OD- + OT- = Fe3[18O]H[18O]HODOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]H- + OT- + OH- = Fe3[18O]H[18O]HOTOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]H- + OT- + OD- = Fe3[18O]H[18O]HOTOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]D- + OH- + OH- = Fe3[18O]H[18O]DOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]D- + OH- + OD- = Fe3[18O]H[18O]DOHOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]D- + OH- + OT- = Fe3[18O]H[18O]DOHOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]D- + OD- + OH- = Fe3[18O]H[18O]DODOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]D- + OT- + OH- = Fe3[18O]H[18O]DOTOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]T- + OH- + OH- = Fe3[18O]H[18O]TOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]T- + OH- + OD- = Fe3[18O]H[18O]TOHOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]T- + OD- + OH- = Fe3[18O]H[18O]TODOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + OH- + OH- = Fe3[18O]DOHOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + OH- + OD- = Fe3[18O]DOHOHOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + OH- + OT- = Fe3[18O]DOHOHOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + OH- + [18O]H- = Fe3[18O]DOHOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + OH- + [18O]D- = Fe3[18O]DOHOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + OH- + [18O]T- = Fe3[18O]DOHOH[18O]T+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + OD- + OH- = Fe3[18O]DOHODOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + OD- + OT- = Fe3[18O]DOHODOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + OD- + [18O]H- = Fe3[18O]DOHOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + OT- + OH- = Fe3[18O]DOHOTOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + OT- + OD- = Fe3[18O]DOHOTOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + OT- + [18O]H- = Fe3[18O]DOHOT[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + [18O]H- + OH- = Fe3[18O]DOH[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + [18O]H- + OD- = Fe3[18O]DOH[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + [18O]H- + OT- = Fe3[18O]DOH[18O]HOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + [18O]D- + OH- = Fe3[18O]DOH[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + [18O]T- + OH- = Fe3[18O]DOH[18O]TOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OD- + OH- + OH- = Fe3[18O]DODOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OD- + OH- + OT- = Fe3[18O]DODOHOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OD- + OH- + [18O]H- = Fe3[18O]DODOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OD- + OT- + OH- = Fe3[18O]DODOTOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OD- + [18O]H- + OH- = Fe3[18O]DOD[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OT- + OH- + OH- = Fe3[18O]DOTOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OT- + OH- + OD- = Fe3[18O]DOTOHOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OT- + OH- + [18O]H- = Fe3[18O]DOTOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OT- + OD- + OH- = Fe3[18O]DOTODOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OT- + [18O]H- + OH- = Fe3[18O]DOT[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + [18O]H- + OH- + OH- = Fe3[18O]D[18O]HOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + [18O]H- + OH- + OD- = Fe3[18O]D[18O]HOHOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + [18O]H- + OH- + OT- = Fe3[18O]D[18O]HOHOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + [18O]H- + OD- + OH- = Fe3[18O]D[18O]HODOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + [18O]H- + OT- + OH- = Fe3[18O]D[18O]HOTOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + [18O]D- + OH- + OH- = Fe3[18O]D[18O]DOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + [18O]T- + OH- + OH- = Fe3[18O]D[18O]TOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OH- + OH- + OH- = Fe3[18O]TOHOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OH- + OH- + OD- = Fe3[18O]TOHOHOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OH- + OH- + [18O]H- = Fe3[18O]TOHOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OH- + OH- + [18O]D- = Fe3[18O]TOHOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OH- + OD- + OH- = Fe3[18O]TOHODOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OH- + OD- + OD- = Fe3[18O]TOHODOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OH- + OD- + [18O]H- = Fe3[18O]TOHOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OH- + [18O]H- + OH- = Fe3[18O]TOH[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OH- + [18O]H- + OD- = Fe3[18O]TOH[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OH- + [18O]D- + OH- = Fe3[18O]TOH[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OD- + OH- + OH- = Fe3[18O]TODOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OD- + OH- + OD- = Fe3[18O]TODOHOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OD- + OH- + [18O]H- = Fe3[18O]TODOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OD- + OD- + OH- = Fe3[18O]TODODOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OD- + [18O]H- + OH- = Fe3[18O]TOD[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + [18O]H- + OH- + OH- = Fe3[18O]T[18O]HOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + [18O]H- + OH- + OD- = Fe3[18O]T[18O]HOHOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + [18O]H- + OD- + OH- = Fe3[18O]T[18O]HODOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + [18O]D- + OH- + OH- = Fe3[18O]T[18O]DOHOH+5 + 4OH-
-#
-# Added FeSO4+ reactions 16Dec09
-#
-FeSO4+ + [34S]O4-2 = Fe[34S]O4+ + SO4-2
-#
-# Added FeHSO4+2 reactions 16Dec09
-#
-FeHSO4+2 + DSO4- = FeDSO4+2 + HSO4-
-FeHSO4+2 + TSO4- = FeTSO4+2 + HSO4-
-FeHSO4+2 + H[34S]O4- = FeH[34S]O4+2 + HSO4-
-FeHSO4+2 + D[34S]O4- = FeD[34S]O4+2 + HSO4-
-FeHSO4+2 + T[34S]O4- = FeT[34S]O4+2 + HSO4-
-#
-# Added Fe(SO4)2- reactions 16Dec09
-# Revised 17Dec09
-#
-Fe(SO4)2- + SO4-2 + [34S]O4-2 = FeSO4[34S]O4- + 2SO4-2
-Fe(SO4)2- + [34S]O4-2 + SO4-2 = Fe[34S]O4SO4- + 2SO4-2
-Fe(SO4)2- + [34S]O4-2 + [34S]O4-2 = Fe[34S]O4[34S]O4- + 2SO4-2
-#
-# Missing FeHPO4+ reactions
-#
-#
-# Missing FeH2PO4+2 reactions
-#
-#
-# Added AlOH+2 reactions 16Dec09
-#
-AlOH+2 + OD- = AlOD+2 + OH-
-AlOH+2 + OT- = AlOT+2 + OH-
-AlOH+2 + [18O]H- = Al[18O]H+2 + OH-
-AlOH+2 + [18O]D- = Al[18O]D+2 + OH-
-AlOH+2 + [18O]T- = Al[18O]T+2 + OH-
-#
-# Added Al(OH)2+ reactions 16Dec09
-# Revised 17Dec09, limited the number of species
-#
-Al(OH)2+ + OH- + OD- = AlOHOD+ + 2OH-
-Al(OH)2+ + OH- + OT- = AlOHOT+ + 2OH-
-Al(OH)2+ + OH- + [18O]H- = AlOH[18O]H+ + 2OH-
-Al(OH)2+ + OH- + [18O]D- = AlOH[18O]D+ + 2OH-
-Al(OH)2+ + OH- + [18O]T- = AlOH[18O]T+ + 2OH-
-Al(OH)2+ + OD- + OH- = AlODOH+ + 2OH-
-Al(OH)2+ + OD- + OD- = AlODOD+ + 2OH-
-Al(OH)2+ + OD- + OT- = AlODOT+ + 2OH-
-Al(OH)2+ + OD- + [18O]H- = AlOD[18O]H+ + 2OH-
-Al(OH)2+ + OD- + [18O]D- = AlOD[18O]D+ + 2OH-
-Al(OH)2+ + OD- + [18O]T- = AlOD[18O]T+ + 2OH-
-Al(OH)2+ + OT- + OH- = AlOTOH+ + 2OH-
-Al(OH)2+ + OT- + OD- = AlOTOD+ + 2OH-
-Al(OH)2+ + OT- + [18O]H- = AlOT[18O]H+ + 2OH-
-Al(OH)2+ + OT- + [18O]D- = AlOT[18O]D+ + 2OH-
-Al(OH)2+ + [18O]H- + OH- = Al[18O]HOH+ + 2OH-
-Al(OH)2+ + [18O]H- + OD- = Al[18O]HOD+ + 2OH-
-Al(OH)2+ + [18O]H- + OT- = Al[18O]HOT+ + 2OH-
-Al(OH)2+ + [18O]H- + [18O]H- = Al[18O]H[18O]H+ + 2OH-
-Al(OH)2+ + [18O]H- + [18O]D- = Al[18O]H[18O]D+ + 2OH-
-Al(OH)2+ + [18O]H- + [18O]T- = Al[18O]H[18O]T+ + 2OH-
-Al(OH)2+ + [18O]D- + OH- = Al[18O]DOH+ + 2OH-
-Al(OH)2+ + [18O]D- + OD- = Al[18O]DOD+ + 2OH-
-Al(OH)2+ + [18O]D- + OT- = Al[18O]DOT+ + 2OH-
-Al(OH)2+ + [18O]D- + [18O]H- = Al[18O]D[18O]H+ + 2OH-
-Al(OH)2+ + [18O]D- + [18O]D- = Al[18O]D[18O]D+ + 2OH-
-Al(OH)2+ + [18O]D- + [18O]T- = Al[18O]D[18O]T+ + 2OH-
-Al(OH)2+ + [18O]T- + OH- = Al[18O]TOH+ + 2OH-
-Al(OH)2+ + [18O]T- + OD- = Al[18O]TOD+ + 2OH-
-Al(OH)2+ + [18O]T- + [18O]H- = Al[18O]T[18O]H+ + 2OH-
-Al(OH)2+ + [18O]T- + [18O]D- = Al[18O]T[18O]D+ + 2OH-
-#
-# Added Al(OH)3 reactions 16Dec09
-# Revised 17Dec09, limited the number of species
-#
-Al(OH)3 + OH- + OH- + OD- = AlOHOHOD + 3OH-
-Al(OH)3 + OH- + OH- + OT- = AlOHOHOT + 3OH-
-Al(OH)3 + OH- + OH- + [18O]H- = AlOHOH[18O]H + 3OH-
-Al(OH)3 + OH- + OH- + [18O]D- = AlOHOH[18O]D + 3OH-
-Al(OH)3 + OH- + OH- + [18O]T- = AlOHOH[18O]T + 3OH-
-Al(OH)3 + OH- + OD- + OH- = AlOHODOH + 3OH-
-Al(OH)3 + OH- + OD- + OD- = AlOHODOD + 3OH-
-Al(OH)3 + OH- + OD- + OT- = AlOHODOT + 3OH-
-Al(OH)3 + OH- + OD- + [18O]H- = AlOHOD[18O]H + 3OH-
-Al(OH)3 + OH- + OD- + [18O]D- = AlOHOD[18O]D + 3OH-
-Al(OH)3 + OH- + OD- + [18O]T- = AlOHOD[18O]T + 3OH-
-Al(OH)3 + OH- + OT- + OH- = AlOHOTOH + 3OH-
-Al(OH)3 + OH- + OT- + OD- = AlOHOTOD + 3OH-
-Al(OH)3 + OH- + OT- + [18O]H- = AlOHOT[18O]H + 3OH-
-Al(OH)3 + OH- + OT- + [18O]D- = AlOHOT[18O]D + 3OH-
-Al(OH)3 + OH- + [18O]H- + OH- = AlOH[18O]HOH + 3OH-
-Al(OH)3 + OH- + [18O]H- + OD- = AlOH[18O]HOD + 3OH-
-Al(OH)3 + OH- + [18O]H- + OT- = AlOH[18O]HOT + 3OH-
-Al(OH)3 + OH- + [18O]H- + [18O]H- = AlOH[18O]H[18O]H + 3OH-
-Al(OH)3 + OH- + [18O]H- + [18O]D- = AlOH[18O]H[18O]D + 3OH-
-Al(OH)3 + OH- + [18O]H- + [18O]T- = AlOH[18O]H[18O]T + 3OH-
-Al(OH)3 + OH- + [18O]D- + OH- = AlOH[18O]DOH + 3OH-
-Al(OH)3 + OH- + [18O]D- + OD- = AlOH[18O]DOD + 3OH-
-Al(OH)3 + OH- + [18O]D- + OT- = AlOH[18O]DOT + 3OH-
-Al(OH)3 + OH- + [18O]D- + [18O]H- = AlOH[18O]D[18O]H + 3OH-
-Al(OH)3 + OH- + [18O]D- + [18O]D- = AlOH[18O]D[18O]D + 3OH-
-Al(OH)3 + OH- + [18O]D- + [18O]T- = AlOH[18O]D[18O]T + 3OH-
-Al(OH)3 + OH- + [18O]T- + OH- = AlOH[18O]TOH + 3OH-
-Al(OH)3 + OH- + [18O]T- + OD- = AlOH[18O]TOD + 3OH-
-Al(OH)3 + OH- + [18O]T- + [18O]H- = AlOH[18O]T[18O]H + 3OH-
-Al(OH)3 + OH- + [18O]T- + [18O]D- = AlOH[18O]T[18O]D + 3OH-
-Al(OH)3 + OD- + OH- + OH- = AlODOHOH + 3OH-
-Al(OH)3 + OD- + OH- + OD- = AlODOHOD + 3OH-
-Al(OH)3 + OD- + OH- + OT- = AlODOHOT + 3OH-
-Al(OH)3 + OD- + OH- + [18O]H- = AlODOH[18O]H + 3OH-
-Al(OH)3 + OD- + OH- + [18O]D- = AlODOH[18O]D + 3OH-
-Al(OH)3 + OD- + OH- + [18O]T- = AlODOH[18O]T + 3OH-
-Al(OH)3 + OD- + OD- + OH- = AlODODOH + 3OH-
-Al(OH)3 + OD- + OD- + OT- = AlODODOT + 3OH-
-Al(OH)3 + OD- + OD- + [18O]H- = AlODOD[18O]H + 3OH-
-Al(OH)3 + OD- + OD- + [18O]T- = AlODOD[18O]T + 3OH-
-Al(OH)3 + OD- + OT- + OH- = AlODOTOH + 3OH-
-Al(OH)3 + OD- + OT- + OD- = AlODOTOD + 3OH-
-Al(OH)3 + OD- + OT- + [18O]H- = AlODOT[18O]H + 3OH-
-Al(OH)3 + OD- + OT- + [18O]D- = AlODOT[18O]D + 3OH-
-Al(OH)3 + OD- + [18O]H- + OH- = AlOD[18O]HOH + 3OH-
-Al(OH)3 + OD- + [18O]H- + OD- = AlOD[18O]HOD + 3OH-
-Al(OH)3 + OD- + [18O]H- + OT- = AlOD[18O]HOT + 3OH-
-Al(OH)3 + OD- + [18O]H- + [18O]H- = AlOD[18O]H[18O]H + 3OH-
-Al(OH)3 + OD- + [18O]H- + [18O]D- = AlOD[18O]H[18O]D + 3OH-
-Al(OH)3 + OD- + [18O]H- + [18O]T- = AlOD[18O]H[18O]T + 3OH-
-Al(OH)3 + OD- + [18O]D- + OH- = AlOD[18O]DOH + 3OH-
-Al(OH)3 + OD- + [18O]D- + OT- = AlOD[18O]DOT + 3OH-
-Al(OH)3 + OD- + [18O]D- + [18O]H- = AlOD[18O]D[18O]H + 3OH-
-Al(OH)3 + OD- + [18O]T- + OH- = AlOD[18O]TOH + 3OH-
-Al(OH)3 + OD- + [18O]T- + OD- = AlOD[18O]TOD + 3OH-
-Al(OH)3 + OD- + [18O]T- + [18O]H- = AlOD[18O]T[18O]H + 3OH-
-Al(OH)3 + OT- + OH- + OH- = AlOTOHOH + 3OH-
-Al(OH)3 + OT- + OH- + OD- = AlOTOHOD + 3OH-
-Al(OH)3 + OT- + OH- + [18O]H- = AlOTOH[18O]H + 3OH-
-Al(OH)3 + OT- + OH- + [18O]D- = AlOTOH[18O]D + 3OH-
-Al(OH)3 + OT- + OD- + OH- = AlOTODOH + 3OH-
-Al(OH)3 + OT- + OD- + OD- = AlOTODOD + 3OH-
-Al(OH)3 + OT- + OD- + [18O]H- = AlOTOD[18O]H + 3OH-
-Al(OH)3 + OT- + OD- + [18O]D- = AlOTOD[18O]D + 3OH-
-Al(OH)3 + OT- + [18O]H- + OH- = AlOT[18O]HOH + 3OH-
-Al(OH)3 + OT- + [18O]H- + OD- = AlOT[18O]HOD + 3OH-
-Al(OH)3 + OT- + [18O]H- + [18O]H- = AlOT[18O]H[18O]H + 3OH-
-Al(OH)3 + OT- + [18O]H- + [18O]D- = AlOT[18O]H[18O]D + 3OH-
-Al(OH)3 + OT- + [18O]D- + OH- = AlOT[18O]DOH + 3OH-
-Al(OH)3 + OT- + [18O]D- + OD- = AlOT[18O]DOD + 3OH-
-Al(OH)3 + OT- + [18O]D- + [18O]H- = AlOT[18O]D[18O]H + 3OH-
-Al(OH)3 + [18O]H- + OH- + OH- = Al[18O]HOHOH + 3OH-
-Al(OH)3 + [18O]H- + OH- + OD- = Al[18O]HOHOD + 3OH-
-Al(OH)3 + [18O]H- + OH- + OT- = Al[18O]HOHOT + 3OH-
-Al(OH)3 + [18O]H- + OH- + [18O]H- = Al[18O]HOH[18O]H + 3OH-
-Al(OH)3 + [18O]H- + OH- + [18O]D- = Al[18O]HOH[18O]D + 3OH-
-Al(OH)3 + [18O]H- + OH- + [18O]T- = Al[18O]HOH[18O]T + 3OH-
-Al(OH)3 + [18O]H- + OD- + OH- = Al[18O]HODOH + 3OH-
-Al(OH)3 + [18O]H- + OD- + OD- = Al[18O]HODOD + 3OH-
-Al(OH)3 + [18O]H- + OD- + OT- = Al[18O]HODOT + 3OH-
-Al(OH)3 + [18O]H- + OD- + [18O]H- = Al[18O]HOD[18O]H + 3OH-
-Al(OH)3 + [18O]H- + OD- + [18O]D- = Al[18O]HOD[18O]D + 3OH-
-Al(OH)3 + [18O]H- + OD- + [18O]T- = Al[18O]HOD[18O]T + 3OH-
-Al(OH)3 + [18O]H- + OT- + OH- = Al[18O]HOTOH + 3OH-
-Al(OH)3 + [18O]H- + OT- + OD- = Al[18O]HOTOD + 3OH-
-Al(OH)3 + [18O]H- + OT- + [18O]H- = Al[18O]HOT[18O]H + 3OH-
-Al(OH)3 + [18O]H- + OT- + [18O]D- = Al[18O]HOT[18O]D + 3OH-
-Al(OH)3 + [18O]H- + [18O]H- + OH- = Al[18O]H[18O]HOH + 3OH-
-Al(OH)3 + [18O]H- + [18O]H- + OD- = Al[18O]H[18O]HOD + 3OH-
-Al(OH)3 + [18O]H- + [18O]H- + OT- = Al[18O]H[18O]HOT + 3OH-
-Al(OH)3 + [18O]H- + [18O]D- + OH- = Al[18O]H[18O]DOH + 3OH-
-Al(OH)3 + [18O]H- + [18O]D- + OD- = Al[18O]H[18O]DOD + 3OH-
-Al(OH)3 + [18O]H- + [18O]D- + OT- = Al[18O]H[18O]DOT + 3OH-
-Al(OH)3 + [18O]H- + [18O]T- + OH- = Al[18O]H[18O]TOH + 3OH-
-Al(OH)3 + [18O]H- + [18O]T- + OD- = Al[18O]H[18O]TOD + 3OH-
-Al(OH)3 + [18O]D- + OH- + OH- = Al[18O]DOHOH + 3OH-
-Al(OH)3 + [18O]D- + OH- + OD- = Al[18O]DOHOD + 3OH-
-Al(OH)3 + [18O]D- + OH- + OT- = Al[18O]DOHOT + 3OH-
-Al(OH)3 + [18O]D- + OH- + [18O]H- = Al[18O]DOH[18O]H + 3OH-
-Al(OH)3 + [18O]D- + OH- + [18O]D- = Al[18O]DOH[18O]D + 3OH-
-Al(OH)3 + [18O]D- + OH- + [18O]T- = Al[18O]DOH[18O]T + 3OH-
-Al(OH)3 + [18O]D- + OD- + OH- = Al[18O]DODOH + 3OH-
-Al(OH)3 + [18O]D- + OD- + OT- = Al[18O]DODOT + 3OH-
-Al(OH)3 + [18O]D- + OD- + [18O]H- = Al[18O]DOD[18O]H + 3OH-
-Al(OH)3 + [18O]D- + OT- + OH- = Al[18O]DOTOH + 3OH-
-Al(OH)3 + [18O]D- + OT- + OD- = Al[18O]DOTOD + 3OH-
-Al(OH)3 + [18O]D- + OT- + [18O]H- = Al[18O]DOT[18O]H + 3OH-
-Al(OH)3 + [18O]D- + [18O]H- + OH- = Al[18O]D[18O]HOH + 3OH-
-Al(OH)3 + [18O]D- + [18O]H- + OD- = Al[18O]D[18O]HOD + 3OH-
-Al(OH)3 + [18O]D- + [18O]H- + OT- = Al[18O]D[18O]HOT + 3OH-
-Al(OH)3 + [18O]D- + [18O]D- + OH- = Al[18O]D[18O]DOH + 3OH-
-Al(OH)3 + [18O]D- + [18O]T- + OH- = Al[18O]D[18O]TOH + 3OH-
-Al(OH)3 + [18O]T- + OH- + OH- = Al[18O]TOHOH + 3OH-
-Al(OH)3 + [18O]T- + OH- + OD- = Al[18O]TOHOD + 3OH-
-Al(OH)3 + [18O]T- + OH- + [18O]H- = Al[18O]TOH[18O]H + 3OH-
-Al(OH)3 + [18O]T- + OH- + [18O]D- = Al[18O]TOH[18O]D + 3OH-
-Al(OH)3 + [18O]T- + OD- + OH- = Al[18O]TODOH + 3OH-
-Al(OH)3 + [18O]T- + OD- + OD- = Al[18O]TODOD + 3OH-
-Al(OH)3 + [18O]T- + OD- + [18O]H- = Al[18O]TOD[18O]H + 3OH-
-Al(OH)3 + [18O]T- + [18O]H- + OH- = Al[18O]T[18O]HOH + 3OH-
-Al(OH)3 + [18O]T- + [18O]H- + OD- = Al[18O]T[18O]HOD + 3OH-
-Al(OH)3 + [18O]T- + [18O]D- + OH- = Al[18O]T[18O]DOH + 3OH-
-#
-# Added Al(OH)4- reactions 16Dec09
-# Revised 17Dec09, limited the number of species
-#
-Al(OH)4- + OH- + OH- + OH- + OD- = AlOHOHOHOD- + 4OH-
-Al(OH)4- + OH- + OH- + OH- + OT- = AlOHOHOHOT- + 4OH-
-Al(OH)4- + OH- + OH- + OH- + [18O]H- = AlOHOHOH[18O]H- + 4OH-
-Al(OH)4- + OH- + OH- + OH- + [18O]D- = AlOHOHOH[18O]D- + 4OH-
-Al(OH)4- + OH- + OH- + OH- + [18O]T- = AlOHOHOH[18O]T- + 4OH-
-Al(OH)4- + OH- + OH- + OD- + OH- = AlOHOHODOH- + 4OH-
-Al(OH)4- + OH- + OH- + OD- + OD- = AlOHOHODOD- + 4OH-
-Al(OH)4- + OH- + OH- + OD- + OT- = AlOHOHODOT- + 4OH-
-Al(OH)4- + OH- + OH- + OD- + [18O]H- = AlOHOHOD[18O]H- + 4OH-
-Al(OH)4- + OH- + OH- + OD- + [18O]D- = AlOHOHOD[18O]D- + 4OH-
-Al(OH)4- + OH- + OH- + OD- + [18O]T- = AlOHOHOD[18O]T- + 4OH-
-Al(OH)4- + OH- + OH- + OT- + OH- = AlOHOHOTOH- + 4OH-
-Al(OH)4- + OH- + OH- + OT- + OD- = AlOHOHOTOD- + 4OH-
-Al(OH)4- + OH- + OH- + OT- + [18O]H- = AlOHOHOT[18O]H- + 4OH-
-Al(OH)4- + OH- + OH- + OT- + [18O]D- = AlOHOHOT[18O]D- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]H- + OH- = AlOHOH[18O]HOH- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]H- + OD- = AlOHOH[18O]HOD- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]H- + OT- = AlOHOH[18O]HOT- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]H- + [18O]H- = AlOHOH[18O]H[18O]H- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]H- + [18O]D- = AlOHOH[18O]H[18O]D- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]H- + [18O]T- = AlOHOH[18O]H[18O]T- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]D- + OH- = AlOHOH[18O]DOH- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]D- + OD- = AlOHOH[18O]DOD- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]D- + OT- = AlOHOH[18O]DOT- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]D- + [18O]H- = AlOHOH[18O]D[18O]H- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]D- + [18O]D- = AlOHOH[18O]D[18O]D- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]D- + [18O]T- = AlOHOH[18O]D[18O]T- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]T- + OH- = AlOHOH[18O]TOH- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]T- + OD- = AlOHOH[18O]TOD- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]T- + [18O]H- = AlOHOH[18O]T[18O]H- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]T- + [18O]D- = AlOHOH[18O]T[18O]D- + 4OH-
-Al(OH)4- + OH- + OD- + OH- + OH- = AlOHODOHOH- + 4OH-
-Al(OH)4- + OH- + OD- + OH- + OD- = AlOHODOHOD- + 4OH-
-Al(OH)4- + OH- + OD- + OH- + OT- = AlOHODOHOT- + 4OH-
-Al(OH)4- + OH- + OD- + OH- + [18O]H- = AlOHODOH[18O]H- + 4OH-
-Al(OH)4- + OH- + OD- + OH- + [18O]D- = AlOHODOH[18O]D- + 4OH-
-Al(OH)4- + OH- + OD- + OH- + [18O]T- = AlOHODOH[18O]T- + 4OH-
-Al(OH)4- + OH- + OD- + OD- + OH- = AlOHODODOH- + 4OH-
-Al(OH)4- + OH- + OD- + OD- + OT- = AlOHODODOT- + 4OH-
-Al(OH)4- + OH- + OD- + OD- + [18O]H- = AlOHODOD[18O]H- + 4OH-
-Al(OH)4- + OH- + OD- + OD- + [18O]T- = AlOHODOD[18O]T- + 4OH-
-Al(OH)4- + OH- + OD- + OT- + OH- = AlOHODOTOH- + 4OH-
-Al(OH)4- + OH- + OD- + OT- + OD- = AlOHODOTOD- + 4OH-
-Al(OH)4- + OH- + OD- + OT- + [18O]H- = AlOHODOT[18O]H- + 4OH-
-Al(OH)4- + OH- + OD- + OT- + [18O]D- = AlOHODOT[18O]D- + 4OH-
-Al(OH)4- + OH- + OD- + [18O]H- + OH- = AlOHOD[18O]HOH- + 4OH-
-Al(OH)4- + OH- + OD- + [18O]H- + OD- = AlOHOD[18O]HOD- + 4OH-
-Al(OH)4- + OH- + OD- + [18O]H- + OT- = AlOHOD[18O]HOT- + 4OH-
-Al(OH)4- + OH- + OD- + [18O]H- + [18O]H- = AlOHOD[18O]H[18O]H- + 4OH-
-Al(OH)4- + OH- + OD- + [18O]H- + [18O]D- = AlOHOD[18O]H[18O]D- + 4OH-
-Al(OH)4- + OH- + OD- + [18O]H- + [18O]T- = AlOHOD[18O]H[18O]T- + 4OH-
-Al(OH)4- + OH- + OD- + [18O]D- + OH- = AlOHOD[18O]DOH- + 4OH-
-Al(OH)4- + OH- + OD- + [18O]D- + OT- = AlOHOD[18O]DOT- + 4OH-
-Al(OH)4- + OH- + OD- + [18O]D- + [18O]H- = AlOHOD[18O]D[18O]H- + 4OH-
-Al(OH)4- + OH- + OD- + [18O]T- + OH- = AlOHOD[18O]TOH- + 4OH-
-Al(OH)4- + OH- + OD- + [18O]T- + OD- = AlOHOD[18O]TOD- + 4OH-
-Al(OH)4- + OH- + OD- + [18O]T- + [18O]H- = AlOHOD[18O]T[18O]H- + 4OH-
-Al(OH)4- + OH- + OT- + OH- + OH- = AlOHOTOHOH- + 4OH-
-Al(OH)4- + OH- + OT- + OH- + OD- = AlOHOTOHOD- + 4OH-
-Al(OH)4- + OH- + OT- + OH- + [18O]H- = AlOHOTOH[18O]H- + 4OH-
-Al(OH)4- + OH- + OT- + OH- + [18O]D- = AlOHOTOH[18O]D- + 4OH-
-Al(OH)4- + OH- + OT- + OD- + OH- = AlOHOTODOH- + 4OH-
-Al(OH)4- + OH- + OT- + OD- + OD- = AlOHOTODOD- + 4OH-
-Al(OH)4- + OH- + OT- + OD- + [18O]H- = AlOHOTOD[18O]H- + 4OH-
-Al(OH)4- + OH- + OT- + OD- + [18O]D- = AlOHOTOD[18O]D- + 4OH-
-Al(OH)4- + OH- + OT- + [18O]H- + OH- = AlOHOT[18O]HOH- + 4OH-
-Al(OH)4- + OH- + OT- + [18O]H- + OD- = AlOHOT[18O]HOD- + 4OH-
-Al(OH)4- + OH- + OT- + [18O]H- + [18O]H- = AlOHOT[18O]H[18O]H- + 4OH-
-Al(OH)4- + OH- + OT- + [18O]H- + [18O]D- = AlOHOT[18O]H[18O]D- + 4OH-
-Al(OH)4- + OH- + OT- + [18O]D- + OH- = AlOHOT[18O]DOH- + 4OH-
-Al(OH)4- + OH- + OT- + [18O]D- + OD- = AlOHOT[18O]DOD- + 4OH-
-Al(OH)4- + OH- + OT- + [18O]D- + [18O]H- = AlOHOT[18O]D[18O]H- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OH- + OH- = AlOH[18O]HOHOH- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OH- + OD- = AlOH[18O]HOHOD- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OH- + OT- = AlOH[18O]HOHOT- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OH- + [18O]H- = AlOH[18O]HOH[18O]H- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OH- + [18O]D- = AlOH[18O]HOH[18O]D- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OH- + [18O]T- = AlOH[18O]HOH[18O]T- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OD- + OH- = AlOH[18O]HODOH- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OD- + OD- = AlOH[18O]HODOD- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OD- + OT- = AlOH[18O]HODOT- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OD- + [18O]H- = AlOH[18O]HOD[18O]H- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OD- + [18O]D- = AlOH[18O]HOD[18O]D- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OD- + [18O]T- = AlOH[18O]HOD[18O]T- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OT- + OH- = AlOH[18O]HOTOH- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OT- + OD- = AlOH[18O]HOTOD- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OT- + [18O]H- = AlOH[18O]HOT[18O]H- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OT- + [18O]D- = AlOH[18O]HOT[18O]D- + 4OH-
-Al(OH)4- + OH- + [18O]H- + [18O]H- + OH- = AlOH[18O]H[18O]HOH- + 4OH-
-Al(OH)4- + OH- + [18O]H- + [18O]H- + OD- = AlOH[18O]H[18O]HOD- + 4OH-
-Al(OH)4- + OH- + [18O]H- + [18O]H- + OT- = AlOH[18O]H[18O]HOT- + 4OH-
-Al(OH)4- + OH- + [18O]H- + [18O]D- + OH- = AlOH[18O]H[18O]DOH- + 4OH-
-Al(OH)4- + OH- + [18O]H- + [18O]D- + OD- = AlOH[18O]H[18O]DOD- + 4OH-
-Al(OH)4- + OH- + [18O]H- + [18O]D- + OT- = AlOH[18O]H[18O]DOT- + 4OH-
-Al(OH)4- + OH- + [18O]H- + [18O]T- + OH- = AlOH[18O]H[18O]TOH- + 4OH-
-Al(OH)4- + OH- + [18O]H- + [18O]T- + OD- = AlOH[18O]H[18O]TOD- + 4OH-
-Al(OH)4- + OH- + [18O]D- + OH- + OH- = AlOH[18O]DOHOH- + 4OH-
-Al(OH)4- + OH- + [18O]D- + OH- + OD- = AlOH[18O]DOHOD- + 4OH-
-Al(OH)4- + OH- + [18O]D- + OH- + OT- = AlOH[18O]DOHOT- + 4OH-
-Al(OH)4- + OH- + [18O]D- + OH- + [18O]H- = AlOH[18O]DOH[18O]H- + 4OH-
-Al(OH)4- + OH- + [18O]D- + OH- + [18O]D- = AlOH[18O]DOH[18O]D- + 4OH-
-Al(OH)4- + OH- + [18O]D- + OH- + [18O]T- = AlOH[18O]DOH[18O]T- + 4OH-
-Al(OH)4- + OH- + [18O]D- + OD- + OH- = AlOH[18O]DODOH- + 4OH-
-Al(OH)4- + OH- + [18O]D- + OD- + OT- = AlOH[18O]DODOT- + 4OH-
-Al(OH)4- + OH- + [18O]D- + OD- + [18O]H- = AlOH[18O]DOD[18O]H- + 4OH-
-Al(OH)4- + OH- + [18O]D- + OT- + OH- = AlOH[18O]DOTOH- + 4OH-
-Al(OH)4- + OH- + [18O]D- + OT- + OD- = AlOH[18O]DOTOD- + 4OH-
-Al(OH)4- + OH- + [18O]D- + OT- + [18O]H- = AlOH[18O]DOT[18O]H- + 4OH-
-Al(OH)4- + OH- + [18O]D- + [18O]H- + OH- = AlOH[18O]D[18O]HOH- + 4OH-
-Al(OH)4- + OH- + [18O]D- + [18O]H- + OD- = AlOH[18O]D[18O]HOD- + 4OH-
-Al(OH)4- + OH- + [18O]D- + [18O]H- + OT- = AlOH[18O]D[18O]HOT- + 4OH-
-Al(OH)4- + OH- + [18O]D- + [18O]D- + OH- = AlOH[18O]D[18O]DOH- + 4OH-
-Al(OH)4- + OH- + [18O]D- + [18O]T- + OH- = AlOH[18O]D[18O]TOH- + 4OH-
-Al(OH)4- + OH- + [18O]T- + OH- + OH- = AlOH[18O]TOHOH- + 4OH-
-Al(OH)4- + OH- + [18O]T- + OH- + OD- = AlOH[18O]TOHOD- + 4OH-
-Al(OH)4- + OH- + [18O]T- + OH- + [18O]H- = AlOH[18O]TOH[18O]H- + 4OH-
-Al(OH)4- + OH- + [18O]T- + OH- + [18O]D- = AlOH[18O]TOH[18O]D- + 4OH-
-Al(OH)4- + OH- + [18O]T- + OD- + OH- = AlOH[18O]TODOH- + 4OH-
-Al(OH)4- + OH- + [18O]T- + OD- + OD- = AlOH[18O]TODOD- + 4OH-
-Al(OH)4- + OH- + [18O]T- + OD- + [18O]H- = AlOH[18O]TOD[18O]H- + 4OH-
-Al(OH)4- + OH- + [18O]T- + [18O]H- + OH- = AlOH[18O]T[18O]HOH- + 4OH-
-Al(OH)4- + OH- + [18O]T- + [18O]H- + OD- = AlOH[18O]T[18O]HOD- + 4OH-
-Al(OH)4- + OH- + [18O]T- + [18O]D- + OH- = AlOH[18O]T[18O]DOH- + 4OH-
-Al(OH)4- + OD- + OH- + OH- + OH- = AlODOHOHOH- + 4OH-
-Al(OH)4- + OD- + OH- + OH- + OD- = AlODOHOHOD- + 4OH-
-Al(OH)4- + OD- + OH- + OH- + OT- = AlODOHOHOT- + 4OH-
-Al(OH)4- + OD- + OH- + OH- + [18O]H- = AlODOHOH[18O]H- + 4OH-
-Al(OH)4- + OD- + OH- + OH- + [18O]D- = AlODOHOH[18O]D- + 4OH-
-Al(OH)4- + OD- + OH- + OH- + [18O]T- = AlODOHOH[18O]T- + 4OH-
-Al(OH)4- + OD- + OH- + OD- + OH- = AlODOHODOH- + 4OH-
-Al(OH)4- + OD- + OH- + OD- + OT- = AlODOHODOT- + 4OH-
-Al(OH)4- + OD- + OH- + OD- + [18O]H- = AlODOHOD[18O]H- + 4OH-
-Al(OH)4- + OD- + OH- + OD- + [18O]T- = AlODOHOD[18O]T- + 4OH-
-Al(OH)4- + OD- + OH- + OT- + OH- = AlODOHOTOH- + 4OH-
-Al(OH)4- + OD- + OH- + OT- + OD- = AlODOHOTOD- + 4OH-
-Al(OH)4- + OD- + OH- + OT- + [18O]H- = AlODOHOT[18O]H- + 4OH-
-Al(OH)4- + OD- + OH- + OT- + [18O]D- = AlODOHOT[18O]D- + 4OH-
-Al(OH)4- + OD- + OH- + [18O]H- + OH- = AlODOH[18O]HOH- + 4OH-
-Al(OH)4- + OD- + OH- + [18O]H- + OD- = AlODOH[18O]HOD- + 4OH-
-Al(OH)4- + OD- + OH- + [18O]H- + OT- = AlODOH[18O]HOT- + 4OH-
-Al(OH)4- + OD- + OH- + [18O]H- + [18O]H- = AlODOH[18O]H[18O]H- + 4OH-
-Al(OH)4- + OD- + OH- + [18O]H- + [18O]D- = AlODOH[18O]H[18O]D- + 4OH-
-Al(OH)4- + OD- + OH- + [18O]H- + [18O]T- = AlODOH[18O]H[18O]T- + 4OH-
-Al(OH)4- + OD- + OH- + [18O]D- + OH- = AlODOH[18O]DOH- + 4OH-
-Al(OH)4- + OD- + OH- + [18O]D- + OT- = AlODOH[18O]DOT- + 4OH-
-Al(OH)4- + OD- + OH- + [18O]D- + [18O]H- = AlODOH[18O]D[18O]H- + 4OH-
-Al(OH)4- + OD- + OH- + [18O]T- + OH- = AlODOH[18O]TOH- + 4OH-
-Al(OH)4- + OD- + OH- + [18O]T- + OD- = AlODOH[18O]TOD- + 4OH-
-Al(OH)4- + OD- + OH- + [18O]T- + [18O]H- = AlODOH[18O]T[18O]H- + 4OH-
-Al(OH)4- + OD- + OD- + OH- + OH- = AlODODOHOH- + 4OH-
-Al(OH)4- + OD- + OD- + OH- + OT- = AlODODOHOT- + 4OH-
-Al(OH)4- + OD- + OD- + OH- + [18O]H- = AlODODOH[18O]H- + 4OH-
-Al(OH)4- + OD- + OD- + OH- + [18O]T- = AlODODOH[18O]T- + 4OH-
-Al(OH)4- + OD- + OD- + OT- + OH- = AlODODOTOH- + 4OH-
-Al(OH)4- + OD- + OD- + OT- + [18O]H- = AlODODOT[18O]H- + 4OH-
-Al(OH)4- + OD- + OD- + [18O]H- + OH- = AlODOD[18O]HOH- + 4OH-
-Al(OH)4- + OD- + OD- + [18O]H- + OT- = AlODOD[18O]HOT- + 4OH-
-Al(OH)4- + OD- + OD- + [18O]H- + [18O]H- = AlODOD[18O]H[18O]H- + 4OH-
-Al(OH)4- + OD- + OD- + [18O]T- + OH- = AlODOD[18O]TOH- + 4OH-
-Al(OH)4- + OD- + OT- + OH- + OH- = AlODOTOHOH- + 4OH-
-Al(OH)4- + OD- + OT- + OH- + OD- = AlODOTOHOD- + 4OH-
-Al(OH)4- + OD- + OT- + OH- + [18O]H- = AlODOTOH[18O]H- + 4OH-
-Al(OH)4- + OD- + OT- + OH- + [18O]D- = AlODOTOH[18O]D- + 4OH-
-Al(OH)4- + OD- + OT- + OD- + OH- = AlODOTODOH- + 4OH-
-Al(OH)4- + OD- + OT- + OD- + [18O]H- = AlODOTOD[18O]H- + 4OH-
-Al(OH)4- + OD- + OT- + [18O]H- + OH- = AlODOT[18O]HOH- + 4OH-
-Al(OH)4- + OD- + OT- + [18O]H- + OD- = AlODOT[18O]HOD- + 4OH-
-Al(OH)4- + OD- + OT- + [18O]H- + [18O]H- = AlODOT[18O]H[18O]H- + 4OH-
-Al(OH)4- + OD- + OT- + [18O]D- + OH- = AlODOT[18O]DOH- + 4OH-
-Al(OH)4- + OD- + [18O]H- + OH- + OH- = AlOD[18O]HOHOH- + 4OH-
-Al(OH)4- + OD- + [18O]H- + OH- + OD- = AlOD[18O]HOHOD- + 4OH-
-Al(OH)4- + OD- + [18O]H- + OH- + OT- = AlOD[18O]HOHOT- + 4OH-
-Al(OH)4- + OD- + [18O]H- + OH- + [18O]H- = AlOD[18O]HOH[18O]H- + 4OH-
-Al(OH)4- + OD- + [18O]H- + OH- + [18O]D- = AlOD[18O]HOH[18O]D- + 4OH-
-Al(OH)4- + OD- + [18O]H- + OH- + [18O]T- = AlOD[18O]HOH[18O]T- + 4OH-
-Al(OH)4- + OD- + [18O]H- + OD- + OH- = AlOD[18O]HODOH- + 4OH-
-Al(OH)4- + OD- + [18O]H- + OD- + OT- = AlOD[18O]HODOT- + 4OH-
-Al(OH)4- + OD- + [18O]H- + OD- + [18O]H- = AlOD[18O]HOD[18O]H- + 4OH-
-Al(OH)4- + OD- + [18O]H- + OT- + OH- = AlOD[18O]HOTOH- + 4OH-
-Al(OH)4- + OD- + [18O]H- + OT- + OD- = AlOD[18O]HOTOD- + 4OH-
-Al(OH)4- + OD- + [18O]H- + OT- + [18O]H- = AlOD[18O]HOT[18O]H- + 4OH-
-Al(OH)4- + OD- + [18O]H- + [18O]H- + OH- = AlOD[18O]H[18O]HOH- + 4OH-
-Al(OH)4- + OD- + [18O]H- + [18O]H- + OD- = AlOD[18O]H[18O]HOD- + 4OH-
-Al(OH)4- + OD- + [18O]H- + [18O]H- + OT- = AlOD[18O]H[18O]HOT- + 4OH-
-Al(OH)4- + OD- + [18O]H- + [18O]D- + OH- = AlOD[18O]H[18O]DOH- + 4OH-
-Al(OH)4- + OD- + [18O]H- + [18O]T- + OH- = AlOD[18O]H[18O]TOH- + 4OH-
-Al(OH)4- + OD- + [18O]D- + OH- + OH- = AlOD[18O]DOHOH- + 4OH-
-Al(OH)4- + OD- + [18O]D- + OH- + OT- = AlOD[18O]DOHOT- + 4OH-
-Al(OH)4- + OD- + [18O]D- + OH- + [18O]H- = AlOD[18O]DOH[18O]H- + 4OH-
-Al(OH)4- + OD- + [18O]D- + OT- + OH- = AlOD[18O]DOTOH- + 4OH-
-Al(OH)4- + OD- + [18O]D- + [18O]H- + OH- = AlOD[18O]D[18O]HOH- + 4OH-
-Al(OH)4- + OD- + [18O]T- + OH- + OH- = AlOD[18O]TOHOH- + 4OH-
-Al(OH)4- + OD- + [18O]T- + OH- + OD- = AlOD[18O]TOHOD- + 4OH-
-Al(OH)4- + OD- + [18O]T- + OH- + [18O]H- = AlOD[18O]TOH[18O]H- + 4OH-
-Al(OH)4- + OD- + [18O]T- + OD- + OH- = AlOD[18O]TODOH- + 4OH-
-Al(OH)4- + OD- + [18O]T- + [18O]H- + OH- = AlOD[18O]T[18O]HOH- + 4OH-
-Al(OH)4- + OT- + OH- + OH- + OH- = AlOTOHOHOH- + 4OH-
-Al(OH)4- + OT- + OH- + OH- + OD- = AlOTOHOHOD- + 4OH-
-Al(OH)4- + OT- + OH- + OH- + [18O]H- = AlOTOHOH[18O]H- + 4OH-
-Al(OH)4- + OT- + OH- + OH- + [18O]D- = AlOTOHOH[18O]D- + 4OH-
-Al(OH)4- + OT- + OH- + OD- + OH- = AlOTOHODOH- + 4OH-
-Al(OH)4- + OT- + OH- + OD- + OD- = AlOTOHODOD- + 4OH-
-Al(OH)4- + OT- + OH- + OD- + [18O]H- = AlOTOHOD[18O]H- + 4OH-
-Al(OH)4- + OT- + OH- + OD- + [18O]D- = AlOTOHOD[18O]D- + 4OH-
-Al(OH)4- + OT- + OH- + [18O]H- + OH- = AlOTOH[18O]HOH- + 4OH-
-Al(OH)4- + OT- + OH- + [18O]H- + OD- = AlOTOH[18O]HOD- + 4OH-
-Al(OH)4- + OT- + OH- + [18O]H- + [18O]H- = AlOTOH[18O]H[18O]H- + 4OH-
-Al(OH)4- + OT- + OH- + [18O]H- + [18O]D- = AlOTOH[18O]H[18O]D- + 4OH-
-Al(OH)4- + OT- + OH- + [18O]D- + OH- = AlOTOH[18O]DOH- + 4OH-
-Al(OH)4- + OT- + OH- + [18O]D- + OD- = AlOTOH[18O]DOD- + 4OH-
-Al(OH)4- + OT- + OH- + [18O]D- + [18O]H- = AlOTOH[18O]D[18O]H- + 4OH-
-Al(OH)4- + OT- + OD- + OH- + OH- = AlOTODOHOH- + 4OH-
-Al(OH)4- + OT- + OD- + OH- + OD- = AlOTODOHOD- + 4OH-
-Al(OH)4- + OT- + OD- + OH- + [18O]H- = AlOTODOH[18O]H- + 4OH-
-Al(OH)4- + OT- + OD- + OH- + [18O]D- = AlOTODOH[18O]D- + 4OH-
-Al(OH)4- + OT- + OD- + OD- + OH- = AlOTODODOH- + 4OH-
-Al(OH)4- + OT- + OD- + OD- + [18O]H- = AlOTODOD[18O]H- + 4OH-
-Al(OH)4- + OT- + OD- + [18O]H- + OH- = AlOTOD[18O]HOH- + 4OH-
-Al(OH)4- + OT- + OD- + [18O]H- + OD- = AlOTOD[18O]HOD- + 4OH-
-Al(OH)4- + OT- + OD- + [18O]H- + [18O]H- = AlOTOD[18O]H[18O]H- + 4OH-
-Al(OH)4- + OT- + OD- + [18O]D- + OH- = AlOTOD[18O]DOH- + 4OH-
-Al(OH)4- + OT- + [18O]H- + OH- + OH- = AlOT[18O]HOHOH- + 4OH-
-Al(OH)4- + OT- + [18O]H- + OH- + OD- = AlOT[18O]HOHOD- + 4OH-
-Al(OH)4- + OT- + [18O]H- + OH- + [18O]H- = AlOT[18O]HOH[18O]H- + 4OH-
-Al(OH)4- + OT- + [18O]H- + OH- + [18O]D- = AlOT[18O]HOH[18O]D- + 4OH-
-Al(OH)4- + OT- + [18O]H- + OD- + OH- = AlOT[18O]HODOH- + 4OH-
-Al(OH)4- + OT- + [18O]H- + OD- + OD- = AlOT[18O]HODOD- + 4OH-
-Al(OH)4- + OT- + [18O]H- + OD- + [18O]H- = AlOT[18O]HOD[18O]H- + 4OH-
-Al(OH)4- + OT- + [18O]H- + [18O]H- + OH- = AlOT[18O]H[18O]HOH- + 4OH-
-Al(OH)4- + OT- + [18O]H- + [18O]H- + OD- = AlOT[18O]H[18O]HOD- + 4OH-
-Al(OH)4- + OT- + [18O]H- + [18O]D- + OH- = AlOT[18O]H[18O]DOH- + 4OH-
-Al(OH)4- + OT- + [18O]D- + OH- + OH- = AlOT[18O]DOHOH- + 4OH-
-Al(OH)4- + OT- + [18O]D- + OH- + OD- = AlOT[18O]DOHOD- + 4OH-
-Al(OH)4- + OT- + [18O]D- + OH- + [18O]H- = AlOT[18O]DOH[18O]H- + 4OH-
-Al(OH)4- + OT- + [18O]D- + OD- + OH- = AlOT[18O]DODOH- + 4OH-
-Al(OH)4- + OT- + [18O]D- + [18O]H- + OH- = AlOT[18O]D[18O]HOH- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OH- + OH- = Al[18O]HOHOHOH- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OH- + OD- = Al[18O]HOHOHOD- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OH- + OT- = Al[18O]HOHOHOT- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OH- + [18O]H- = Al[18O]HOHOH[18O]H- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OH- + [18O]D- = Al[18O]HOHOH[18O]D- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OH- + [18O]T- = Al[18O]HOHOH[18O]T- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OD- + OH- = Al[18O]HOHODOH- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OD- + OD- = Al[18O]HOHODOD- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OD- + OT- = Al[18O]HOHODOT- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OD- + [18O]H- = Al[18O]HOHOD[18O]H- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OD- + [18O]D- = Al[18O]HOHOD[18O]D- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OD- + [18O]T- = Al[18O]HOHOD[18O]T- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OT- + OH- = Al[18O]HOHOTOH- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OT- + OD- = Al[18O]HOHOTOD- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OT- + [18O]H- = Al[18O]HOHOT[18O]H- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OT- + [18O]D- = Al[18O]HOHOT[18O]D- + 4OH-
-Al(OH)4- + [18O]H- + OH- + [18O]H- + OH- = Al[18O]HOH[18O]HOH- + 4OH-
-Al(OH)4- + [18O]H- + OH- + [18O]H- + OD- = Al[18O]HOH[18O]HOD- + 4OH-
-Al(OH)4- + [18O]H- + OH- + [18O]H- + OT- = Al[18O]HOH[18O]HOT- + 4OH-
-Al(OH)4- + [18O]H- + OH- + [18O]D- + OH- = Al[18O]HOH[18O]DOH- + 4OH-
-Al(OH)4- + [18O]H- + OH- + [18O]D- + OD- = Al[18O]HOH[18O]DOD- + 4OH-
-Al(OH)4- + [18O]H- + OH- + [18O]D- + OT- = Al[18O]HOH[18O]DOT- + 4OH-
-Al(OH)4- + [18O]H- + OH- + [18O]T- + OH- = Al[18O]HOH[18O]TOH- + 4OH-
-Al(OH)4- + [18O]H- + OH- + [18O]T- + OD- = Al[18O]HOH[18O]TOD- + 4OH-
-Al(OH)4- + [18O]H- + OD- + OH- + OH- = Al[18O]HODOHOH- + 4OH-
-Al(OH)4- + [18O]H- + OD- + OH- + OD- = Al[18O]HODOHOD- + 4OH-
-Al(OH)4- + [18O]H- + OD- + OH- + OT- = Al[18O]HODOHOT- + 4OH-
-Al(OH)4- + [18O]H- + OD- + OH- + [18O]H- = Al[18O]HODOH[18O]H- + 4OH-
-Al(OH)4- + [18O]H- + OD- + OH- + [18O]D- = Al[18O]HODOH[18O]D- + 4OH-
-Al(OH)4- + [18O]H- + OD- + OH- + [18O]T- = Al[18O]HODOH[18O]T- + 4OH-
-Al(OH)4- + [18O]H- + OD- + OD- + OH- = Al[18O]HODODOH- + 4OH-
-Al(OH)4- + [18O]H- + OD- + OD- + OT- = Al[18O]HODODOT- + 4OH-
-Al(OH)4- + [18O]H- + OD- + OD- + [18O]H- = Al[18O]HODOD[18O]H- + 4OH-
-Al(OH)4- + [18O]H- + OD- + OT- + OH- = Al[18O]HODOTOH- + 4OH-
-Al(OH)4- + [18O]H- + OD- + OT- + OD- = Al[18O]HODOTOD- + 4OH-
-Al(OH)4- + [18O]H- + OD- + OT- + [18O]H- = Al[18O]HODOT[18O]H- + 4OH-
-Al(OH)4- + [18O]H- + OD- + [18O]H- + OH- = Al[18O]HOD[18O]HOH- + 4OH-
-Al(OH)4- + [18O]H- + OD- + [18O]H- + OD- = Al[18O]HOD[18O]HOD- + 4OH-
-Al(OH)4- + [18O]H- + OD- + [18O]H- + OT- = Al[18O]HOD[18O]HOT- + 4OH-
-Al(OH)4- + [18O]H- + OD- + [18O]D- + OH- = Al[18O]HOD[18O]DOH- + 4OH-
-Al(OH)4- + [18O]H- + OD- + [18O]T- + OH- = Al[18O]HOD[18O]TOH- + 4OH-
-Al(OH)4- + [18O]H- + OT- + OH- + OH- = Al[18O]HOTOHOH- + 4OH-
-Al(OH)4- + [18O]H- + OT- + OH- + OD- = Al[18O]HOTOHOD- + 4OH-
-Al(OH)4- + [18O]H- + OT- + OH- + [18O]H- = Al[18O]HOTOH[18O]H- + 4OH-
-Al(OH)4- + [18O]H- + OT- + OH- + [18O]D- = Al[18O]HOTOH[18O]D- + 4OH-
-Al(OH)4- + [18O]H- + OT- + OD- + OH- = Al[18O]HOTODOH- + 4OH-
-Al(OH)4- + [18O]H- + OT- + OD- + OD- = Al[18O]HOTODOD- + 4OH-
-Al(OH)4- + [18O]H- + OT- + OD- + [18O]H- = Al[18O]HOTOD[18O]H- + 4OH-
-Al(OH)4- + [18O]H- + OT- + [18O]H- + OH- = Al[18O]HOT[18O]HOH- + 4OH-
-Al(OH)4- + [18O]H- + OT- + [18O]H- + OD- = Al[18O]HOT[18O]HOD- + 4OH-
-Al(OH)4- + [18O]H- + OT- + [18O]D- + OH- = Al[18O]HOT[18O]DOH- + 4OH-
-Al(OH)4- + [18O]H- + [18O]H- + OH- + OH- = Al[18O]H[18O]HOHOH- + 4OH-
-Al(OH)4- + [18O]H- + [18O]H- + OH- + OD- = Al[18O]H[18O]HOHOD- + 4OH-
-Al(OH)4- + [18O]H- + [18O]H- + OH- + OT- = Al[18O]H[18O]HOHOT- + 4OH-
-Al(OH)4- + [18O]H- + [18O]H- + OD- + OH- = Al[18O]H[18O]HODOH- + 4OH-
-Al(OH)4- + [18O]H- + [18O]H- + OD- + OD- = Al[18O]H[18O]HODOD- + 4OH-
-Al(OH)4- + [18O]H- + [18O]H- + OD- + OT- = Al[18O]H[18O]HODOT- + 4OH-
-Al(OH)4- + [18O]H- + [18O]H- + OT- + OH- = Al[18O]H[18O]HOTOH- + 4OH-
-Al(OH)4- + [18O]H- + [18O]H- + OT- + OD- = Al[18O]H[18O]HOTOD- + 4OH-
-Al(OH)4- + [18O]H- + [18O]D- + OH- + OH- = Al[18O]H[18O]DOHOH- + 4OH-
-Al(OH)4- + [18O]H- + [18O]D- + OH- + OD- = Al[18O]H[18O]DOHOD- + 4OH-
-Al(OH)4- + [18O]H- + [18O]D- + OH- + OT- = Al[18O]H[18O]DOHOT- + 4OH-
-Al(OH)4- + [18O]H- + [18O]D- + OD- + OH- = Al[18O]H[18O]DODOH- + 4OH-
-Al(OH)4- + [18O]H- + [18O]D- + OT- + OH- = Al[18O]H[18O]DOTOH- + 4OH-
-Al(OH)4- + [18O]H- + [18O]T- + OH- + OH- = Al[18O]H[18O]TOHOH- + 4OH-
-Al(OH)4- + [18O]H- + [18O]T- + OH- + OD- = Al[18O]H[18O]TOHOD- + 4OH-
-Al(OH)4- + [18O]H- + [18O]T- + OD- + OH- = Al[18O]H[18O]TODOH- + 4OH-
-Al(OH)4- + [18O]D- + OH- + OH- + OH- = Al[18O]DOHOHOH- + 4OH-
-Al(OH)4- + [18O]D- + OH- + OH- + OD- = Al[18O]DOHOHOD- + 4OH-
-Al(OH)4- + [18O]D- + OH- + OH- + OT- = Al[18O]DOHOHOT- + 4OH-
-Al(OH)4- + [18O]D- + OH- + OH- + [18O]H- = Al[18O]DOHOH[18O]H- + 4OH-
-Al(OH)4- + [18O]D- + OH- + OH- + [18O]D- = Al[18O]DOHOH[18O]D- + 4OH-
-Al(OH)4- + [18O]D- + OH- + OH- + [18O]T- = Al[18O]DOHOH[18O]T- + 4OH-
-Al(OH)4- + [18O]D- + OH- + OD- + OH- = Al[18O]DOHODOH- + 4OH-
-Al(OH)4- + [18O]D- + OH- + OD- + OT- = Al[18O]DOHODOT- + 4OH-
-Al(OH)4- + [18O]D- + OH- + OD- + [18O]H- = Al[18O]DOHOD[18O]H- + 4OH-
-Al(OH)4- + [18O]D- + OH- + OT- + OH- = Al[18O]DOHOTOH- + 4OH-
-Al(OH)4- + [18O]D- + OH- + OT- + OD- = Al[18O]DOHOTOD- + 4OH-
-Al(OH)4- + [18O]D- + OH- + OT- + [18O]H- = Al[18O]DOHOT[18O]H- + 4OH-
-Al(OH)4- + [18O]D- + OH- + [18O]H- + OH- = Al[18O]DOH[18O]HOH- + 4OH-
-Al(OH)4- + [18O]D- + OH- + [18O]H- + OD- = Al[18O]DOH[18O]HOD- + 4OH-
-Al(OH)4- + [18O]D- + OH- + [18O]H- + OT- = Al[18O]DOH[18O]HOT- + 4OH-
-Al(OH)4- + [18O]D- + OH- + [18O]D- + OH- = Al[18O]DOH[18O]DOH- + 4OH-
-Al(OH)4- + [18O]D- + OH- + [18O]T- + OH- = Al[18O]DOH[18O]TOH- + 4OH-
-Al(OH)4- + [18O]D- + OD- + OH- + OH- = Al[18O]DODOHOH- + 4OH-
-Al(OH)4- + [18O]D- + OD- + OH- + OT- = Al[18O]DODOHOT- + 4OH-
-Al(OH)4- + [18O]D- + OD- + OH- + [18O]H- = Al[18O]DODOH[18O]H- + 4OH-
-Al(OH)4- + [18O]D- + OD- + OT- + OH- = Al[18O]DODOTOH- + 4OH-
-Al(OH)4- + [18O]D- + OD- + [18O]H- + OH- = Al[18O]DOD[18O]HOH- + 4OH-
-Al(OH)4- + [18O]D- + OT- + OH- + OH- = Al[18O]DOTOHOH- + 4OH-
-Al(OH)4- + [18O]D- + OT- + OH- + OD- = Al[18O]DOTOHOD- + 4OH-
-Al(OH)4- + [18O]D- + OT- + OH- + [18O]H- = Al[18O]DOTOH[18O]H- + 4OH-
-Al(OH)4- + [18O]D- + OT- + OD- + OH- = Al[18O]DOTODOH- + 4OH-
-Al(OH)4- + [18O]D- + OT- + [18O]H- + OH- = Al[18O]DOT[18O]HOH- + 4OH-
-Al(OH)4- + [18O]D- + [18O]H- + OH- + OH- = Al[18O]D[18O]HOHOH- + 4OH-
-Al(OH)4- + [18O]D- + [18O]H- + OH- + OD- = Al[18O]D[18O]HOHOD- + 4OH-
-Al(OH)4- + [18O]D- + [18O]H- + OH- + OT- = Al[18O]D[18O]HOHOT- + 4OH-
-Al(OH)4- + [18O]D- + [18O]H- + OD- + OH- = Al[18O]D[18O]HODOH- + 4OH-
-Al(OH)4- + [18O]D- + [18O]H- + OT- + OH- = Al[18O]D[18O]HOTOH- + 4OH-
-Al(OH)4- + [18O]D- + [18O]D- + OH- + OH- = Al[18O]D[18O]DOHOH- + 4OH-
-Al(OH)4- + [18O]D- + [18O]T- + OH- + OH- = Al[18O]D[18O]TOHOH- + 4OH-
-Al(OH)4- + [18O]T- + OH- + OH- + OH- = Al[18O]TOHOHOH- + 4OH-
-Al(OH)4- + [18O]T- + OH- + OH- + OD- = Al[18O]TOHOHOD- + 4OH-
-Al(OH)4- + [18O]T- + OH- + OH- + [18O]H- = Al[18O]TOHOH[18O]H- + 4OH-
-Al(OH)4- + [18O]T- + OH- + OH- + [18O]D- = Al[18O]TOHOH[18O]D- + 4OH-
-Al(OH)4- + [18O]T- + OH- + OD- + OH- = Al[18O]TOHODOH- + 4OH-
-Al(OH)4- + [18O]T- + OH- + OD- + OD- = Al[18O]TOHODOD- + 4OH-
-Al(OH)4- + [18O]T- + OH- + OD- + [18O]H- = Al[18O]TOHOD[18O]H- + 4OH-
-Al(OH)4- + [18O]T- + OH- + [18O]H- + OH- = Al[18O]TOH[18O]HOH- + 4OH-
-Al(OH)4- + [18O]T- + OH- + [18O]H- + OD- = Al[18O]TOH[18O]HOD- + 4OH-
-Al(OH)4- + [18O]T- + OH- + [18O]D- + OH- = Al[18O]TOH[18O]DOH- + 4OH-
-Al(OH)4- + [18O]T- + OD- + OH- + OH- = Al[18O]TODOHOH- + 4OH-
-Al(OH)4- + [18O]T- + OD- + OH- + OD- = Al[18O]TODOHOD- + 4OH-
-Al(OH)4- + [18O]T- + OD- + OH- + [18O]H- = Al[18O]TODOH[18O]H- + 4OH-
-Al(OH)4- + [18O]T- + OD- + OD- + OH- = Al[18O]TODODOH- + 4OH-
-Al(OH)4- + [18O]T- + OD- + [18O]H- + OH- = Al[18O]TOD[18O]HOH- + 4OH-
-Al(OH)4- + [18O]T- + [18O]H- + OH- + OH- = Al[18O]T[18O]HOHOH- + 4OH-
-Al(OH)4- + [18O]T- + [18O]H- + OH- + OD- = Al[18O]T[18O]HOHOD- + 4OH-
-Al(OH)4- + [18O]T- + [18O]H- + OD- + OH- = Al[18O]T[18O]HODOH- + 4OH-
-Al(OH)4- + [18O]T- + [18O]D- + OH- + OH- = Al[18O]T[18O]DOHOH- + 4OH-
-#
-# Added AlSO4+ reactions 16Dec09
-#
-AlSO4+ + [34S]O4-2 = Al[34S]O4+ + SO4-2
-#
-# Added Al(SO4)2- reactions 16Dec09
-# Revised 17Dec09, limited the number of species
-#
-Al(SO4)2- + SO4-2 + [34S]O4-2 = AlSO4[34S]O4- + 2SO4-2
-Al(SO4)2- + [34S]O4-2 + SO4-2 = Al[34S]O4SO4- + 2SO4-2
-Al(SO4)2- + [34S]O4-2 + [34S]O4-2 = Al[34S]O4[34S]O4- + 2SO4-2
-#
-# Added AlHSO4+2 reactions 16Dec09
-#
-AlHSO4+2 + DSO4- = AlDSO4+2 + HSO4-
-AlHSO4+2 + TSO4- = AlTSO4+2 + HSO4-
-AlHSO4+2 + H[34S]O4- = AlH[34S]O4+2 + HSO4-
-AlHSO4+2 + D[34S]O4- = AlD[34S]O4+2 + HSO4-
-AlHSO4+2 + T[34S]O4- = AlT[34S]O4+2 + HSO4-
-#
-# Missing H4SiO4 reactions
-#
-#
-# Missing H3SiO4- reactions
-#
-#
-# Missing H2SiO4-2 reactions
-#
-
-###############################################################################################
-PHASES
-###############################################################################################
-#
-# Water vapor - Water
-# last update March 20, 2006
-# Updated September 19, 2006
-# Checked September 19, 2006
-#
-HDO(g)
- HDO(g) + H2O(l) = H2O(g) + HDO(aq)
- -add_logk Log_alpha_D_H2O(g)/H2O(l) -1.0
-
-HTO(g)
- HTO(g) + H2O(l) = H2O(g) + HTO(aq)
- -add_logk Log_alpha_T_H2O(g)/H2O(l) -1.0
-
-DTO(g)
- DTO(g) + H2O(g) = HDO(g) + HTO(g)
- log_k 0.301029995663 # log10(2)
-
-D2O(g)
- D2O(g) + H2O(g) = 2HDO(g)
- log_k 0.602059991327962396 # log10(4)
-
-T2O(g)
- T2O(g) + H2O(g) = 2HTO(g)
- log_k 0.602059991327962396 # log10(4)
-
-H2[18O](g)
- H2[18O](g) + H2O(l) = H2O(g) + H2[18O](aq)
- -add_logk Log_alpha_18O_H2O(g)/H2O(l) -1.0
-
-HD[18O](g)
- HD[18O](g) + H2O(g) = HDO(g) + H2[18O](g)
- log_k 0.0
-
-HT[18O](g)
- HT[18O](g) + H2O(g) = HTO(g) + H2[18O](g)
- log_k 0.0
-
-D2[18O](g)
- D2[18O](g) + H2O(g) = D2O(g) + H2[18O](g)
- log_k 0.0
-
-T2[18O](g)
- T2[18O](g) + H2O(g) = T2O(g) + H2[18O](g)
- log_k 0.0
-
-DT[18O](g)
- DT[18O](g) + H2O(g) = DTO(g) + H2[18O](g)
- log_k 0.0
-#
-# O2 gas - O2 aqueous
-# last update March 20, 2006
-# Updated September 19, 2006
-# Checked September 19, 2006
-#
-O[18O](g)
- O[18O](g) + H2O(l) = O2(g) + H2[18O](aq)
-## symmetry K ??
- -add_logk Log_alpha_18O_O2(g)/H2O(l) -1.0
-
-[18O]2(g)
- [18O]2(g) + O2(g) = 2O[18O](g)
- log_k 0.602059991327962396 # log10(4)
-#
-# H2 gas - H2 aqueous
-# last update March 20, 2006
-# Updated September 19, 2006
-# Checked September 19, 2006
-#
-HD(g)
- HD(g) + H2O(l) = H2(g) + HDO(aq)
- -add_logk Log_alpha_D_H2(g)/H2O(l) -1.0
-
-HT(g)
- HT(g) + H2O(l) = H2(g) + HTO(aq)
- -add_logk Log_alpha_T_H2(g)/H2O(l) -1.0
-
-D2(g)
- D2(g) + H2(g) = 2HD(g)
- log_k 0.602059991327962396 # log10(4)
-
-T2(g)
- T2(g) + H2(g) = 2HT(g)
- log_k 0.602059991327962396 # log10(4)
-
-DT(g)
- DT(g) + H2(g) = HD(g) + HT(g)
- log_k 0.301029995663 # log10(2)
-#
-# CO2 gas - CO2 aqueous
-# last update March 20, 2006
-# Updated September 19, 2006
-# Checked September 19, 2006
-#
-CO[18O](g)
- CO[18O](g) + H2O(l) = H2[18O](aq) + CO2(g)
- log_k -0.301029995663 # -log10(2)
- -add_logk Log_alpha_18O_CO2(g)/H2O(l) -1.0
-
-C[18O]2(g)
- C[18O]2(g) + CO2(g) = 2CO[18O](g)
- log_k 0.602059991327962396 # log10(4)
-
-[13C]O2(g)
- [13C]O2(g) + CO2(aq) = [13C]O2(aq) + CO2(g)
- -add_logk Log_alpha_13C_CO2(g)/CO2(aq) -1.0
-
-[13C]O[18O](g)
- [13C]O[18O](g) + CO2(g) = [13C]O2(g) + CO[18O](g)
- log_k 0
-
-[13C][18O]2(g)
- [13C][18O]2(g) + CO2(g) = C[18O]2(g) + [13C]O2(g)
- log_k 0
-
-[14C]O2(g)
- [14C]O2(g) + CO2(aq) = [14C]O2(aq) + CO2(g)
- -add_logk Log_alpha_14C_CO2(g)/CO2(aq) -1.0
-
-[14C]O[18O](g)
- [14C]O[18O](g) + CO2(g) = [14C]O2(g) + CO[18O](g)
- log_k 0
-
-[14C][18O]2(g)
- [14C][18O]2(g) + CO2(g) = [14C]O2(g) + C[18O]2(g)
- log_k 0
-#
-# Calcite
-# last update Feb 13, 2006
-# Updated September 19, 2006
-# Checked September 19, 2006
-#
-CaCO2[18O](s)
- CaCO2[18O](s) + H2O(l) = H2[18O](aq) + Calcite(s)
- log_k -0.477121254719 # -log10(3) ???
- -add_logk Log_alpha_18O_Calcite/H2O(l) -1.0
-
-CaCO[18O]2(s)
- CaCO[18O]2(s) + Calcite(s) = 2CaCO2[18O](s)
- log_k 0.477121254719 # log10(3)
-
-CaC[18O]3(s)
- CaC[18O]3(s) + 2Calcite(s) = 3CaCO2[18O](s)
- log_k 1.431363764158 # log10(27)
-
-Ca[13C]O3(s)
- Ca[13C]O3(s) + CO2 = [13C]O2 + Calcite(s)
- -add_logk Log_alpha_13C_Calcite/CO2(aq) -1.0
-
-Ca[13C]O2[18O](s)
- Ca[13C]O2[18O](s) + Calcite(s) = Ca[13C]O3(s) + CaCO2[18O](s)
- log_k 0
-
-Ca[13C]O[18O]2(s)
- Ca[13C]O[18O]2(s) + Calcite(s) = Ca[13C]O3(s) + CaCO[18O]2(s)
- log_k 0
-
-Ca[13C][18O]3(s)
- Ca[13C][18O]3(s) + Calcite(s) = Ca[13C]O3(s) + CaC[18O]3(s)
- log_k 0
-
-Ca[14C]O3(s)
- Ca[14C]O3(s) + CO2 = Calcite(s) + [14C]O2
- -add_logk Log_alpha_14C_Calcite/CO2(aq) -1.0
-
-Ca[14C]O2[18O](s)
- Ca[14C]O2[18O](s) + Calcite(s) = Ca[14C]O3(s) + CaCO2[18O](s)
- log_k 0
-
-Ca[14C]O[18O]2(s)
- Ca[14C]O[18O]2(s) + Calcite(s) = Ca[14C]O3(s) + CaCO[18O]2(s)
- log_k 0
-
-Ca[14C][18O]3(s)
- Ca[14C][18O]3(s) + Calcite(s) = Ca[14C]O3(s) + CaC[18O]3(s)
- log_k 0
-#
-# Pyrite, March 20, 2006
-# Update September 28, 2006
-# Checked September 28, 2006
-#
-Pyrite_FeS[34S]
- FeS[34S](s) + HS- = Pyrite(s) + H[34S]-
- -add_logk Log_alpha_34S_Pyrite/HS- -1.0
-
-Pyrite_Fe[34S]S
- Fe[34S]S(s) = Pyrite_FeS[34S](s)
-
-Pyrite_Fe[34S]2
- Fe[34S]2(s) + Pyrite(s) = 2Pyrite_FeS[34S](s)
-#
-# CH4 reactions
-# last update March 20, 2006
-# Updated September 19, 2006
-# Checked September 19, 2006
-#
-CH3D(g)
- CH3D(g) + H2O(l) = CH4(g) + HDO(aq)
- log_k -0.301029995663 # -log10(2) ???
- -add_logk Log_alpha_D_CH4(g)/H2O(l) -1.0
-
-CH2D2(g)
- CH2D2(g) + CH4(g) = 2CH3D(g)
- log_k 0.42596873227228 # log10(8/3)
-
-CHD3(g)
- CHD3(g) + 2CH4(g) = 3CH3D(g)
- log_k 1.20411998265 # log10(16)
-
-CD4(g)
- CD4(g) + 3CH4(g) = 4CH3D(g)
- log_k 2.408239965311 # log10(256)
-
-CH3T(g)
- CH3T(g) + H2O(l) = CH4(g) + HTO(aq)
- log_k -0.301029995663 # -log10(2) ???
- -add_logk Log_alpha_T_CH4(g)/H2O(l) -1.0
-
-CH2T2(g)
- CH2T2(g) + CH4(g) = 2CH3T(g)
- log_k 0.42596873227228 # log10(8/3)
-
-CHT3(g)
- CHT3(g) + 2CH4(g) = 3CH3T(g)
- log_k 1.20411998265 # log10(16)
-
-CT4(g)
- CT4(g) + 3CH4(g) = 4CH3T(g)
- log_k 2.408239965311 # log10(256)
-
-CD3T(g)
- CD3T(g) + CH4(g) = CHD3(g) + CH3T(g)
- log_k 0.602059991327962396 # log10(4)
-
-CD2T2(g)
- CD2T2(g) + CH4(g) = CH2D2(g) + CH2T2(g)
- log_k 0.7781512503836 # log10(6)
-
-CDT3(g)
- CDT3(g) + CH4(g) = CHT3(g) + CH3D(g)
- log_k 0.602059991327962396 # log10(4)
-
-[13C]H4(g)
- [13C]H4(g) + CO2(aq) = [13C]O2(aq) + CH4(g)
- -add_logk Log_alpha_13C_CH4(g)/CO2(aq) -1.0
-
-[13C]H3D(g)
- [13C]H3D(g) + CH4(g) = CH3D(g) + [13C]H4(g)
-
-[13C]H2D2(g)
- [13C]H2D2(g) + CH4(g) = CH2D2(g) + [13C]H4(g)
-
-[13C]HD3(g)
- [13C]HD3(g) + CH4(g) = CHD3(g) + [13C]H4(g)
-
-[13C]D4(g)
- [13C]D4(g) + CH4(g) = CD4(g) + [13C]H4(g)
-
-[13C]H3T(g)
- [13C]H3T(g) + CH4(g) = CH3T(g) + [13C]H4(g)
-
-[13C]H2T2(g)
- [13C]H2T2(g) + CH4(g) = CH2T2(g) + [13C]H4(g)
-
-[13C]HT3(g)
- [13C]HT3(g) + CH4(g) = CHT3(g) + [13C]H4(g)
-
-[13C]T4(g)
- [13C]T4(g) + CH4(g) = CT4(g) + [13C]H4(g)
-
-[13C]D3T(g)
- [13C]D3T(g) + CH4(g) = CD3T(g) + [13C]H4(g)
-
-[13C]D2T2(g)
- [13C]D2T2(g) + CH4(g) = CD2T2(g) + [13C]H4(g)
-
-[13C]DT3(g)
- [13C]DT3(g) + CH4(g) = CDT3(g) + [13C]H4(g)
-
-[13C]T4(g)
- [13C]T4(g) + CH4(g) = CT4(g) + [13C]H4(g)
-
-[14C]H4(g)
- [14C]H4(g) + CO2(aq) = [14C]O2(aq) + CH4(g)
- -add_logk Log_alpha_14C_CH4(g)/CO2(aq) -1.0
-
-[14C]H3D(g)
- [14C]H3D(g) + CH4(g) = CH3D(g) + [14C]H4(g)
-
-[14C]H2D2(g)
- [14C]H2D2(g) + CH4(g) = CH2D2(g) + [14C]H4(g)
-
-[14C]HD3(g)
- [14C]HD3(g) + CH4(g) = CHD3(g) + [14C]H4(g)
-
-[14C]D4(g)
- [14C]D4(g) + CH4(g) = CD4(g) + [14C]H4(g)
-
-[14C]H3T(g)
- [14C]H3T(g) + CH4(g) = CH3T(g) + [14C]H4(g)
-
-[14C]H2T2(g)
- [14C]H2T2(g) + CH4(g) = CH2T2(g) + [14C]H4(g)
-
-[14C]HT3(g)
- [14C]HT3(g) + CH4(g) = CHT3(g) + [14C]H4(g)
-
-[14C]T4(g)
- [14C]T4(g) + CH4(g) = CT4(g) + [14C]H4(g)
-
-[14C]D3T(g)
- [14C]D3T(g) + CH4(g) = CD3T(g) + [14C]H4(g)
-
-[14C]D2T2(g)
- [14C]D2T2(g) + CH4(g) = CD2T2(g) + [14C]H4(g)
-
-[14C]DT3(g)
- [14C]DT3(g) + CH4(g) = CDT3(g) + [14C]H4(g)
-
-[14C]T4(g)
- [14C]T4(g) + CH4(g) = CT4(g) + [14C]H4(g)
-#
-# updated March 20, 2006
-# Updated September 28, 2006
-# Checked September 28, 2006
-#
-HDS(g)
- HDS(g) + H2S(aq) = HDS(aq) + H2S(g)
- -add_logk Log_alpha_D_H2S(g)/H2S(aq) -1.0
-
-D2S(g)
- D2S(g) + H2S(g) = 2HDS(g)
- log_k 0.602059991327962396 # log10(4)
-
-HTS(g)
- HTS(g) + H2S(aq) = HTS(aq) + H2S(g)
- -add_logk Log_alpha_T_H2S(g)/H2S(aq) -1.0
-
-T2S(g)
- T2S(g) + H2S(g) = 2HTS(g)
- log_k 0.602059991327962396 # log10(4)
-
-DTS(g)
- DTS(g) + H2S(g) = HDS(g) + HTS(g)
- log_k 0.301029995663 # log10(2)
-
-H2[34S](g)
- H2[34S](g) + H2S(aq) = H2[34S](aq) + H2S(g)
- -add_logk Log_alpha_34S_H2S(g)/H2S(aq) -1.0
-
-HD[34S](g)
- HD[34S](g) + H2S(g) = HDS(g) + H2[34S](g)
-
-D2[34S](g)
- D2[34S](g) + H2S(g) = D2S(g) + H2[34S](g)
-
-HT[34S](g)
- HT[34S](g) + H2S(g) = HTS(g) + H2[34S](g)
-
-T2[34S](g)
- T2[34S](g) + H2S(g) = T2S(g) + H2[34S](g)
-
-DT[34S](g)
- DT[34S](g) + H2S(g) = DTS(g) + H2[34S](g)
-
-#
-# Gypsum and anhydrite
-#
-Ca[34S]O4:2H2O
- Ca[34S]O4:2H2O + SO4-2 = [34S]O4-2 + Gypsum(s)
- -add_logk Log_alpha_34S_Gypsum/SO4-2 -1.0
-
-Ca[34S]O4
- Ca[34S]O4 + SO4-2 = [34S]O4-2 + Anhydrite(s)
- -add_logk Log_alpha_34S_Anhydrite/SO4-2 -1.0
-#
-# Nitrogen phases
-# Checked September 19, 2006
-#
-N[15N](g)
- N[15N](g) + N2(aq) = N[15N](aq) + N2(g)
- -add_logk Log_alpha_15N_N2(g)/N2(aq) -1.0
-
-[15N]2(g)
- [15N]2(g) + N2(g) = 2N[15N](g)
- log_k 0.602059991327962396 # log10(4)
-
-NH2D(g)
- NH2D(g) + H2O(l) = NH3(g) + HDO(aq)
-## symmetry K??
- -add_logk Log_alpha_D_NH3(g)/H2O(l) -1.0
-
-NHD2(g)
- NHD2(g) + NH3(g) = 2NH2D(g)
- log_k 0.477121254719 # log10(3)
-
-ND3(g)
- ND3(g) + 2NH3(g) = 3NH2D(g)
- -logk 1.431363764158 # log10(27)
-
-NH2T(g)
- NH2T(g) + H2O(l) = NH3(g) + HTO(aq)
-## symmetry K??
- -add_logk Log_alpha_T_NH3(g)/H2O(l) -1.0
-
-NHT2(g)
- NHT2(g) + NH3(g) = 2NH2T(g)
- log_k 0.477121254719 # log10(3)
-
-NT3(g)
- NT3(g) + 2NH3(g) = 3NH2T(g)
- -logk 1.431363764158 # log10(27)
-
-ND2T(g)
- ND2T(g) + NH3(g) = NHD2(g) + NH2T(g)
- log_k 0.477121254719 # log10(3)
-
-NDT2(g)
- NDT2(g) + NH3(g) = NH2D(g) + NHT2(g)
- log_k 0.477121254719 # log10(3)
-
-[15N]H3(g)
- [15N]H3(g) + NH3(aq) = [15N]H3(aq) + NH3(g)
- -add_logk Log_alpha_15N_NH3(g)/NH3(aq) -1.0
-
-[15N]H2D(g)
- [15N]H2D(g) + NH3(g) = NH2D(g) + [15N]H3(g)
-
-[15N]HD2(g)
- [15N]HD2(g) + NH3(g) = NHD2(g) + [15N]H3(g)
-
-[15N]D3(g)
- [15N]D3(g) + NH3(g) = ND3(g) + [15N]H3(g)
-
-[15N]H2T(g)
- [15N]H2T(g) + NH3(g) = NH2T(g) + [15N]H3(g)
-
-[15N]HT2(g)
- [15N]HT2(g) + NH3(g) = NHT2(g) + [15N]H3(g)
-
-[15N]T3(g)
- [15N]T3(g) + NH3(g) = NT3(g) + [15N]H3(g)
-
-[15N]D2T(g)
- [15N]D2T(g) + NH3(g) = ND2T(g) + [15N]H3(g)
-
-[15N]DT2(g)
- [15N]DT2(g) + NH3(g) = NDT2(g) + [15N]H3(g)
diff --git a/Tests/Data/PhreeqcDatabase/iso.dat b/Tests/Data/PhreeqcDatabase/iso.dat
new file mode 120000
index 00000000000..cf1c2872adf
--- /dev/null
+++ b/Tests/Data/PhreeqcDatabase/iso.dat
@@ -0,0 +1 @@
+../../../ThirdParty/iphreeqc/src/database/iso.dat
\ No newline at end of file
diff --git a/Tests/Data/PhreeqcDatabase/llnl.dat b/Tests/Data/PhreeqcDatabase/llnl.dat
deleted file mode 100644
index 0c1904c4fc1..00000000000
--- a/Tests/Data/PhreeqcDatabase/llnl.dat
+++ /dev/null
@@ -1,19306 +0,0 @@
-# $Id: llnl.dat 12758 2017-08-01 22:09:36Z dlpark $
-#Data are from 'thermo.com.V8.R6.230' prepared by Jim Johnson at
-#Lawrence Livermore National Laboratory, in Geochemist's Workbench
-#format. Converted to Phreeqc format by Greg Anderson with help from
-#David Parkhurst. A few organic species have been omitted.
-
-#Delta H of reaction calculated from Delta H of formations given in
-#thermo.com.V8.R6.230 (8 Mar 2000).
-
-#Note that species have various valid temperature ranges, noted in
-#the Range parameter. However, Phreeqc at present makes no use of
-#this parameter, so it is the user's responsibility to remain in the
-#valid temperature range for all the data used.
-
-#This version is relatively untested. Kindly send comments or
-#corrections to Greg Anderson at greg@geology.utoronto.ca.
-
-LLNL_AQUEOUS_MODEL_PARAMETERS
--temperatures
- 0.0100 25.0000 60.0000 100.0000
- 150.0000 200.0000 250.0000 300.0000
-#debye huckel a (adh)
--dh_a
- 0.4939 0.5114 0.5465 0.5995
- 0.6855 0.7994 0.9593 1.2180
-#debye huckel b (bdh)
--dh_b
- 0.3253 0.3288 0.3346 0.3421
- 0.3525 0.3639 0.3766 0.3925
--bdot
- 0.0374 0.0410 0.0438 0.0460
- 0.0470 0.0470 0.0340 0.0000
-#cco2 (coefficients for the Drummond (1981) polynomial)
--co2_coefs
- -1.0312 0.0012806
- 255.9 0.4445
- -0.001606
-NAMED_EXPRESSIONS
-#
-# formation of O2 from H2O
-# 2H2O = O2 + 4H+ + 4e-
-#
- Log_K_O2
- log_k -85.9951
- -delta_H 559.543 kJ/mol # Calculated enthalpy of reaction O2
-# Enthalpy of formation: -2.9 kcal/mol
- -analytic 38.0229 7.99407E-03 -2.7655e+004 -1.4506e+001 199838.45
-# Range: 0-300
-
-
-SOLUTION_MASTER_SPECIES
-
-#element species alk gfw_formula element_gfw
-
-Acetate HAcetate 0.0 Acetate 59.
-Ag Ag+ 0.0 Ag 107.8682
-Ag(1) Ag+ 0 Ag
-Ag(2) Ag+2 0 Ag
-Al Al+3 0.0 Al 26.9815
-Alkalinity HCO3- 1.0 Ca0.5(CO3)0.5 50.05
-Am Am+3 0.0 Am 243.0000
-Am(+2) Am+2 0.0 Am
-Am(+3) Am+3 0.0 Am
-Am(+4) Am+4 0.0 Am
-Am(+5) AmO2+ 0.0 Am
-Am(+6) AmO2+2 0.0 Am
-Ar Ar 0.0 Ar 39.948
-As H2AsO4- 0.0 As 74.9216
-As(-3) AsH3 0.0 As
-As(+3) H2AsO3- 0.0 As
-As(+5) H2AsO4- 0.0 As
-Au Au+ 0.0 Au 196.9665
-Au(+1) Au+ 0.0 Au
-Au(+3) Au+3 0.0 Au
-#B H3BO3 0.0 B 10.811
-B B(OH)3 0.0 B 10.811
-B(3) B(OH)3 0 B
-B(-5) BH4- 0 B
-Ba Ba+2 0.0 Ba 137.3270
-Be Be+2 0.0 Be 9.0122
-Br Br- 0.0 Br 79.904
-Br(-03) Br3- 0 Br
-Br(-1) Br- 0 Br
-Br(0) Br2 0 Br
-Br(1) BrO- 0 Br
-Br(5) BrO3- 0 Br
-Br(7) BrO4- 0 Br
-C(-4) CH4 0.0 CH4
-C(-3) C2H6 0.0 C2H6
-C(-2) C2H4 0.0 C2H4
-C HCO3- 1.0 HCO3 12.0110
-C(+2) CO 0 C
-C(+4) HCO3- 1.0 HCO3
-Ca Ca+2 0.0 Ca 40.078
-Cyanide Cyanide- 1.0 CN 26.
-Cd Cd+2 0.0 Cd 112.411
-Ce Ce+3 0.0 Ce 140.115
-Ce(+2) Ce+2 0.0 Ce
-Ce(+3) Ce+3 0.0 Ce
-Ce(+4) Ce+4 0.0 Ce
-Cl Cl- 0.0 Cl 35.4527
-Cl(-1) Cl- 0 Cl
-Cl(1) ClO- 0 Cl
-Cl(3) ClO2- 0 Cl
-Cl(5) ClO3- 0 Cl
-Cl(7) ClO4- 0 Cl
-Co Co+2 0.0 Co 58.9332
-Co(+2) Co+2 0.0 Co
-Co(+3) Co+3 0.0 Co
-Cr CrO4-2 0.0 CrO4-2 51.9961
-Cr(+2) Cr+2 0.0 Cr
-Cr(+3) Cr+3 0.0 Cr
-Cr(+5) CrO4-3 0.0 Cr
-Cr(+6) CrO4-2 0.0 Cr
-Cs Cs+ 0.0 Cs 132.9054
-Cu Cu+2 0.0 Cu 63.546
-Cu(+1) Cu+1 0.0 Cu
-Cu(+2) Cu+2 0.0 Cu
-Dy Dy+3 0.0 Dy 162.50
-Dy(+2) Dy+2 0.0 Dy
-Dy(+3) Dy+3 0.0 Dy
-E e- 0.0 0.0 0.0
-Er Er+3 0.0 Er 167.26
-Er(+2) Er+2 0.0 Er
-Er(+3) Er+3 0.0 Er
-Ethylene Ethylene 0.0 Ethylene 28.0536
-Eu Eu+3 0.0 Eu 151.965
-Eu(+2) Eu+2 0.0 Eu
-Eu(+3) Eu+3 0.0 Eu
-F F- 0.0 F 18.9984
-Fe Fe+2 0.0 Fe 55.847
-Fe(+2) Fe+2 0.0 Fe
-Fe(+3) Fe+3 -2.0 Fe
-Ga Ga+3 0.0 Ga 69.723
-Gd Gd+3 0.0 Gd 157.25
-Gd(+2) Gd+2 0.0 Gd
-Gd(+3) Gd+3 0.0 Gd
-H H+ -1. H 1.0079
-H(0) H2 0.0 H
-H(+1) H+ -1. 0.0
-He He 0.0 He 4.0026
-He(0) He 0.0 He
-Hf Hf+4 0.0 Hf 178.49
-Hg Hg+2 0.0 Hg 200.59
-Hg(+1) Hg2+2 0.0 Hg
-Hg(+2) Hg+2 0.0 Hg
-Ho Ho+3 0.0 Ho 164.9303
-Ho(+2) Ho+2 0.0 Ho
-Ho(+3) Ho+3 0.0 Ho
-I I- 0.0 I 126.9045
-I(-03) I3- 0 I
-I(-1) I- 0.0 I
-I(+1) IO- 0.0 I
-I(+5) IO3- 0.0 I
-I(+7) IO4- 0.0 I
-In In+3 0.0 In 114.82
-K K+ 0.0 K 39.0983
-Kr Kr 0.0 Kr 83.80
-Kr(0) Kr 0.0 Kr
-La La+3 0.0 La 138.9055
-La(2) La+2 0 La
-La(3) La+3 0 La
-Li Li+ 0.0 Li 6.9410
-Lu Lu+3 0.0 Lu 174.967
-Mg Mg+2 0.0 Mg 24.305
-Mn Mn+2 0.0 Mn 54.938
-Mn(+2) Mn+2 0.0 Mn
-Mn(+3) Mn+3 0.0 Mn
-Mn(+6) MnO4-2 0 Mn
-Mn(+7) MnO4- 0 Mn
-Mo MoO4-2 0.0 Mo 95.94
-N NH3 1.0 N 14.0067
-N(-3) NH3 1.0 N
-N(-03) N3- 0.0 N
-N(0) N2 0.0 N
-N(+3) NO2- 0.0 N
-N(+5) NO3- 0.0 N
-Na Na+ 0.0 Na 22.9898
-Nd Nd+3 0.0 Nd 144.24
-Nd(+2) Nd+2 0.0 Nd
-Nd(+3) Nd+3 0.0 Nd
-Ne Ne 0.0 Ne 20.1797
-#Ne(0) Ne 0.0 Ne
-Ni Ni+2 0.0 Ni 58.69
-Np Np+4 0.0 Np 237.048
-Np(+3) Np+3 0.0 Np
-Np(+4) Np+4 0.0 Np
-Np(+5) NpO2+ 0.0 Np
-Np(+6) NpO2+2 0.0 Np
-O H2O 0.0 O 15.994
-O(-2) H2O 0.0 0.0
-O(0) O2 0.0 O
-O_phthalate O_phthalate-2 0 1 1
-P HPO4-2 2.0 P 30.9738
-P(-3) PH4+ 0 P
-P(5) HPO4-2 2.0 P
-Pb Pb+2 0.0 Pb 207.20
-Pb(+2) Pb+2 0.0 Pb
-Pb(+4) Pb+4 0.0 Pb
-Pd Pd+2 0.0 Pd 106.42
-Pm Pm+3 0.0 Pm 147.00
-Pm(+2) Pm+2 0.0 Pm
-Pm(+3) Pm+3 0.0 Pm
-Pr Pr+3 0.0 Pr 140.9076
-Pr(+2) Pr+2 0.0 Pr
-Pr(+3) Pr+3 0.0 Pr
-Pu Pu+4 0.0 Pu 244.00
-Pu(+3) Pu+3 0.0 Pu
-Pu(+4) Pu+4 0.0 Pu
-Pu(+5) PuO2+ 0.0 Pu
-Pu(+6) PuO2+2 0.0 Pu
-Ra Ra+2 0.0 Ra 226.025
-Rb Rb+ 0.0 Rb 85.4678
-Re ReO4- 0.0 Re 186.207
-Rn Rn 0.0 Rn 222.00
-Ru RuO4-2 0.0 Ru 101.07
-Ru(+2) Ru+2 0.0 Ru
-Ru(+3) Ru+3 0.0 Ru
-Ru(+4) Ru(OH)2+2 0.0 Ru
-Ru(+6) RuO4-2 0.0 Ru
-Ru(+7) RuO4- 0.0 Ru
-Ru(+8) RuO4 0.0 Ru
-S SO4-2 0.0 SO4 32.066
-S(-2) HS- 1.0 S
-S(+2) S2O3-2 0.0 S
-S(+3) S2O4-2 0.0 S
-S(+4) SO3-2 0.0 S
-S(+5) S2O5-2 0.0 S
-S(+6) SO4-2 0.0 SO4
-S(+7) S2O8-2 0.0 S
-S(+8) HSO5- 0.0 S
-Sb Sb(OH)3 0.0 Sb 121.75
-Sc Sc+3 0.0 Sc 44.9559
-Se SeO3-2 0.0 Se 78.96
-Se(-2) HSe- 0.0 Se
-Se(+4) SeO3-2 0.0 Se
-Se(+6) SeO4-2 0.0 Se
-Si SiO2 0.0 SiO2 28.0855
-Sm Sm+3 0.0 Sm 150.36
-Sm(+2) Sm+2 0.0 Sm
-Sm(+3) Sm+3 0.0 Sm
-Sn Sn+2 0.0 Sn 118.71
-Sn(+2) Sn+2 0.0 Sn
-Sn(+4) Sn+4 0.0 Sn
-Sr Sr+2 0.0 Sr 87.62
-Tb Tb+3 0.0 Tb 158.9253
-Tb(+2) Tb+2 0.0 Tb
-Tb(+3) Tb+3 0.0 Tb
-Tc TcO4- 0.0 Tc 98.00
-Tc(+3) Tc+3 0.0 Tc
-Tc(+4) TcO+2 0.0 Tc
-Tc(+5) TcO4-3 0.0 Tc
-Tc(+6) TcO4-2 0.0 Tc
-Tc(+7) TcO4- 0.0 Tc
-Thiocyanate Thiocyanate- 0.0 SCN 58.
-Th Th+4 0.0 Th 232.0381
-Ti Ti(OH)4 0.0 Ti 47.88
-Tl Tl+ 0.0 Tl 204.3833
-Tl(+1) Tl+ 0.0 Tl
-Tl(+3) Tl+3 0.0 Tl
-Tm Tm+3 0.0 Tm 168.9342
-Tm(+2) Tm+2 0.0 Tm
-Tm(+3) Tm+3 0.0 Tm
-U UO2+2 0.0 U 238.0289
-U(+3) U+3 0.0 U
-U(+4) U+4 0.0 U
-U(+5) UO2+ 0.0 U
-U(+6) UO2+2 0.0 U
-V VO+2 0.0 V 50.9415
-V(+3) V+3 0.0 V
-V(+4) VO+2 0.0 V
-V(+5) VO2+ 0.0 V
-W WO4-2 0.0 W 183.85
-Xe Xe 0.0 Xe 131.29
-Xe(0) Xe 0.0 Xe
-Y Y+3 0.0 Y 88.9059
-Yb Yb+3 0.0 Yb 173.04
-Yb(+2) Yb+2 0.0 Yb
-Yb(+3) Yb+3 0.0 Yb
-Zn Zn+2 0.0 Zn 65.39
-Zr Zr(OH)2+2 0.0 Zr 91.224
-
-SOLUTION_SPECIES
-
-HAcetate = HAcetate
- -llnl_gamma 3.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction HAcetate
-# Enthalpy of formation: -116.1 kcal/mol
-Ag+ = Ag+
- -llnl_gamma 2.5000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ag+
-# Enthalpy of formation: 25.275 kcal/mol
-Al+3 = Al+3
- -llnl_gamma 9.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Al+3
-# Enthalpy of formation: -128.681 kcal/mol
-Am+3 = Am+3
- -llnl_gamma 5.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Am+3
-# Enthalpy of formation: -616.7 kJ/mol
-Ar = Ar
- -llnl_gamma 3.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ar
-# Enthalpy of formation: -2.87 kcal/mol
-Au+ = Au+
- -llnl_gamma 4.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Au+
-# Enthalpy of formation: 47.58 kcal/mol
-B(OH)3 = B(OH)3
- -llnl_gamma 3.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction B(OH)3
-# Enthalpy of formation: -256.82 kcal/mol
-Ba+2 = Ba+2
- -llnl_gamma 5.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ba+2
-# Enthalpy of formation: -128.5 kcal/mol
-Be+2 = Be+2
- -llnl_gamma 8.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Be+2
-# Enthalpy of formation: -91.5 kcal/mol
-Br- = Br-
- -llnl_gamma 3.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Br-
-# Enthalpy of formation: -29.04 kcal/mol
-Ca+2 = Ca+2
- -llnl_gamma 6.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ca+2
-# Enthalpy of formation: -129.8 kcal/mol
-Cd+2 = Cd+2
- -llnl_gamma 5.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Cd+2
-# Enthalpy of formation: -18.14 kcal/mol
-Ce+3 = Ce+3
- -llnl_gamma 9.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ce+3
-# Enthalpy of formation: -167.4 kcal/mol
-Cl- = Cl-
- -llnl_gamma 3.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Cl-
-# Enthalpy of formation: -39.933 kcal/mol
-Co+2 = Co+2
- -llnl_gamma 6.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Co+2
-# Enthalpy of formation: -13.9 kcal/mol
-CrO4-2 = CrO4-2
- -llnl_gamma 4.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction CrO4-2
-# Enthalpy of formation: -210.6 kcal/mol
-Cs+ = Cs+
- -llnl_gamma 2.5000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Cs+
-# Enthalpy of formation: -61.67 kcal/mol
-Cu+2 = Cu+2
- -llnl_gamma 6.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Cu+2
-# Enthalpy of formation: 15.7 kcal/mol
-Dy+3 = Dy+3
- -llnl_gamma 5.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Dy+3
-# Enthalpy of formation: -166.5 kcal/mol
-e- = e-
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction e-
-# Enthalpy of formation: -0 kJ/mol
-Er+3 = Er+3
- -llnl_gamma 5.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Er+3
-# Enthalpy of formation: -168.5 kcal/mol
-Ethylene = Ethylene
- -llnl_gamma 3.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ethylene
-# Enthalpy of formation: 8.57 kcal/mol
-Eu+3 = Eu+3
- -llnl_gamma 5.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Eu+3
-# Enthalpy of formation: -144.7 kcal/mol
-F- = F-
- -llnl_gamma 3.5000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction F-
-# Enthalpy of formation: -80.15 kcal/mol
-Fe+2 = Fe+2
- -llnl_gamma 6.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Fe+2
-# Enthalpy of formation: -22.05 kcal/mol
-Ga+3 = Ga+3
- -llnl_gamma 5.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ga+3
-# Enthalpy of formation: -50.6 kcal/mol
-Gd+3 = Gd+3
- -llnl_gamma 5.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Gd+3
-# Enthalpy of formation: -164.2 kcal/mol
-H+ = H+
- -llnl_gamma 9.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction H+
-# Enthalpy of formation: -0 kJ/mol
-He = He
- -llnl_gamma 3.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction He
-# Enthalpy of formation: -0.15 kcal/mol
-H2AsO4- = H2AsO4-
- -llnl_gamma 4.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction H2AsO4-
-# Enthalpy of formation: -217.39 kcal/mol
-HCO3- = HCO3-
- -llnl_gamma 4.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction HCO3-
-# Enthalpy of formation: -164.898 kcal/mol
-HPO4-2 = HPO4-2
- -llnl_gamma 4.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction HPO4-2
-# Enthalpy of formation: -308.815 kcal/mol
-Hf+4 = Hf+4
- log_k 0
- -delta_H 0 # Not possible to calculate enthalpy of reaction Hf+4
-# Enthalpy of formation: -0 kcal/mol
-Hg+2 = Hg+2
- -llnl_gamma 5.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Hg+2
-# Enthalpy of formation: 40.67 kcal/mol
-Ho+3 = Ho+3
- -llnl_gamma 5.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ho+3
-# Enthalpy of formation: -169 kcal/mol
-I- = I-
- -llnl_gamma 3.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction I-
-# Enthalpy of formation: -13.6 kcal/mol
-In+3 = In+3
- -llnl_gamma 9.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction In+3
-# Enthalpy of formation: -25 kcal/mol
-K+ = K+
- -llnl_gamma 3.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction K+
-# Enthalpy of formation: -60.27 kcal/mol
-Kr = Kr
- -llnl_gamma 3.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Kr
-# Enthalpy of formation: -3.65 kcal/mol
-La+3 = La+3
- -llnl_gamma 9.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction La+3
-# Enthalpy of formation: -169.6 kcal/mol
-Li+ = Li+
- -llnl_gamma 6.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Li+
-# Enthalpy of formation: -66.552 kcal/mol
-Lu+3 = Lu+3
- -llnl_gamma 5.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Lu+3
-# Enthalpy of formation: -167.9 kcal/mol
-Mg+2 = Mg+2
- -llnl_gamma 8.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Mg+2
-# Enthalpy of formation: -111.367 kcal/mol
-Mn+2 = Mn+2
- -llnl_gamma 6.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Mn+2
-# Enthalpy of formation: -52.724 kcal/mol
-MoO4-2 = MoO4-2
- -llnl_gamma 4.5000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction MoO4-2
-# Enthalpy of formation: -238.5 kcal/mol
-NH3 = NH3
- -llnl_gamma 3.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction NH3
-# Enthalpy of formation: -19.44 kcal/mol
-Na+ = Na+
- -llnl_gamma 4.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Na+
-# Enthalpy of formation: -57.433 kcal/mol
-Nd+3 = Nd+3
- -llnl_gamma 9.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Nd+3
-# Enthalpy of formation: -166.5 kcal/mol
-Ne = Ne
- -llnl_gamma 3.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ne
-# Enthalpy of formation: -0.87 kcal/mol
-Ni+2 = Ni+2
- -llnl_gamma 6.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ni+2
-# Enthalpy of formation: -12.9 kcal/mol
-Np+4 = Np+4
- -llnl_gamma 5.5000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Np+4
-# Enthalpy of formation: -556.001 kJ/mol
-H2O = H2O
- -llnl_gamma 3.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction H2O
-# Enthalpy of formation: -68.317 kcal/mol
-O_phthalate-2 = O_phthalate-2
- -llnl_gamma 4.0000
- log_k 0
- -delta_H 0 # Not possible to calculate enthalpy of reaction O_phthalate-2
-# Enthalpy of formation: -0 kcal/mol
-Pb+2 = Pb+2
- -llnl_gamma 4.5000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Pb+2
-# Enthalpy of formation: 0.22 kcal/mol
-Pd+2 = Pd+2
- -llnl_gamma 4.5000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Pd+2
-# Enthalpy of formation: 42.08 kcal/mol
-Pm+3 = Pm+3
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Pm+3
-# Enthalpy of formation: -688 kJ/mol
-Pr+3 = Pr+3
- -llnl_gamma 9.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Pr+3
-# Enthalpy of formation: -168.8 kcal/mol
-Pu+4 = Pu+4
- -llnl_gamma 5.5000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Pu+4
-# Enthalpy of formation: -535.893 kJ/mol
-Ra+2 = Ra+2
- -llnl_gamma 5.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ra+2
-# Enthalpy of formation: -126.1 kcal/mol
-Rb+ = Rb+
- -llnl_gamma 2.5000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Rb+
-# Enthalpy of formation: -60.02 kcal/mol
-ReO4- = ReO4-
- -llnl_gamma 4.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction ReO4-
-# Enthalpy of formation: -188.2 kcal/mol
-Rn = Rn
- -llnl_gamma 3.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Rn
-# Enthalpy of formation: -5 kcal/mol
-RuO4-2 = RuO4-2
- -llnl_gamma 4.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction RuO4-2
-# Enthalpy of formation: -457.075 kJ/mol
-SO4-2 = SO4-2
- -llnl_gamma 4.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction SO4-2
-# Enthalpy of formation: -217.4 kcal/mol
-Sb(OH)3 = Sb(OH)3
- -llnl_gamma 3.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Sb(OH)3
-# Enthalpy of formation: -773.789 kJ/mol
-Sc+3 = Sc+3
- -llnl_gamma 9.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Sc+3
-# Enthalpy of formation: -146.8 kcal/mol
-SeO3-2 = SeO3-2
- -llnl_gamma 4.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction SeO3-2
-# Enthalpy of formation: -121.7 kcal/mol
-SiO2 = SiO2
- -llnl_gamma 3.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction SiO2
-# Enthalpy of formation: -209.775 kcal/mol
-Sm+3 = Sm+3
- -llnl_gamma 9.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Sm+3
-# Enthalpy of formation: -165.2 kcal/mol
-Sn+2 = Sn+2
- -llnl_gamma 6.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Sn+2
-# Enthalpy of formation: -2.1 kcal/mol
-Sr+2 = Sr+2
- -llnl_gamma 5.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Sr+2
-# Enthalpy of formation: -131.67 kcal/mol
-Tb+3 = Tb+3
- -llnl_gamma 5.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Tb+3
-# Enthalpy of formation: -166.9 kcal/mol
-TcO4- = TcO4-
- -llnl_gamma 4.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction TcO4-
-# Enthalpy of formation: -716.269 kJ/mol
-Th+4 = Th+4
- -llnl_gamma 11.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Th+4
-# Enthalpy of formation: -183.8 kcal/mol
-Ti(OH)4 = Ti(OH)4
- -llnl_gamma 3.0000
- log_k 0
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ti(OH)4
-# Enthalpy of formation: -0 kcal/mol
-Tl+ = Tl+
- -llnl_gamma 2.5000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Tl+
-# Enthalpy of formation: 1.28 kcal/mol
-Tm+3 = Tm+3
- -llnl_gamma 5.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Tm+3
-# Enthalpy of formation: -168.5 kcal/mol
-UO2+2 = UO2+2
- -llnl_gamma 4.5000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction UO2+2
-# Enthalpy of formation: -1019 kJ/mol
-VO+2 = VO+2
- -llnl_gamma 4.5000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction VO+2
-# Enthalpy of formation: -116.3 kcal/mol
-WO4-2 = WO4-2
- -llnl_gamma 5.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction WO4-2
-# Enthalpy of formation: -257.1 kcal/mol
-Xe = Xe
- -llnl_gamma 3.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Xe
-# Enthalpy of formation: -4.51 kcal/mol
-Y+3 = Y+3
- -llnl_gamma 9.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Y+3
-# Enthalpy of formation: -170.9 kcal/mol
-Yb+3 = Yb+3
- -llnl_gamma 5.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Yb+3
-# Enthalpy of formation: -160.3 kcal/mol
-Zn+2 = Zn+2
- -llnl_gamma 6.0000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Zn+2
-# Enthalpy of formation: -36.66 kcal/mol
-Zr(OH)2+2 = Zr(OH)2+2
- -llnl_gamma 4.5000
- log_k 0
- -delta_H 0 kJ/mol # Calculated enthalpy of reaction Zr(OH)2+2
-# Enthalpy of formation: -260.717 kcal/mol
-
-2H2O = O2 + 4H+ + 4e-
- -CO2_llnl_gamma
- log_k -85.9951
- -delta_H 559.543 kJ/mol # Calculated enthalpy of reaction O2
-# Enthalpy of formation: -2.9 kcal/mol
- -analytic 38.0229 7.99407E-03 -2.7655e+004 -1.4506e+001 199838.45
-# Range: 0-300
-
- 1.0000 SO4-- + 1.0000 H+ = HS- +2.0000 O2
- -llnl_gamma 3.5
- log_k -138.3169
- -delta_H 869.226 kJ/mol # Calculated enthalpy of reaction HS-
-# Enthalpy of formation: -3.85 kcal/mol
- -analytic 2.6251e+001 3.9525e-002 -4.5443e+004 -1.1107e+001 3.1843e+005
-# -Range: 0-300
-
- .5000 O2 + 2.0000 HS- = S2-- + H2O
-#2 HS- = S2-- +2 H+ + 2e-
- -llnl_gamma 4.0
- log_k 33.2673
- -delta_H 0 # Not possible to calculate enthalpy of reaction S2-2
-# Enthalpy of formation: -0 kcal/mol
- -analytic 0.21730E+02 -0.12307E-02 0.10098E+05 -0.88813E+01 0.15757E+03
- -mass_balance S(-2)2
-# -Range: 0-300
-# -add_logk Log_K_O2 0.5
-
-2.0000 H+ + 2.0000 SO3-- = S2O3-- + O2 + H2O
- -llnl_gamma 4.0
- log_k -40.2906
- -delta_H 0 # Not possible to calculate enthalpy of reaction S2O3-2
-# Enthalpy of formation: -0 kcal/mol
- -analytic 0.77679E+02 0.65761E-01 -0.15438E+05 -0.34651E+02 -0.24092E+03
-# -Range: 0-300
-
- 1.0000 H+ + 1.0000 Ag+ + 0.2500 O2 = Ag++ +0.5000 H2O
- -llnl_gamma 4.5
- log_k -12.1244
- -delta_H 22.9764 kJ/mol # Calculated enthalpy of reaction Ag+2
-# Enthalpy of formation: 64.2 kcal/mol
- -analytic -4.7312e+001 -1.5239e-002 -4.1954e+002 1.6622e+001 -6.5328e+000
-# -Range: 0-300
-
- 1.0000 Am+++ + 0.5000 H2O = Am++ +1.0000 H+ +0.2500 O2
- -llnl_gamma 4.5
- log_k -60.3792
- -delta_H 401.953 kJ/mol # Calculated enthalpy of reaction Am+2
-# Enthalpy of formation: -354.633 kJ/mol
- -analytic 1.4922e+001 3.5993e-003 -2.0987e+004 -2.4146e+000 -3.2749e+002
-# -Range: 0-300
-
- 1.0000 H+ + 1.0000 Am+++ + 0.2500 O2 = Am++++ +0.5000 H2O
- -llnl_gamma 5.5
- log_k -22.7073
- -delta_H 70.8142 kJ/mol # Calculated enthalpy of reaction Am+4
-# Enthalpy of formation: -406 kJ/mol
- -analytic -1.7460e+001 -2.2336e-003 -3.5139e+003 2.9102e+000 -5.4826e+001
-# -Range: 0-300
-
- 1.0000 H2O + 1.0000 Am+++ + 0.5000 O2 = AmO2+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -15.384
- -delta_H 104.345 kJ/mol # Calculated enthalpy of reaction AmO2+
-# Enthalpy of formation: -804.26 kJ/mol
- -analytic 1.4110e+001 6.9728e-003 -4.2098e+003 -6.0936e+000 -2.1192e+005
-# -Range: 0-300
-
- 1.0000 Am+++ + 0.7500 O2 + 0.5000 H2O = AmO2++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -20.862
- -delta_H 117.959 kJ/mol # Calculated enthalpy of reaction AmO2+2
-# Enthalpy of formation: -650.76 kJ/mol
- -analytic 5.7163e+001 4.0278e-003 -8.4633e+003 -2.0550e+001 -1.3208e+002
-# -Range: 0-300
-
- 1.0000 H2AsO4- + 1.0000 H+ = AsH3 +2.0000 O2
- -llnl_gamma 3.0
- log_k -155.1907
- -delta_H 931.183 kJ/mol # Calculated enthalpy of reaction AsH3
-# Enthalpy of formation: 10.968 kcal/mol
- -analytic 2.8310e+002 9.6961e-002 -5.4830e+004 -1.1449e+002 -9.3119e+002
-# -Range: 0-200
-
- 2.0000 H+ + 1.0000 Au+ + 0.5000 O2 = Au+++ +1.0000 H2O
- -llnl_gamma 5.0
- log_k -4.3506
- -delta_H -73.2911 kJ/mol # Calculated enthalpy of reaction Au+3
-# Enthalpy of formation: 96.93 kcal/mol
- -analytic -6.8661e+001 -2.6838e-002 4.4549e+003 2.3178e+001 6.9534e+001
-# -Range: 0-300
-
- 1.0000 H2O + 1.0000 B(OH)3 = BH4- +2.0000 O2 +1.0000 H+
- -llnl_gamma 4.0
- log_k -237.1028
- -delta_H 1384.24 kJ/mol # Calculated enthalpy of reaction BH4-
-# Enthalpy of formation: 48.131 kJ/mol
- -analytic -7.4930e+001 -7.2794e-003 -6.9168e+004 2.9105e+001 -1.0793e+003
-# -Range: 0-300
-
- 3.0000 Br- + 2.0000 H+ + 0.5000 O2 = Br3- +1.0000 H2O
- -llnl_gamma 4.0
- log_k +7.0696
- -delta_H -45.6767 kJ/mol # Calculated enthalpy of reaction Br3-
-# Enthalpy of formation: -31.17 kcal/mol
- -analytic 1.4899e+002 6.4017e-002 -3.3831e+002 -6.4596e+001 -5.3232e+000
-# -Range: 0-300
-
- 1.0000 Br- + 0.5000 O2 = BrO-
- -llnl_gamma 4.0
- log_k -10.9167
- -delta_H 33.4302 kJ/mol # Calculated enthalpy of reaction BrO-
-# Enthalpy of formation: -22.5 kcal/mol
- -analytic 5.4335e+001 1.9509e-003 -4.2860e+003 -2.0799e+001 -6.6896e+001
-# -Range: 0-300
-
- 1.5000 O2 + 1.0000 Br- = BrO3-
- -llnl_gamma 3.5
- log_k -17.1443
- -delta_H 72.6342 kJ/mol # Calculated enthalpy of reaction BrO3-
-# Enthalpy of formation: -16.03 kcal/mol
- -analytic 3.7156e+001 -4.7855e-003 -4.6208e+003 -1.4136e+001 -2.1385e+005
-# -Range: 0-300
-
- 2.0000 O2 + 1.0000 Br- = BrO4-
- -llnl_gamma 4.0
- log_k -33.104
- -delta_H 158.741 kJ/mol # Calculated enthalpy of reaction BrO4-
-# Enthalpy of formation: 3.1 kcal/mol
- -analytic 8.1393e+001 -2.3409e-003 -1.2290e+004 -2.9336e+001 -1.9180e+002
-# -Range: 0-300
-
-# 1.0000 NH3 + 1.0000 HCO3- = CN- +2.0000 H2O +0.5000 O2
-# -llnl_gamma 3.0
-# log_k -56.0505
-# -delta_H 344.151 kJ/mol # Calculated enthalpy of reaction CN-
-# # Enthalpy of formation: 36 kcal/mol
-# -analytic -1.1174e+001 3.8167e-003 -1.7063e+004 4.5349e+000 -2.6625e+002
-# # -Range: 0-300
-
-Cyanide- = Cyanide-
- log_k 0
-
- H+ + HCO3- + H2O = CH4 + 2.0000 O2
- -llnl_gamma 3.0
- log_k -144.1412
- -delta_H 863.599 kJ/mol # Calculated enthalpy of reaction CH4
-# Enthalpy of formation: -21.01 kcal/mol
- -analytic -0.41698E+02 0.36584E-01 -0.40675E+05 0.93479E+01 -0.63468E+03
-# -Range: 0-300
-
- 2.0000 H+ + 2.0000 HCO3- + H2O = C2H6 + 3.5000 O2
- -llnl_gamma 3.0
- log_k -228.6072
- -delta_H 0 # Not possible to calculate enthalpy of reaction C2H6
-# Enthalpy of formation: -0 kcal/mol
- -analytic -0.10777E+02 0.72105E-01 -0.67489E+05 -0.13915E+02 -0.10531E+04
-# -Range: 0-300
-
- 2.000 H+ + 2.0000 HCO3- = C2H4 + 3.0000 O2
- -llnl_gamma 3.0
- log_k -254.5034
- -delta_H 1446.6 kJ/mol # Calculated enthalpy of reaction C2H4
-# Enthalpy of formation: 24.65 kcal/mol
- -analytic -0.30329E+02 0.71187E-01 -0.73140E+05 0.00000E+00 0.00000E+00
-# -Range: 0-300
-
- 1.0000 HCO3- + 1.0000 H+ = CO +1.0000 H2O +0.5000 O2
- -llnl_gamma 3.0
- log_k -41.7002
- -delta_H 277.069 kJ/mol # Calculated enthalpy of reaction CO
-# Enthalpy of formation: -28.91 kcal/mol
- -analytic 1.0028e+002 4.6877e-002 -1.8062e+004 -4.0263e+001 3.8031e+005
-# -Range: 0-300
-
- 1.0000 Ce+++ + 0.5000 H2O = Ce++ +1.0000 H+ +0.2500 O2
- -llnl_gamma 4.5
- log_k -83.6754
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ce+2
-# Enthalpy of formation: -0 kcal/mol
-
- 1.0000 H+ + 1.0000 Ce+++ + 0.2500 O2 = Ce++++ +0.5000 H2O
- -llnl_gamma 5.5
- log_k -7.9154
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ce+4
-# Enthalpy of formation: -0 kcal/mol
-
- 1.0000 Cl- + 0.5000 O2 = ClO-
- -llnl_gamma 4.0
- log_k -15.1014
- -delta_H 66.0361 kJ/mol # Calculated enthalpy of reaction ClO-
-# Enthalpy of formation: -25.6 kcal/mol
- -analytic 6.1314e+001 3.4812e-003 -6.0952e+003 -2.3043e+001 -9.5128e+001
-# -Range: 0-300
-
- 1.0000 O2 + 1.0000 Cl- = ClO2-
- -llnl_gamma 4.0
- log_k -23.108
- -delta_H 112.688 kJ/mol # Calculated enthalpy of reaction ClO2-
-# Enthalpy of formation: -15.9 kcal/mol
- -analytic 3.3638e+000 -6.1675e-003 -4.9726e+003 -2.0467e+000 -2.5769e+005
-# -Range: 0-300
-
- 1.5000 O2 + 1.0000 Cl- = ClO3-
- -llnl_gamma 3.5
- log_k -17.2608
- -delta_H 81.3077 kJ/mol # Calculated enthalpy of reaction ClO3-
-# Enthalpy of formation: -24.85 kcal/mol
- -analytic 2.8852e+001 -4.8281e-003 -4.6779e+003 -1.0772e+001 -2.0783e+005
-# -Range: 0-300
-
- 2.0000 O2 + 1.0000 Cl- = ClO4-
- -llnl_gamma 3.5
- log_k -15.7091
- -delta_H 62.0194 kJ/mol # Calculated enthalpy of reaction ClO4-
-# Enthalpy of formation: -30.91 kcal/mol
- -analytic 7.0280e+001 -6.8927e-005 -5.5690e+003 -2.6446e+001 -1.6596e+005
-# -Range: 0-300
-
- 1.0000 H+ + 1.0000 Co++ + 0.2500 O2 = Co+++ +0.5000 H2O
- -llnl_gamma 5.0
- log_k -11.4845
- -delta_H 10.3198 kJ/mol # Calculated enthalpy of reaction Co+3
-# Enthalpy of formation: 22 kcal/mol
- -analytic -2.2827e+001 -1.2222e-002 -7.2117e+002 7.0306e+000 -1.1247e+001
-# -Range: 0-300
-
- 4.0000 H+ + 1.0000 CrO4-- = Cr++ +2.0000 H2O +1.0000 O2
- -llnl_gamma 4.5
- log_k -21.6373
- -delta_H 153.829 kJ/mol # Calculated enthalpy of reaction Cr+2
-# Enthalpy of formation: -34.3 kcal/mol
- -analytic 6.9003e+001 6.2884e-002 -6.9847e+003 -3.4720e+001 -1.0901e+002
-# -Range: 0-300
-
- 5.0000 H+ + 1.0000 CrO4-- = Cr+++ +2.5000 H2O +0.7500 O2
- -llnl_gamma 9.0
- log_k +8.3842
- -delta_H -81.0336 kJ/mol # Calculated enthalpy of reaction Cr+3
-# Enthalpy of formation: -57 kcal/mol
- -analytic 5.1963e+001 6.0932e-002 5.4256e+003 -3.2290e+001 8.4645e+001
-# -Range: 0-300
-
- 0.5000 H2O + 1.0000 CrO4-- = CrO4--- +1.0000 H+ +0.2500 O2
- -llnl_gamma 4.0
- log_k -19.7709
- -delta_H 0 # Not possible to calculate enthalpy of reaction CrO4-3
-# Enthalpy of formation: -0 kcal/mol
-
- 1.0000 Cu++ + 0.5000 H2O = Cu+ +1.0000 H+ +0.2500 O2
- -llnl_gamma 4.0
- log_k -18.7704
- -delta_H 145.877 kJ/mol # Calculated enthalpy of reaction Cu+
-# Enthalpy of formation: 17.132 kcal/mol
- -analytic 3.7909e+001 1.3731e-002 -8.1506e+003 -1.3508e+001 -1.2719e+002
-# -Range: 0-300
-
- 1.0000 Dy+++ + 0.5000 H2O = Dy++ +1.0000 H+ +0.2500 O2
- -llnl_gamma 4.5
- log_k -61.0754
- -delta_H 0 # Not possible to calculate enthalpy of reaction Dy+2
-# Enthalpy of formation: -0 kcal/mol
-
- 1.0000 Er+++ + 0.5000 H2O = Er++ +1.0000 H+ +0.2500 O2
- -llnl_gamma 4.5
- log_k -70.1754
- -delta_H 0 # Not possible to calculate enthalpy of reaction Er+2
-# Enthalpy of formation: -0 kcal/mol
-
- 1.0000 Eu+++ + 0.5000 H2O = Eu++ +1.0000 H+ +0.2500 O2
- -llnl_gamma 4.5
- log_k -27.5115
- -delta_H 217.708 kJ/mol # Calculated enthalpy of reaction Eu+2
-# Enthalpy of formation: -126.1 kcal/mol
- -analytic 3.0300e+001 1.4126e-002 -1.2319e+004 -9.0585e+000 1.5289e+005
-# -Range: 0-300
-
- 1.0000 H+ + 1.0000 Fe++ + 0.2500 O2 = Fe+++ +0.5000 H2O
- -llnl_gamma 9.0
- log_k +8.4899
- -delta_H -97.209 kJ/mol # Calculated enthalpy of reaction Fe+3
-# Enthalpy of formation: -11.85 kcal/mol
- -analytic -1.7808e+001 -1.1753e-002 4.7609e+003 5.5866e+000 7.4295e+001
-# -Range: 0-300
-
- 1.0000 Gd+++ + 0.5000 H2O = Gd++ +1.0000 H+ +0.2500 O2
- -llnl_gamma 4.5
- log_k -84.6754
- -delta_H 0 # Not possible to calculate enthalpy of reaction Gd+2
-# Enthalpy of formation: -0 kcal/mol
-
- 1.0000 H2O = H2 +0.5000 O2
- -CO2_llnl_gamma
- log_k -46.1066
- -delta_H 275.588 kJ/mol # Calculated enthalpy of reaction H2
-# Enthalpy of formation: -1 kcal/mol
- -analytic 6.6835e+001 1.7172e-002 -1.8849e+004 -2.4092e+001 4.2501e+005
-# -Range: 0-300
-
- 1.0000 H2AsO4- = H2AsO3- +0.5000 O2
- -llnl_gamma 4.0
- log_k -30.5349
- -delta_H 188.698 kJ/mol # Calculated enthalpy of reaction H2AsO3-
-# Enthalpy of formation: -170.84 kcal/mol
- -analytic 7.4245e+001 1.4885e-002 -1.4218e+004 -2.6403e+001 3.3822e+005
-# -Range: 0-300
-
- 1.0000 SO4-- + 1.0000 H+ + 0.5000 O2 = HSO5-
- -llnl_gamma 4.0
- log_k -17.2865
- -delta_H 140.038 kJ/mol # Calculated enthalpy of reaction HSO5-
-# Enthalpy of formation: -185.38 kcal/mol
- -analytic 5.9944e+001 3.0904e-002 -7.7494e+003 -2.4420e+001 -1.2094e+002
-# -Range: 0-300
-
- 1.0000 SeO3-- + 1.0000 H+ = HSe- +1.5000 O2
- -llnl_gamma 4.0
- log_k -76.8418
- -delta_H 506.892 kJ/mol # Calculated enthalpy of reaction HSe-
-# Enthalpy of formation: 3.8 kcal/mol
- -analytic 4.7105e+001 4.3116e-002 -2.6949e+004 -1.9895e+001 2.5305e+005
-# -Range: 0-300
-
- 2.0000 Hg++ + 1.0000 H2O = Hg2++ +2.0000 H+ +0.5000 O2
- -llnl_gamma 4.0
- log_k -12.208
- -delta_H 106.261 kJ/mol # Calculated enthalpy of reaction Hg2+2
-# Enthalpy of formation: 39.87 kcal/mol
- -analytic 5.5010e+001 1.9050e-002 -4.7967e+003 -2.2952e+001 -7.4864e+001
-# -Range: 0-300
-
- 1.0000 Ho+++ + 0.5000 H2O = Ho++ +1.0000 H+ +0.2500 O2
- -llnl_gamma 4.5
- log_k -67.3754
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ho+2
-# Enthalpy of formation: -0 kcal/mol
-
- 3.0000 I- + 2.0000 H+ + 0.5000 O2 = I3- +1.0000 H2O
- -llnl_gamma 4.0
- log_k +24.7278
- -delta_H -160.528 kJ/mol # Calculated enthalpy of reaction I3-
-# Enthalpy of formation: -12.3 kcal/mol
- -analytic 1.4788e+002 6.6206e-002 5.7407e+003 -6.5517e+001 8.9535e+001
-# -Range: 0-300
-
- 1.0000 I- + 0.5000 O2 = IO-
- -llnl_gamma 4.0
- log_k -0.9038
- -delta_H -44.5596 kJ/mol # Calculated enthalpy of reaction IO-
-# Enthalpy of formation: -25.7 kcal/mol
- -analytic 2.7568e+000 -5.5671e-003 3.2484e+003 -3.9065e+000 -2.8800e+005
-# -Range: 0-300
-
- 1.5000 O2 + 1.0000 I- = IO3-
- -llnl_gamma 4.0
- log_k +17.6809
- -delta_H -146.231 kJ/mol # Calculated enthalpy of reaction IO3-
-# Enthalpy of formation: -52.9 kcal/mol
- -analytic -2.2971e+001 -1.3478e-002 9.5977e+003 6.6010e+000 -3.4371e+005
-# -Range: 0-300
-
- 2.0000 O2 + 1.0000 I- = IO4-
- -llnl_gamma 3.5
- log_k +6.9621
- -delta_H -70.2912 kJ/mol # Calculated enthalpy of reaction IO4-
-# Enthalpy of formation: -36.2 kcal/mol
- -analytic 2.1232e+001 -7.8107e-003 3.5803e+003 -8.5272e+000 -2.5422e+005
-# -Range: 0-300
-
- 1.0000 La+++ + 0.5000 H2O = La++ +1.0000 H+ +0.2500 O2
- -llnl_gamma 4.5
- log_k -72.4754
- -delta_H 0 # Not possible to calculate enthalpy of reaction La+2
-# Enthalpy of formation: -0 kcal/mol
-
- 1.0000 Mn++ + 1.0000 H+ + 0.2500 O2 = Mn+++ +0.5000 H2O
- -llnl_gamma 5.0
- log_k -4.0811
- -delta_H -65.2892 kJ/mol # Calculated enthalpy of reaction Mn+3
-# Enthalpy of formation: -34.895 kcal/mol
- -analytic 3.8873e+001 1.7458e-002 2.0757e+003 -2.2274e+001 3.2378e+001
-# -Range: 0-300
-
- 2.0000 H2O + 1.0000 O2 + 1.0000 Mn++ = MnO4-- +4.0000 H+
- -llnl_gamma 4.0
- log_k -32.4146
- -delta_H 151.703 kJ/mol # Calculated enthalpy of reaction MnO4-2
-# Enthalpy of formation: -156 kcal/mol
- -analytic -1.0407e+001 -4.6464e-002 -1.0515e+004 1.0943e+001 -1.6408e+002
-# -Range: 0-300
-
- 2.0000 NH3 + 1.5000 O2 = N2 +3.0000 H2O
- -llnl_gamma 3.0
- log_k +116.4609
- -delta_H -687.08 kJ/mol # Calculated enthalpy of reaction N2
-# Enthalpy of formation: -2.495 kcal/mol
- -analytic -8.2621e+001 -1.4671e-002 4.0068e+004 2.9090e+001 -2.5924e+005
-# -Range: 0-300
-
- 3.0000 NH3 + 2.0000 O2 = N3- +4.0000 H2O +1.0000 H+
- -llnl_gamma 4.0
- log_k +96.9680
- -delta_H -599.935 kJ/mol # Calculated enthalpy of reaction N3-
-# Enthalpy of formation: 275.14 kJ/mol
- -analytic -9.1080e+001 -4.0817e-002 3.6350e+004 3.4484e+001 -6.2678e+005
-# -Range: 0-300
-
- 1.5000 O2 + 1.0000 NH3 = NO2- +1.0000 H+ +1.0000 H2O
- -llnl_gamma 3.0
- log_k +46.8653
- -delta_H -290.901 kJ/mol # Calculated enthalpy of reaction NO2-
-# Enthalpy of formation: -25 kcal/mol
- -analytic -1.7011e+001 -3.3459e-002 1.3999e+004 1.1078e+001 -4.8255e+004
-# -Range: 0-300
-
- 2.0000 O2 + 1.0000 NH3 = NO3- +1.0000 H+ +1.0000 H2O
- -llnl_gamma 3.0
- log_k +62.1001
- -delta_H -387.045 kJ/mol # Calculated enthalpy of reaction NO3-
-# Enthalpy of formation: -49.429 kcal/mol
- -analytic -3.9468e+001 -3.9697e-002 2.0614e+004 1.8872e+001 -2.1917e+005
-# -Range: 0-300
-
- 1.0000 Nd+++ + 0.5000 H2O = Nd++ +1.0000 H+ +0.2500 O2
- -llnl_gamma 4.5
- log_k -64.3754
- -delta_H 0 # Not possible to calculate enthalpy of reaction Nd+2
-# Enthalpy of formation: -0 kcal/mol
-
- 1.0000 Np++++ + 0.5000 H2O = Np+++ +1.0000 H+ +0.2500 O2
- -llnl_gamma 5.0
- log_k -19.0131
- -delta_H 168.787 kJ/mol # Calculated enthalpy of reaction Np+3
-# Enthalpy of formation: -527.1 kJ/mol
- -analytic 1.6615e+001 2.4645e-003 -8.9343e+003 -2.5829e+000 -1.3942e+002
-# -Range: 0-300
-
- 1.5000 H2O + 1.0000 Np++++ + 0.2500 O2 = NpO2+ +3.0000 H+
- -llnl_gamma 4.0
- log_k +10.5928
- -delta_H 9.80089 kJ/mol # Calculated enthalpy of reaction NpO2+
-# Enthalpy of formation: -977.991 kJ/mol
- -analytic 1.2566e+001 7.5467e-003 1.6921e+003 -2.7125e+000 -2.8381e+005
-# -Range: 0-300
-
- 1.0000 Np++++ + 1.0000 H2O + 0.5000 O2 = NpO2++ +2.0000 H+
- -llnl_gamma 4.5
- log_k +11.2107
- -delta_H -12.5719 kJ/mol # Calculated enthalpy of reaction NpO2+2
-# Enthalpy of formation: -860.478 kJ/mol
- -analytic 2.5510e+001 1.1973e-003 1.2753e+003 -6.7082e+000 -2.0792e+005
-# -Range: 0-300
-
- 2.0000 H+ + 1.0000 Pb++ + 0.5000 O2 = Pb++++ +1.0000 H2O
- -llnl_gamma 5.5
- log_k -14.1802
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pb+4
-# Enthalpy of formation: -0 kcal/mol
-
- 1.0000 Pm+++ + 0.5000 H2O = Pm++ +1.0000 H+ +0.2500 O2
- -llnl_gamma 4.5
- log_k -65.2754
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pm+2
-# Enthalpy of formation: -0 kcal/mol
-
- 1.0000 Pr+++ + 0.5000 H2O = Pr++ +1.0000 H+ +0.2500 O2
- -llnl_gamma 4.5
- log_k -79.9754
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pr+2
-# Enthalpy of formation: -0 kcal/mol
-
- 1.0000 Pu++++ + 0.5000 H2O = Pu+++ +1.0000 H+ +0.2500 O2
- -llnl_gamma 5.0
- log_k -4.5071
- -delta_H 84.2268 kJ/mol # Calculated enthalpy of reaction Pu+3
-# Enthalpy of formation: -591.552 kJ/mol
- -analytic 2.0655e+001 3.2688e-003 -4.7434e+003 -4.1907e+000 1.2944e+004
-# -Range: 0-300
-
- 1.5000 H2O + 1.0000 Pu++++ + 0.2500 O2 = PuO2+ +3.0000 H+
- -llnl_gamma 4.0
- log_k +2.9369
- -delta_H 53.5009 kJ/mol # Calculated enthalpy of reaction PuO2+
-# Enthalpy of formation: -914.183 kJ/mol
- -analytic -2.0464e+001 2.8265e-003 1.2131e+003 9.2156e+000 -3.8400e+005
-# -Range: 0-300
-
- 1.0000 Pu++++ + 1.0000 H2O + 0.5000 O2 = PuO2++ +2.0000 H+
- -llnl_gamma 4.5
- log_k +8.1273
- -delta_H 6.22013 kJ/mol # Calculated enthalpy of reaction PuO2+2
-# Enthalpy of formation: -821.578 kJ/mol
- -analytic 3.5219e+001 2.5202e-003 -2.4760e+002 -1.0120e+001 -1.7569e+005
-# -Range: 0-300
-
- 4.0000 H+ + 1.0000 RuO4-- = Ru(OH)2++ +1.0000 H2O +0.5000 O2
- -llnl_gamma 4.5
- log_k +25.2470
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2+2
-# Enthalpy of formation: -0 kcal/mol
-
- 4.0000 H+ + 1.0000 RuO4-- = Ru++ +2.0000 H2O +1.0000 O2
- -llnl_gamma 4.5
- log_k +0.1610
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ru+2
-# Enthalpy of formation: -0 kcal/mol
-
- 5.0000 H+ + 1.0000 RuO4-- = Ru+++ +2.5000 H2O +0.7500 O2
- -llnl_gamma 5.0
- log_k +17.6149
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ru+3
-# Enthalpy of formation: -0 kcal/mol
-
- 2.0000 H+ + 1.0000 RuO4-- + 0.5000 O2 = RuO4 +1.0000 H2O
- -llnl_gamma 3.0
- log_k +16.2672
- -delta_H -60.8385 kJ/mol # Calculated enthalpy of reaction RuO4
-# Enthalpy of formation: -238.142 kJ/mol
- -analytic 1.9964e+002 6.8286e-002 -1.2020e+003 -8.0706e+001 -2.0481e+001
-# -Range: 0-200
-
- 1.0000 RuO4-- + 1.0000 H+ + 0.2500 O2 = RuO4- +0.5000 H2O
- -llnl_gamma 4.0
- log_k +11.6024
- -delta_H -16.1998 kJ/mol # Calculated enthalpy of reaction RuO4-
-# Enthalpy of formation: -333.389 kJ/mol
- -analytic -1.9653e+000 8.8623e-003 1.8588e+003 1.8998e+000 2.9005e+001
-# -Range: 0-300
-
- 2.0000 H+ + 2.0000 SO3-- = S2O4-- + .500 O2 + H2O
- -llnl_gamma 5.0
-# log_k -25.2075
- log_k -25.2076
- -delta_H 0 # Not possible to calculate enthalpy of reaction S2O4-2
-# Enthalpy of formation: -0 kcal/mol
-# -analytic -0.15158E+05 -0.31356E+01 0.47072E+06 0.58544E+04 0.73497E+04
- -analytic -2.3172e2 2.0393e-3 -7.1011e0 8.3239e1 9.4155e-1
-# changed 3/23/04, corrected to supcrt temperature dependence, GMA
-# -Range: 0-300
-
-# 2.0000 SO3-- + .500 O2 + 2.0000 H+ = S2O6-- + H2O
-# H2O = .5 O2 + 2H+ + 2e-
-2SO3-- = S2O6-- + 2e-
- -llnl_gamma 4.0
- log_k 41.8289
- -delta_H 0 # Not possible to calculate enthalpy of reaction S2O6-2
-# Enthalpy of formation: -0 kcal/mol
- -analytic 0.14458E+03 0.61449E-01 0.71877E+04 -0.58657E+02 0.11211E+03
-# -Range: 0-300
- -add_logk Log_K_O2 0.5
-
-
- 2.0000 SO3-- + 1.500 O2 + 2.0000 H+ = S2O8-- + H2O
- -llnl_gamma 4.0
- log_k 70.7489
- -delta_H 0 # Not possible to calculate enthalpy of reaction S2O8-2
-# Enthalpy of formation: -0 kcal/mol
- -analytic 0.18394E+03 0.60414E-01 0.13864E+05 -0.71804E+02 0.21628E+03
-# -Range: 0-300
-
-O2 + H+ + 3.0000 HS- = S3-- + 2.0000 H2O
-# 2H2O = O2 + 4H+ + 4e-
-#3HS- = S3-- + 3H+ + 4e-
- -llnl_gamma 4.0
- log_k 79.3915
- -delta_H 0 # Not possible to calculate enthalpy of reaction S3-2
-# Enthalpy of formation: -0 kcal/mol
- -analytic -0.51626E+02 0.70208E-02 0.31797E+05 0.11927E+02 -0.64249E+06
- -mass_balance S(-2)3
-# -Range: 0-300
-# -add_logk Log_K_O2 1.0
-
-# 3.0000 SO3-- + 4.0000 H+ = S3O6-- + .500 O2 + 2.0000 H2O
-# .5 O2 + 2H+ + 2e- = H2O
-3SO3-- + 6 H+ + 2e- = S3O6-- + 3H2O
- -llnl_gamma 4.0
- log_k -6.2316
- -delta_H 0 # Not possible to calculate enthalpy of reaction S3O6-2
-# Enthalpy of formation: -0 kcal/mol
- -analytic 0.23664E+03 0.12702E+00 -0.10110E+05 -0.99715E+02 -0.15783E+03
-# -Range: 0-300
- -add_logk Log_K_O2 -0.5
-
-1.5000 O2 + 2.0000 H+ + 4.0000 HS- = S4-- + 3.0000 H2O
-#4 HS- = S4-- + 4H+ + 6e-
- -llnl_gamma 4.0
- log_k 125.2958
- -delta_H 0 # Not possible to calculate enthalpy of reaction S4-2
-# Enthalpy of formation: -0 kcal/mol
- -analytic 0.20875E+03 0.58133E-01 0.33278E+05 -0.85833E+02 0.51921E+03
- -mass_balance S(-2)4
-# -Range: 0-300
-# -add_logk Log_K_O2 1.5
-
-# 4.0000 SO3-- + 6.0000 H+ = S4O6-- + 1.500 O2 + 3.0000 H2O
-4 SO3-- + 12 H+ + 6e- = S4O6-- + 6H2O
- -llnl_gamma 4.0
- log_k -38.3859
- -delta_H 0 # Not possible to calculate enthalpy of reaction S4O6-2
-# Enthalpy of formation: -0 kcal/mol
- -analytic 0.32239E+03 0.19555E+00 -0.23617E+05 -0.13729E+03 -0.36862E+03
-# -Range: 0-300
- -add_logk Log_K_O2 -1.5
-
-2.0000 O2 + 3.0000 H+ + 5.0000 HS- = S5-- + 4.0000 H2O
-#5 HS- = S5-- + 5H+ + 8e-
- -llnl_gamma 4.0
- log_k 170.9802
- -delta_H 0 # Not possible to calculate enthalpy of reaction S5-2
-# Enthalpy of formation: -0 kcal/mol
- -analytic 0.30329E+03 0.88033E-01 0.44739E+05 -0.12471E+03 0.69803E+03
- -mass_balance S(-2)5
-# -Range: 0-300
-# -add_logk Log_K_O2 2
-
-# 5.0000 SO3-- + 8.0000 H+ = S5O6-- + 2.5000 O2 + 4.0000 H2O
-# 2.5O2 + 10 H+ + 10e- = 5H2O
-5SO3-- + 18H+ + 10e- = S5O6-- + 9H2O
- -llnl_gamma 4.0
- log_k -99.4206
- -delta_H 0 # Not possible to calculate enthalpy of reaction S5O6-2
-# Enthalpy of formation: -0 kcal/mol
- -analytic 0.42074E+03 0.25833E+00 -0.43878E+05 -0.18178E+03 -0.68480E+03
-# -Range: 0-300
- -add_logk Log_K_O2 -2.5
-
-# 1.0000 H+ + HCO3- + HS- + NH3 = SCN- + 3.0000 H2O
-# -llnl_gamma 3.5
-# log_k 3.0070
-# -delta_H 0 # Not possible to calculate enthalpy of reaction SCN-
-## Enthalpy of formation: -0 kcal/mol
-# -analytic 0.16539E+03 0.49623E-01 -0.44624E+04 -0.65544E+02 -0.69680E+02
-## -Range: 0-300
-
-Thiocyanate- = Thiocyanate-
- log_k 0.0
-
- 1.0000 SO4-- = SO3-- +0.5000 O2
- -llnl_gamma 4.5
- log_k -46.6244
- -delta_H 267.985 kJ/mol # Calculated enthalpy of reaction SO3-2
-# Enthalpy of formation: -151.9 kcal/mol
- -analytic -1.3771e+001 6.5102e-004 -1.3330e+004 4.7164e+000 -2.0800e+002
-# -Range: 0-300
-
-1.0000 HSe- = Se-- + 1.0000 H+
- -llnl_gamma 4.0
- log_k -14.9534
- -delta_H 0 # Not possible to calculate enthalpy of reaction Se-2
-# Enthalpy of formation: -0 kcal/mol
- -analytic 1.0244e+002 3.1346e-002 -5.4190e+003 -4.3871e+001 -8.4589e+001
-# -Range: 0-300
-
- 1.0000 SeO3-- + 0.5000 O2 = SeO4--
- -llnl_gamma 4.0
- log_k +13.9836
- -delta_H -83.8892 kJ/mol # Calculated enthalpy of reaction SeO4-2
-# Enthalpy of formation: -143.2 kcal/mol
- -analytic -7.2314e+001 -1.3657e-002 8.6969e+003 2.6182e+001 -3.1897e+005
-# -Range: 0-300
-
- 1.0000 Sm+++ + 0.5000 H2O = Sm++ +1.0000 H+ +0.2500 O2
- -llnl_gamma 4.5
- log_k -47.9624
- -delta_H 326.911 kJ/mol # Calculated enthalpy of reaction Sm+2
-# Enthalpy of formation: -120.5 kcal/mol
- -analytic -1.0217e+001 7.7548e-003 -1.6285e+004 5.4711e+000 9.1931e+004
-# -Range: 0-300
-
- 2.0000 H+ + 1.0000 Sn++ + 0.5000 O2 = Sn++++ +1.0000 H2O
- -llnl_gamma 11.0
- log_k +37.7020
- -delta_H -240.739 kJ/mol # Calculated enthalpy of reaction Sn+4
-# Enthalpy of formation: 7.229 kcal/mol
- -analytic 3.2053e+001 -9.2307e-003 1.0378e+004 -1.0666e+001 1.6193e+002
-# -Range: 0-300
-
- 1.0000 Tb+++ + 0.5000 H2O = Tb++ +1.0000 H+ +0.2500 O2
- -llnl_gamma 4.5
- log_k -78.7754
- -delta_H 0 # Not possible to calculate enthalpy of reaction Tb+2
-# Enthalpy of formation: -0 kcal/mol
-
- 4.0000 H+ + 1.0000 TcO4- = Tc+++ +2.0000 H2O +1.0000 O2
- -llnl_gamma 5.0
- log_k -47.614
- -delta_H 0 # Not possible to calculate enthalpy of reaction Tc+3
-# Enthalpy of formation: -0 kcal/mol
-
- 3.0000 H+ + 1.0000 TcO4- = TcO++ +1.5000 H2O +0.7500 O2
- -llnl_gamma 4.5
- log_k -31.5059
- -delta_H 0 # Not possible to calculate enthalpy of reaction TcO+2
-# Enthalpy of formation: -0 kcal/mol
-
- 1.0000 TcO4- + 0.5000 H2O = TcO4-- +1.0000 H+ +0.2500 O2
- -llnl_gamma 4.0
- log_k -31.8197
- -delta_H 0 # Not possible to calculate enthalpy of reaction TcO4-2
-# Enthalpy of formation: -0 kcal/mol
-
- 1.0000 TcO4- + 1.0000 H2O = TcO4--- +2.0000 H+ +0.5000 O2
- -llnl_gamma 4.0
- log_k -63.2889
- -delta_H 0 # Not possible to calculate enthalpy of reaction TcO4-3
-# Enthalpy of formation: -0 kcal/mol
-
- 2.0000 H+ + 1.0000 Tl+ + 0.5000 O2 = Tl+++ +1.0000 H2O
- -llnl_gamma 5.0
- log_k -0.2751
- -delta_H -88.479 kJ/mol # Calculated enthalpy of reaction Tl+3
-# Enthalpy of formation: 47 kcal/mol
- -analytic -6.7978e+001 -2.6430e-002 5.3106e+003 2.3340e+001 8.2887e+001
-# -Range: 0-300
-
- 1.0000 Tm+++ + 0.5000 H2O = Tm++ +1.0000 H+ +0.2500 O2
- -llnl_gamma 4.5
- log_k -58.3754
- -delta_H 0 # Not possible to calculate enthalpy of reaction Tm+2
-# Enthalpy of formation: -0 kcal/mol
-
- 1.0000 UO2++ + 1.0000 H+ = U+++ +0.7500 O2 +0.5000 H2O
- -llnl_gamma 5.0
- log_k -64.8028
- -delta_H 377.881 kJ/mol # Calculated enthalpy of reaction U+3
-# Enthalpy of formation: -489.1 kJ/mol
- -analytic 2.5133e+001 6.4088e-003 -2.2542e+004 -8.1423e+000 3.4793e+005
-# -Range: 0-300
-
- 2.0000 H+ + 1.0000 UO2++ = U++++ +1.0000 H2O +0.5000 O2
- -llnl_gamma 5.5
- log_k -33.9491
- -delta_H 135.895 kJ/mol # Calculated enthalpy of reaction U+4
-# Enthalpy of formation: -591.2 kJ/mol
- -analytic 4.4837e+001 1.0129e-002 -1.1787e+004 -1.9194e+001 4.6436e+005
-# -Range: 0-300
-
- 1.0000 UO2++ + 0.5000 H2O = UO2+ +1.0000 H+ +0.2500 O2
- -llnl_gamma 4.0
- log_k -20.0169
- -delta_H 133.759 kJ/mol # Calculated enthalpy of reaction UO2+
-# Enthalpy of formation: -1025.13 kJ/mol
- -analytic 8.0480e+000 9.5845e-003 -6.5994e+003 -3.5515e+000 -1.0298e+002
-# -Range: 0-300
-
- 1.0000 VO++ + 1.0000 H+ = V+++ +0.5000 H2O +0.2500 O2
- -llnl_gamma 5.0
- log_k -15.7191
- -delta_H 79.6069 kJ/mol # Calculated enthalpy of reaction V+3
-# Enthalpy of formation: -62.39 kcal/mol
- -analytic 1.6167e+001 1.1963e-002 -4.2112e+003 -8.6126e+000 -6.5717e+001
-# -Range: 0-300
-
- 1.0000 VO++ + 0.5000 H2O + 0.2500 O2 = VO2+ +1.0000 H+
- -llnl_gamma 4.0
- log_k +4.5774
- -delta_H -17.2234 kJ/mol # Calculated enthalpy of reaction VO2+
-# Enthalpy of formation: -155.3 kcal/mol
- -analytic 1.9732e+000 5.3936e-003 1.2240e+003 -1.2539e+000 1.9098e+001
-# -Range: 0-300
-
- 1.0000 VO2+ + 2.0000 H2O = VO4--- +4.0000 H+
- -llnl_gamma 4.0
- log_k -28.4475
- -delta_H 0 # Not possible to calculate enthalpy of reaction VO4-3
-# Enthalpy of formation: -0 kcal/mol
-
- 1.0000 Yb+++ + 0.5000 H2O = Yb++ +1.0000 H+ +0.2500 O2
- -llnl_gamma 4.5
- log_k -39.4595
- -delta_H 280.05 kJ/mol # Calculated enthalpy of reaction Yb+2
-# Enthalpy of formation: -126.8 kcal/mol
- -analytic 1.0773e+000 9.5995e-003 -1.3833e+004 1.0723e+000 3.1365e+004
-# -Range: 0-300
-
- 2.0000 H+ + 1.0000 Zr(OH)2++ = Zr++++ +2.0000 H2O
- -llnl_gamma 11.0
- log_k +0.2385
- -delta_H 0 # Not possible to calculate enthalpy of reaction Zr+4
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 HS- + 4.0000 H+ + 2.0000 Sb(OH)3 + 2.0000 NH3 = (NH4)2Sb2S4 +6.0000 H2O
- -llnl_gamma 3.0
- log_k +67.6490
- -delta_H -424.665 kJ/mol # Calculated enthalpy of reaction (NH4)2Sb2S4
-# Enthalpy of formation: -484.321 kJ/mol
- -analytic -3.9259e+002 -1.1727e-001 3.2073e+004 1.5667e+002 5.4478e+002
-# -Range: 0-200
-
-2.0000 NpO2++ + 2.0000 H2O = (NpO2)2(OH)2++ +2.0000 H+
- -llnl_gamma 4.5
- log_k -6.4
- -delta_H 45.4397 kJ/mol # Calculated enthalpy of reaction (NpO2)2(OH)2+2
-# Enthalpy of formation: -537.092 kcal/mol
- -analytic -4.7462e+001 -3.1413e-002 -2.1954e+003 2.3355e+001 -3.7424e+001
-# -Range: 25-150
-
-5.0000 H2O + 3.0000 NpO2++ = (NpO2)3(OH)5+ +5.0000 H+
- -llnl_gamma 4.0
- log_k -17.5
- -delta_H 112.322 kJ/mol # Calculated enthalpy of reaction (NpO2)3(OH)5+
-# Enthalpy of formation: -931.717 kcal/mol
- -analytic 5.4053e+002 9.1693e-002 -2.4404e+004 -2.0349e+002 -4.1639e+002
-# -Range: 25-150
-
-2.0000 PuO2++ + 2.0000 H2O = (PuO2)2(OH)2++ +2.0000 H+
- -llnl_gamma 4.5
- log_k -8.2626
- -delta_H 57.8597 kJ/mol # Calculated enthalpy of reaction (PuO2)2(OH)2+2
-# Enthalpy of formation: -2156.97 kJ/mol
- -analytic 6.5448e+001 -1.6194e-003 -5.9542e+003 -2.1522e+001 -9.2929e+001
-# -Range: 0-300
-
-5.0000 H2O + 3.0000 PuO2++ = (PuO2)3(OH)5+ +5.0000 H+
- -llnl_gamma 4.0
- log_k -21.655
- -delta_H 139.617 kJ/mol # Calculated enthalpy of reaction (PuO2)3(OH)5+
-# Enthalpy of formation: -3754.31 kJ/mol
- -analytic 1.6151e+002 5.8182e-003 -1.4002e+004 -5.5745e+001 -2.1854e+002
-# -Range: 0-300
-
-4.0000 H2O + 2.0000 TcO++ = (TcO(OH)2)2 +4.0000 H+
- -llnl_gamma 3.0
- log_k -0.1271
- -delta_H 0 # Not possible to calculate enthalpy of reaction (TcO(OH)2)2
-# Enthalpy of formation: -0 kcal/mol
-
-12.0000 H2O + 11.0000 UO2++ + 6.0000 HCO3- = (UO2)11(CO3)6(OH)12-2 +18.0000 H+
- -llnl_gamma 4.0
- log_k -25.7347
- -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)11(CO3)6(OH)12-2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 UO2++ + 2.0000 H2O = (UO2)2(OH)2++ +2.0000 H+
- -llnl_gamma 4.5
- log_k -5.6346
- -delta_H 37.6127 kJ/mol # Calculated enthalpy of reaction (UO2)2(OH)2+2
-# Enthalpy of formation: -2572.06 kJ/mol
- -analytic 6.4509e+001 -7.6875e-004 -4.8433e+003 -2.1689e+001 -7.5593e+001
-# -Range: 0-300
-
-3.0000 H2O + 2.0000 UO2++ + 1.0000 HCO3- = (UO2)2CO3(OH)3- +4.0000 H+
- -llnl_gamma 4.0
- log_k -11.2229
- -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)2CO3(OH)3-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 UO2++ + 1.0000 H2O = (UO2)2OH+++ +1.0000 H+
- -llnl_gamma 5.0
- log_k -2.7072
- -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)2OH+3
-# Enthalpy of formation: -0 kcal/mol
-
-6.0000 HCO3- + 3.0000 UO2++ = (UO2)3(CO3)6-6 +6.0000 H+
- -llnl_gamma 4.0
- log_k -8.0601
- -delta_H 25.5204 kJ/mol # Calculated enthalpy of reaction (UO2)3(CO3)6-6
-# Enthalpy of formation: -7171.08 kJ/mol
- -analytic 7.4044e+002 2.7299e-001 -1.7614e+004 -3.1149e+002 -2.7507e+002
-# -Range: 0-300
-
-4.0000 H2O + 3.0000 UO2++ = (UO2)3(OH)4++ +4.0000 H+
- -llnl_gamma 4.5
- log_k -11.929
- -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3(OH)4+2
-# Enthalpy of formation: -0 kcal/mol
-
-5.0000 H2O + 3.0000 UO2++ = (UO2)3(OH)5+ +5.0000 H+
- -llnl_gamma 4.0
- log_k -15.5862
- -delta_H 97.1056 kJ/mol # Calculated enthalpy of reaction (UO2)3(OH)5+
-# Enthalpy of formation: -4389.09 kJ/mol
- -analytic 1.6004e+002 7.0827e-003 -1.1700e+004 -5.5973e+001 -1.8261e+002
-# -Range: 0-300
-
-4.0000 H2O + 3.0000 UO2++ + 1.0000 HCO3- = (UO2)3(OH)5CO2+ +4.0000 H+
- -llnl_gamma 4.0
- log_k -9.6194
- -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3(OH)5CO2+
-# Enthalpy of formation: -0 kcal/mol
-
-7.0000 H2O + 3.0000 UO2++ = (UO2)3(OH)7- +7.0000 H+
- -llnl_gamma 4.0
- log_k -31.0508
- -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3(OH)7-
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 UO2++ + 3.0000 H2O + 1.0000 HCO3- = (UO2)3O(OH)2(HCO3)+ +4.0000 H+
- -llnl_gamma 4.0
- log_k -9.7129
- -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3O(OH)2(HCO3)+
-# Enthalpy of formation: -0 kcal/mol
-
-7.0000 H2O + 4.0000 UO2++ = (UO2)4(OH)7+ +7.0000 H+
- -llnl_gamma 4.0
- log_k -21.9508
- -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)4(OH)7+
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 VO++ + 2.0000 H2O = (VO)2(OH)2++ +2.0000 H+
- -llnl_gamma 4.5
- log_k -6.67
- -delta_H 0 # Not possible to calculate enthalpy of reaction (VO)2(OH)2+2
-# Enthalpy of formation: -0 kcal/mol
-
-HAcetate = Acetate- + H+
- -llnl_gamma 4.5
- log_k -4.7572
- -delta_H 0 # Not possible to calculate enthalpy of reaction Acetate-
-# Enthalpy of formation: -0 kcal/mol
- -analytic -0.96597E+02 -0.34535E-01 0.19753E+04 0.38593E+02 0.30850E+02
-# Range: 0-300
-
-2.0000 HAcetate + 1.0000 Ag+ = Ag(Acetate)2- +2.0000 H+
- -llnl_gamma 4.0
- log_k -8.8716
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ag(Acetate)2-
-# Enthalpy of formation: -0 kcal/mol
- -analytic -2.8207e+002 -5.3713e-002 9.5343e+003 1.0396e+002 1.4886e+002
-# -Range: 0-300
-
-2.0000 HCO3- + 1.0000 Ag+ = Ag(CO3)2--- +2.0000 H+
- -llnl_gamma 4.0
- log_k -18.5062
- -delta_H 1.34306 kJ/mol # Calculated enthalpy of reaction Ag(CO3)2-3
-# Enthalpy of formation: -304.2 kcal/mol
- -analytic -1.6671e+002 -4.5571e-002 3.7190e+003 6.0341e+001 5.8080e+001
-# -Range: 0-300
-
-1.0000 Ag+ + 1.0000 HAcetate = AgAcetate +1.0000 H+
- -llnl_gamma 3.0
- log_k -4.0264
- -delta_H -3.4518 kJ/mol # Calculated enthalpy of reaction AgAcetate
-# Enthalpy of formation: -91.65 kcal/mol
- -analytic 6.9069e+000 -1.9415e-003 -1.9953e+003 -2.6175e+000 2.5092e+005
-# -Range: 0-300
-
-1.0000 HCO3- + 1.0000 Ag+ = AgCO3- +1.0000 H+
- -llnl_gamma 4.0
- log_k -7.6416
- -delta_H -8.27177 kJ/mol # Calculated enthalpy of reaction AgCO3-
-# Enthalpy of formation: -141.6 kcal/mol
- -analytic 6.5598e+000 -1.6477e-004 -4.7079e+002 -5.0807e+000 -7.3484e+000
-# -Range: 0-300
-
-1.0000 Cl- + 1.0000 Ag+ = AgCl
- -llnl_gamma 3.0
- log_k +3.2971
- -delta_H -15.1126 kJ/mol # Calculated enthalpy of reaction AgCl
-# Enthalpy of formation: -18.27 kcal/mol
- -analytic 1.0904e+002 3.5492e-002 -1.8455e+003 -4.4502e+001 -2.8830e+001
-# -Range: 0-300
-
-2.0000 Cl- + 1.0000 Ag+ = AgCl2-
- -llnl_gamma 4.0
- log_k +5.2989
- -delta_H -27.3592 kJ/mol # Calculated enthalpy of reaction AgCl2-
-# Enthalpy of formation: -61.13 kcal/mol
- -analytic 9.2164e+001 4.0261e-002 -1.6597e+002 -3.9721e+001 -2.6171e+000
-# -Range: 0-300
-
-3.0000 Cl- + 1.0000 Ag+ = AgCl3--
- -llnl_gamma 4.0
- log_k +5.1310
- -delta_H -47.7645 kJ/mol # Calculated enthalpy of reaction AgCl3-2
-# Enthalpy of formation: -105.94 kcal/mol
- -analytic 4.3732e+000 2.9568e-002 3.9818e+003 -8.6428e+000 6.2131e+001
-# -Range: 0-300
-
-4.0000 Cl- + 1.0000 Ag+ = AgCl4---
- -llnl_gamma 4.0
- log_k +3.8050
- -delta_H -32.4804 kJ/mol # Calculated enthalpy of reaction AgCl4-3
-# Enthalpy of formation: -142.22 kcal/mol
- -analytic -1.6176e+001 2.9523e-002 0.0000e+000 0.0000e+000 9.9602e+005
-# -Range: 0-300
-
-1.0000 F- + 1.0000 Ag+ = AgF
- -llnl_gamma 3.0
- log_k -0.1668
- -delta_H -9.298 kJ/mol # Calculated enthalpy of reaction AgF
-# Enthalpy of formation: -238.895 kJ/mol
- -analytic -6.6024e+001 -2.2350e-002 1.9514e+003 2.6663e+001 3.3160e+001
-# -Range: 0-200
-
-1.0000 NO3- + 1.0000 Ag+ = AgNO3
- -llnl_gamma 3.0
- log_k -0.1979
- -delta_H 4.45178 kJ/mol # Calculated enthalpy of reaction AgNO3
-# Enthalpy of formation: -23.09 kcal/mol
- -analytic 7.3866e+001 2.6050e-002 -1.5923e+003 -3.0904e+001 -2.4868e+001
-# -Range: 0-300
-
-2.0000 HAcetate + 1.0000 Al+++ = Al(Acetate)2+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -5.595
- -delta_H -46.8566 kJ/mol # Calculated enthalpy of reaction Al(Acetate)2+
-# Enthalpy of formation: -372.08 kcal/mol
- -analytic -4.2528e+001 2.1431e-003 3.1658e+002 1.1585e+001 5.8604e+005
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Al+++ = Al(OH)2+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -10.5945
- -delta_H 98.2822 kJ/mol # Calculated enthalpy of reaction Al(OH)2+
-# Enthalpy of formation: -241.825 kcal/mol
- -analytic 4.4036e+001 2.0168e-002 -5.5455e+003 -1.6987e+001 -8.6545e+001
-# -Range: 0-300
-
-2.0000 SO4-- + 1.0000 Al+++ = Al(SO4)2-
- -llnl_gamma 4.0
- log_k +4.9000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Al(SO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-28.0000 H2O + 13.0000 Al+++ = Al13O4(OH)24+7 +32.0000 H+
- -llnl_gamma 6.0
- log_k -98.73
- -delta_H 0 # Not possible to calculate enthalpy of reaction Al13O4(OH)24+7
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H2O + 2.0000 Al+++ = Al2(OH)2++++ +2.0000 H+
- -llnl_gamma 5.5
- log_k -7.6902
- -delta_H 0 # Not possible to calculate enthalpy of reaction Al2(OH)2+4
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 H2O + 3.0000 Al+++ = Al3(OH)4+5 +4.0000 H+
- -llnl_gamma 6.0
- log_k -13.8803
- -delta_H 0 # Not possible to calculate enthalpy of reaction Al3(OH)4+5
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Al+++ + 1.0000 HAcetate = AlAcetate++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -2.6923
- -delta_H -18.1962 kJ/mol # Calculated enthalpy of reaction AlAcetate+2
-# Enthalpy of formation: -249.13 kcal/mol
- -analytic -1.9847e+001 2.0058e-003 -2.3653e+002 5.5454e+000 3.2362e+005
-# -Range: 0-300
-
-1.0000 F- + 1.0000 Al+++ = AlF++
- -llnl_gamma 4.5
- log_k +7.0000
- -delta_H 0 # Not possible to calculate enthalpy of reaction AlF+2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 F- + 1.0000 Al+++ = AlF2+
- -llnl_gamma 4.0
- log_k +12.6000
- -delta_H 0 # Not possible to calculate enthalpy of reaction AlF2+
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 F- + 1.0000 Al+++ = AlF3
- -llnl_gamma 3.0
- log_k +16.7000
- -delta_H 0 # Not possible to calculate enthalpy of reaction AlF3
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 F- + 1.0000 Al+++ = AlF4-
- -llnl_gamma 4.0
- log_k +19.1000
- -delta_H 0 # Not possible to calculate enthalpy of reaction AlF4-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Al+++ = AlH2PO4++
- -llnl_gamma 4.5
- log_k +3.1000
- -delta_H 0 # Not possible to calculate enthalpy of reaction AlH2PO4+2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 HPO4-- + 1.0000 Al+++ = AlHPO4+
- -llnl_gamma 4.0
- log_k +7.4000
- -delta_H 0 # Not possible to calculate enthalpy of reaction AlHPO4+
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H2O + 1.0000 Al+++ = AlO2- +4.0000 H+
- -llnl_gamma 4.0
- log_k -22.8833
- -delta_H 180.899 kJ/mol # Calculated enthalpy of reaction AlO2-
-# Enthalpy of formation: -222.079 kcal/mol
- -analytic 1.0803e+001 -3.4379e-003 -9.7391e+003 0.0000e+000 0.0000e+000
-# -Range: 0-300
-
-1.0000 H2O + 1.0000 Al+++ = AlOH++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -4.9571
- -delta_H 49.798 kJ/mol # Calculated enthalpy of reaction AlOH+2
-# Enthalpy of formation: -185.096 kcal/mol
- -analytic -2.6224e-001 8.8816e-003 -1.8686e+003 -4.3195e-001 -2.9158e+001
-# -Range: 0-300
-
-1.0000 SO4-- + 1.0000 Al+++ = AlSO4+
- -llnl_gamma 4.0
- log_k +3.0100
- -delta_H 0 # Not possible to calculate enthalpy of reaction AlSO4+
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HCO3- + 1.0000 Am+++ = Am(CO3)2- +2.0000 H+
- -llnl_gamma 4.0
- log_k -8.3868
- -delta_H 0 # Not possible to calculate enthalpy of reaction Am(CO3)2-
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 HCO3- + 1.0000 Am+++ = Am(CO3)3--- +3.0000 H+
- -llnl_gamma 4.0
- log_k -15.8302
- -delta_H 0 # Not possible to calculate enthalpy of reaction Am(CO3)3-3
-# Enthalpy of formation: -0 kcal/mol
-
-5.0000 HCO3- + 1.0000 Am++++ = Am(CO3)5-6 +5.0000 H+
- -llnl_gamma 4.0
- log_k -12.409
- -delta_H 0 # Not possible to calculate enthalpy of reaction Am(CO3)5-6
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H2O + 1.0000 Am+++ = Am(OH)2+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -14.1145
- -delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)2+
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 H2O + 1.0000 Am+++ = Am(OH)3 +3.0000 H+
- -llnl_gamma 3.0
- log_k -25.7218
- -delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)3
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 SO4-- + 1.0000 Am+++ = Am(SO4)2-
- -llnl_gamma 4.0
- log_k +5.2407
- -delta_H 0 # Not possible to calculate enthalpy of reaction Am(SO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 HCO3- + 1.0000 Am+++ = AmCO3+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -2.5434
- -delta_H 0 # Not possible to calculate enthalpy of reaction AmCO3+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Cl- + 1.0000 Am+++ = AmCl++
- -llnl_gamma 4.5
- log_k +1.0374
- -delta_H 0 # Not possible to calculate enthalpy of reaction AmCl+2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 F- + 1.0000 Am+++ = AmF++
- -llnl_gamma 4.5
- log_k +3.3601
- -delta_H 0 # Not possible to calculate enthalpy of reaction AmF+2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 F- + 1.0000 Am+++ = AmF2+
- -llnl_gamma 4.0
- log_k +5.7204
- -delta_H 0 # Not possible to calculate enthalpy of reaction AmF2+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Am+++ = AmH2PO4++
- -llnl_gamma 4.5
- log_k +11.4119
- -delta_H 0 # Not possible to calculate enthalpy of reaction AmH2PO4+2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 N3- + 1.0000 Am+++ = AmN3++
- -llnl_gamma 4.5
- log_k +1.6699
- -delta_H 0 # Not possible to calculate enthalpy of reaction AmN3+2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 NO3- + 1.0000 Am+++ = AmNO3++
- -llnl_gamma 4.5
- log_k +1.3104
- -delta_H 0 # Not possible to calculate enthalpy of reaction AmNO3+2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 H2O + 1.0000 Am+++ = AmOH++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -6.4072
- -delta_H 0 # Not possible to calculate enthalpy of reaction AmOH+2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 SO4-- + 1.0000 Am+++ = AmSO4+
- -llnl_gamma 4.0
- log_k +3.7703
- -delta_H 0 # Not possible to calculate enthalpy of reaction AmSO4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 H2AsO3- + 1.0000 H+ = As(OH)3
- -llnl_gamma 3.0
- log_k +9.2048
- -delta_H -27.4054 kJ/mol # Calculated enthalpy of reaction As(OH)3
-# Enthalpy of formation: -742.2 kJ/mol
- -analytic 1.3020e+002 4.7513e-002 -1.1999e+003 -5.2993e+001 -2.0422e+001
-# -Range: 0-200
-
-1.0000 H2AsO3- = AsO2- +1.0000 H2O
- -llnl_gamma 4.0
- log_k 0.0111
- -delta_H 0 # Not possible to calculate enthalpy of reaction AsO2-
-# Enthalpy of formation: -0 kcal/mol
- -analytic -2.1509e+001 -1.7680e-002 -1.9261e+001 1.0841e+001 -2.9404e-001
-# -Range: 0-300
-
-1.0000 H2AsO3- = AsO2OH-- +1.0000 H+
- -llnl_gamma 4.0
- log_k -11.0171
- -delta_H 25.514 kJ/mol # Calculated enthalpy of reaction AsO2OH-2
-# Enthalpy of formation: -164.742 kcal/mol
- -analytic 1.4309e+002 1.8620e-002 -6.8596e+003 -5.5222e+001 -1.0708e+002
-# -Range: 0-300
-
-1.0000 H2AsO4- + 1.0000 F- = AsO3F-- +1.0000 H2O
- -llnl_gamma 4.0
- log_k +40.2451
- -delta_H 0 # Not possible to calculate enthalpy of reaction AsO3F-2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 H2AsO4- = AsO4--- +2.0000 H+
- -llnl_gamma 4.0
- log_k -18.3604
- -delta_H 21.4198 kJ/mol # Calculated enthalpy of reaction AsO4-3
-# Enthalpy of formation: -888.14 kJ/mol
- -analytic -2.4979e+001 -1.2761e-002 2.8369e+003 3.4878e+000 -6.8736e+005
-# -Range: 0-300
-
-2.0000 HAcetate + 1.0000 Au+ = Au(Acetate)2- +2.0000 H+
- -llnl_gamma 4.0
- log_k -9.0013
- -delta_H -8.91192 kJ/mol # Calculated enthalpy of reaction Au(Acetate)2-
-# Enthalpy of formation: -186.75 kcal/mol
- -analytic -2.2338e+002 -4.6312e-002 7.0942e+003 8.2606e+001 1.1076e+002
-# -Range: 0-300
-
-1.0000 Au+ + 1.0000 HAcetate = AuAcetate +1.0000 H+
- -llnl_gamma 3.0
- log_k -4.3174
- -delta_H 0.87864 kJ/mol # Calculated enthalpy of reaction AuAcetate
-# Enthalpy of formation: -68.31 kcal/mol
- -analytic -1.1812e+000 -4.1120e-003 -1.4752e+003 4.5665e-001 1.7019e+005
-# -Range: 0-300
-
-2.0000 B(OH)3 = B2O(OH)5- +1.0000 H+
- -llnl_gamma 4.0
- log_k -18.6851
- -delta_H 0 # Not possible to calculate enthalpy of reaction B2O(OH)5-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 F- + 1.0000 H+ + 1.0000 B(OH)3 = BF2(OH)2- +1.0000 H2O
- -llnl_gamma 4.0
- log_k +6.6174
- -delta_H 0 # Not possible to calculate enthalpy of reaction BF2(OH)2-
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 F- + 2.0000 H+ + 1.0000 B(OH)3 = BF3OH- +2.0000 H2O
- -llnl_gamma 4.0
- log_k +13.1908
- -delta_H -178.577 kJ/mol # Calculated enthalpy of reaction BF3OH-
-# Enthalpy of formation: -403.317 kcal/mol
- -analytic 3.3411e+002 -3.7303e-002 -8.6507e+003 -1.1345e+002 -1.3508e+002
-# -Range: 0-300
-
-4.0000 F- + 3.0000 H+ + 1.0000 B(OH)3 = BF4- +3.0000 H2O
- -llnl_gamma 4.0
- log_k +18.0049
- -delta_H -16.4473 kJ/mol # Calculated enthalpy of reaction BF4-
-# Enthalpy of formation: -376.4 kcal/mol
- -analytic 2.5491e+002 1.0443e-001 -3.3332e+003 -1.0378e+002 -5.2087e+001
-# -Range: 0-300
-
-1.0000 B(OH)3 = BO2- +1.0000 H+ +1.0000 H2O
- -llnl_gamma 4.0
- log_k -9.2449
- -delta_H 16.3302 kJ/mol # Calculated enthalpy of reaction BO2-
-# Enthalpy of formation: -184.6 kcal/mol
- -analytic -1.0500e+002 -3.3447e-002 1.4706e+003 4.0724e+001 2.2978e+001
-# -Range: 0-300
-
-2.0000 HAcetate + 1.0000 Ba++ = Ba(Acetate)2 +2.0000 H+
- -llnl_gamma 3.0
- log_k -8.0118
- -delta_H 11.255 kJ/mol # Calculated enthalpy of reaction Ba(Acetate)2
-# Enthalpy of formation: -358.01 kcal/mol
- -analytic -1.4566e+001 3.1394e-004 -3.9564e+003 5.1906e+000 6.1407e+005
-# -Range: 0-300
-
-1.0000 O_phthalate-2 + 1.0000 Ba++ = Ba(O_phthalate)
- -llnl_gamma 3.0
- log_k +2.3300
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ba(O_phthalate)
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 H2O + 1.0000 Ba++ + 1.0000 B(OH)3 = BaB(OH)4+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -7.8012
- -delta_H 0 # Not possible to calculate enthalpy of reaction BaB(OH)4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Ba++ + 1.0000 HAcetate = BaAcetate+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -3.7677
- -delta_H 7.322 kJ/mol # Calculated enthalpy of reaction BaAcetate+
-# Enthalpy of formation: -242.85 kcal/mol
- -analytic -1.5623e+001 2.9282e-003 -3.9534e+002 4.3959e+000 1.2829e+005
-# -Range: 0-300
-
-1.0000 HCO3- + 1.0000 Ba++ = BaCO3 +1.0000 H+
- -llnl_gamma 3.0
- log_k -7.6834
- -delta_H 31.5808 kJ/mol # Calculated enthalpy of reaction BaCO3
-# Enthalpy of formation: -285.85 kcal/mol
- -analytic 2.1878e+002 5.2368e-002 -8.2472e+003 -8.6644e+001 -1.2875e+002
-# -Range: 0-300
-
-1.0000 Cl- + 1.0000 Ba++ = BaCl+
- -llnl_gamma 4.0
- log_k -0.4977
- -delta_H 11.142 kJ/mol # Calculated enthalpy of reaction BaCl+
-# Enthalpy of formation: -165.77 kcal/mol
- -analytic 1.1016e+002 4.2325e-002 -2.8039e+003 -4.6010e+001 -4.3785e+001
-# -Range: 0-300
-
-1.0000 F- + 1.0000 Ba++ = BaF+
- -llnl_gamma 4.0
- log_k -0.1833
- -delta_H 8.95376 kJ/mol # Calculated enthalpy of reaction BaF+
-# Enthalpy of formation: -206.51 kcal/mol
- -analytic 1.0349e+002 4.0336e-002 -2.5195e+003 -4.3334e+001 -3.9346e+001
-# -Range: 0-300
-
-1.0000 NO3- + 1.0000 Ba++ = BaNO3+
- -llnl_gamma 4.0
- log_k +0.9000
- -delta_H 0 # Not possible to calculate enthalpy of reaction BaNO3+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 H2O + 1.0000 Ba++ = BaOH+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -13.47
- -delta_H 0 # Not possible to calculate enthalpy of reaction BaOH+
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HAcetate + 1.0000 Be++ = Be(Acetate)2 +2.0000 H+
- -llnl_gamma 3.0
- log_k -6.8023
- -delta_H -52.4255 kJ/mol # Calculated enthalpy of reaction Be(Acetate)2
-# Enthalpy of formation: -336.23 kcal/mol
- -analytic -3.5242e+001 5.1285e-003 -4.8914e+002 8.2862e+000 7.1774e+005
-# -Range: 0-300
-
-1.0000 Be++ + 1.0000 HAcetate = BeAcetate+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -3.1079
- -delta_H -22.761 kJ/mol # Calculated enthalpy of reaction BeAcetate+
-# Enthalpy of formation: -213.04 kcal/mol
- -analytic -1.9418e+001 5.2172e-004 -8.5071e+001 5.2755e+000 3.0215e+005
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Be++ = BeO2-- +4.0000 H+
- -llnl_gamma 4.0
- log_k -32.161
- -delta_H 163.737 kJ/mol # Calculated enthalpy of reaction BeO2-2
-# Enthalpy of formation: -189 kcal/mol
- -analytic 7.0860e+000 -3.8474e-002 -1.1400e+004 4.2138e+000 -1.7789e+002
-# -Range: 0-300
-
-2.0000 H+ + 2.0000 Br- + 0.5000 O2 = Br2 +1.0000 H2O
- -llnl_gamma 3.0
- log_k +5.6834
- -delta_H 0 # Not possible to calculate enthalpy of reaction Br2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 HCO3- + 1.0000 H+ = CO2 +1.0000 H2O
- -CO2_llnl_gamma
- log_k +6.3447
- -delta_H -9.7027 kJ/mol # Calculated enthalpy of reaction CO2
-# Enthalpy of formation: -98.9 kcal/mol
- -analytic -1.0534e+001 2.1746e-002 2.5216e+003 7.9125e-001 3.9351e+001
-# -Range: 0-300
-
-1.0000 HCO3- = CO3-- +1.0000 H+
- -llnl_gamma 4.5
- log_k -10.3288
- -delta_H 14.6984 kJ/mol # Calculated enthalpy of reaction CO3-2
-# Enthalpy of formation: -161.385 kcal/mol
- -analytic -6.9958e+001 -3.3526e-002 -7.0846e+001 2.8224e+001 -1.0849e+000
-# -Range: 0-300
-
-2.0000 HAcetate + 1.0000 Ca++ = Ca(Acetate)2 +2.0000 H+
- -llnl_gamma 3.0
- log_k -7.3814
- -delta_H -2.7196 kJ/mol # Calculated enthalpy of reaction Ca(Acetate)2
-# Enthalpy of formation: -362.65 kcal/mol
- -analytic -1.0320e+001 4.0012e-003 -3.6281e+003 2.4421e+000 7.0175e+005
-# -Range: 0-300
-
-1.0000 O_phthalate-2 + 1.0000 Ca++ = Ca(O_phthalate)
- -llnl_gamma 3.0
- log_k +2.4200
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ca(O_phthalate)
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 H2O + 1.0000 Ca++ + 1.0000 B(OH)3 = CaB(OH)4+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -7.4222
- -delta_H 0 # Not possible to calculate enthalpy of reaction CaB(OH)4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Ca++ + 1.0000 HAcetate = CaAcetate+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -3.8263
- -delta_H 1.17152 kJ/mol # Calculated enthalpy of reaction CaAcetate+
-# Enthalpy of formation: -245.62 kcal/mol
- -analytic -8.8826e+000 3.1672e-003 -1.0764e+003 2.0526e+000 2.3599e+005
-# -Range: 0-300
-
-1.0000 HCO3- + 1.0000 Ca++ = CaCO3 +1.0000 H+
- -llnl_gamma 3.0
- log_k -7.0017
- -delta_H 30.5767 kJ/mol # Calculated enthalpy of reaction CaCO3
-# Enthalpy of formation: -287.39 kcal/mol
- -analytic 2.3045e+002 5.5350e-002 -8.5056e+003 -9.1096e+001 -1.3279e+002
-# -Range: 0-300
-
-1.0000 Cl- + 1.0000 Ca++ = CaCl+
- -llnl_gamma 4.0
- log_k -0.6956
- -delta_H 2.02087 kJ/mol # Calculated enthalpy of reaction CaCl+
-# Enthalpy of formation: -169.25 kcal/mol
- -analytic 8.1498e+001 3.8387e-002 -1.3763e+003 -3.5968e+001 -2.1501e+001
-# -Range: 0-300
-
-2.0000 Cl- + 1.0000 Ca++ = CaCl2
- -llnl_gamma 3.0
- log_k -0.6436
- -delta_H -5.8325 kJ/mol # Calculated enthalpy of reaction CaCl2
-# Enthalpy of formation: -211.06 kcal/mol
- -analytic 1.8178e+002 7.6910e-002 -3.1088e+003 -7.8760e+001 -4.8563e+001
-# -Range: 0-300
-
-1.0000 F- + 1.0000 Ca++ = CaF+
- -llnl_gamma 4.0
- log_k +0.6817
- -delta_H 5.6484 kJ/mol # Calculated enthalpy of reaction CaF+
-# Enthalpy of formation: -208.6 kcal/mol
- -analytic 7.8058e+001 3.8276e-002 -1.3289e+003 -3.4071e+001 -2.0759e+001
-# -Range: 0-300
-
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Ca++ = CaH2PO4+
- -llnl_gamma 4.0
- log_k +1.4000
- -delta_H 0 # Not possible to calculate enthalpy of reaction CaH2PO4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 HCO3- + 1.0000 Ca++ = CaHCO3+
- -llnl_gamma 4.0
- log_k +1.0467
- -delta_H 1.45603 kJ/mol # Calculated enthalpy of reaction CaHCO3+
-# Enthalpy of formation: -294.35 kcal/mol
- -analytic 5.5985e+001 3.4639e-002 -3.6972e+002 -2.5864e+001 -5.7859e+000
-# -Range: 0-300
-
-1.0000 HPO4-- + 1.0000 Ca++ = CaHPO4
- -llnl_gamma 3.0
- log_k +2.7400
- -delta_H 0 # Not possible to calculate enthalpy of reaction CaHPO4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 NO3- + 1.0000 Ca++ = CaNO3+
- -llnl_gamma 4.0
- log_k +0.7000
- -delta_H 0 # Not possible to calculate enthalpy of reaction CaNO3+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 H2O + 1.0000 Ca++ = CaOH+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -12.85
- -delta_H 0 # Not possible to calculate enthalpy of reaction CaOH+
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Ca++ = CaP2O7-- +1.0000 H2O
- -llnl_gamma 4.0
- log_k +3.0537
- -delta_H 0 # Not possible to calculate enthalpy of reaction CaP2O7-2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 HPO4-- + 1.0000 Ca++ = CaPO4- +1.0000 H+
- -llnl_gamma 4.0
- log_k -5.8618
- -delta_H 0 # Not possible to calculate enthalpy of reaction CaPO4-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 SO4-- + 1.0000 Ca++ = CaSO4
- -llnl_gamma 3.0
- log_k +2.1111
- -delta_H 5.4392 kJ/mol # Calculated enthalpy of reaction CaSO4
-# Enthalpy of formation: -345.9 kcal/mol
- -analytic 2.8618e+002 8.4084e-002 -7.6880e+003 -1.1449e+002 -1.2005e+002
-# -Range: 0-300
-
-2.0000 HAcetate + 1.0000 Cd++ = Cd(Acetate)2 +2.0000 H+
- -llnl_gamma 3.0
- log_k -6.3625
- -delta_H -17.4891 kJ/mol # Calculated enthalpy of reaction Cd(Acetate)2
-# Enthalpy of formation: -254.52 kcal/mol
- -analytic -1.9344e+001 2.5894e-003 -3.2847e+003 5.8489e+000 7.8041e+005
-# -Range: 0-300
-
-3.0000 HAcetate + 1.0000 Cd++ = Cd(Acetate)3- +3.0000 H+
- -llnl_gamma 4.0
- log_k -10.8558
- -delta_H -40.0409 kJ/mol # Calculated enthalpy of reaction Cd(Acetate)3-
-# Enthalpy of formation: -376.01 kcal/mol
- -analytic 4.8290e+001 -3.4317e-003 -1.5122e+004 -1.3203e+001 2.2479e+006
-# -Range: 0-300
-
-4.0000 HAcetate + 1.0000 Cd++ = Cd(Acetate)4-- +4.0000 H+
- -llnl_gamma 4.0
- log_k -16.9163
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Acetate)4-2
-# Enthalpy of formation: -0 kcal/mol
-
- 2.0000 Cyanide- + 1.0000 Cd++ = Cd(Cyanide)2
- -llnl_gamma 3.0
- log_k +10.3551
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Cyanide)2
- # Enthalpy of formation: -0 kcal/mol
-
- 3.0000 Cyanide- + 1.0000 Cd++ = Cd(Cyanide)3-
- -llnl_gamma 4.0
- log_k +14.8191
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Cyanide)3-
- # Enthalpy of formation: -0 kcal/mol
-
- 4.0000 Cyanide- + 1.0000 Cd++ = Cd(Cyanide)4--
- -llnl_gamma 4.0
- log_k +18.2670
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Cyanide)4-2
- # Enthalpy of formation: -0 kcal/mol
-
-
-2.0000 HCO3- + 1.0000 Cd++ = Cd(CO3)2-- +2.0000 H+
- -llnl_gamma 4.0
- log_k -14.2576
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(CO3)2-2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 N3- + 1.0000 Cd++ = Cd(N3)2
- -llnl_gamma 0.0
- log_k +2.4606
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(N3)2
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 N3- + 1.0000 Cd++ = Cd(N3)3-
- -llnl_gamma 4.0
- log_k +3.1263
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(N3)3-
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 N3- + 1.0000 Cd++ = Cd(N3)4--
- -llnl_gamma 4.0
- log_k +3.4942
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(N3)4-2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 NH3 + 1.0000 Cd++ = Cd(NH3)++
- -llnl_gamma 4.5
- log_k +2.5295
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(NH3)+2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 NH3 + 1.0000 Cd++ = Cd(NH3)2++
- -llnl_gamma 4.5
- log_k +4.8760
- -delta_H -27.6533 kJ/mol # Calculated enthalpy of reaction Cd(NH3)2+2
-# Enthalpy of formation: -266.225 kJ/mol
- -analytic 1.0738e+002 1.6071e-003 -3.2536e+003 -3.7202e+001 -5.0801e+001
-# -Range: 0-300
-
-4.0000 NH3 + 1.0000 Cd++ = Cd(NH3)4++
- -llnl_gamma 4.5
- log_k +7.2914
- -delta_H -49.0684 kJ/mol # Calculated enthalpy of reaction Cd(NH3)4+2
-# Enthalpy of formation: -450.314 kJ/mol
- -analytic 1.5670e+002 -9.4949e-003 -5.0986e+003 -5.2316e+001 -7.9603e+001
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Cd++ = Cd(OH)2 +2.0000 H+
- -llnl_gamma 3.0
- log_k -20.3402
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)2
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 H2O + 1.0000 Cd++ = Cd(OH)3- +3.0000 H+
- -llnl_gamma 4.0
- log_k -33.2852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)3-
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 H2O + 1.0000 Cd++ = Cd(OH)4-- +4.0000 H+
- -llnl_gamma 4.0
- log_k -47.3303
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)4-2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 H2O + 1.0000 Cl- + 1.0000 Cd++ = Cd(OH)Cl +1.0000 H+
- -llnl_gamma 3.0
- log_k -7.4328
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)Cl
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 Thiocyanate- + 1.0000 Cd++ = Cd(Thiocyanate)2
- -llnl_gamma 3.0
- log_k +1.8649
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Thiocyanate)2
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 Thiocyanate- + 1.0000 Cd++ = Cd(Thiocyanate)3-
- -llnl_gamma 4.0
- log_k +1.9000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Thiocyanate)3-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 Cd++ + 1.0000 H2O = Cd2OH+++ +1.0000 H+
- -llnl_gamma 5.0
- log_k -9.3851
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cd2OH+3
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 H2O + 4.0000 Cd++ = Cd4(OH)4++++ +4.0000 H+
- -llnl_gamma 5.5
- log_k -362.1263
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cd4(OH)4+4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Cd++ + 1.0000 Br- = CdBr+
- -llnl_gamma 4.0
- log_k +2.1424
- -delta_H -3.35588 kJ/mol # Calculated enthalpy of reaction CdBr+
-# Enthalpy of formation: -200.757 kJ/mol
- -analytic 1.4922e+002 5.0059e-002 -3.3035e+003 -6.0984e+001 -5.1593e+001
-# -Range: 0-300
-
-2.0000 Br- + 1.0000 Cd++ = CdBr2
- -llnl_gamma 3.0
- log_k +2.8614
- -delta_H 0 # Not possible to calculate enthalpy of reaction CdBr2
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 Br- + 1.0000 Cd++ = CdBr3-
- -llnl_gamma 4.0
- log_k +3.0968
- -delta_H 0 # Not possible to calculate enthalpy of reaction CdBr3-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Cd++ + 1.0000 HAcetate = CdAcetate+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -2.8294
- -delta_H -7.02912 kJ/mol # Calculated enthalpy of reaction CdAcetate+
-# Enthalpy of formation: -135.92 kcal/mol
- -analytic -8.8425e+000 1.7178e-003 -1.1758e+003 2.4435e+000 3.0321e+005
-# -Range: 0-300
-
-1.0000 Cd++ + 1.0000 Cyanide- = CdCyanide+
- -llnl_gamma 4.0
- log_k +5.3129
- -delta_H 0 # Not possible to calculate enthalpy of reaction CdCyanide+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 HCO3- + 1.0000 Cd++ = CdCO3 +1.0000 H+
- -llnl_gamma 3.0
- log_k -7.3288
- -delta_H 0 # Not possible to calculate enthalpy of reaction CdCO3
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Cl- + 1.0000 Cd++ = CdCl+
- -llnl_gamma 4.0
- log_k +2.7059
- -delta_H 2.33843 kJ/mol # Calculated enthalpy of reaction CdCl+
-# Enthalpy of formation: -240.639 kJ/mol
-2.0000 Cl- + 1.0000 Cd++ = CdCl2
- -llnl_gamma 3.0
- log_k +3.3384
- -delta_H 5.1261 kJ/mol # Calculated enthalpy of reaction CdCl2
-# Enthalpy of formation: -404.931 kJ/mol
- -analytic 1.4052e+002 4.9221e-002 -3.2625e+003 -5.6946e+001 -5.5451e+001
-# -Range: 0-200
-
-3.0000 Cl- + 1.0000 Cd++ = CdCl3-
- -llnl_gamma 4.0
- log_k +2.7112
- -delta_H 15.9388 kJ/mol # Calculated enthalpy of reaction CdCl3-
-# Enthalpy of formation: -561.198 kJ/mol
- -analytic 3.5108e+002 1.0219e-001 -9.9103e+003 -1.3965e+002 -1.5474e+002
-# -Range: 0-300
-
-1.0000 HCO3- + 1.0000 Cd++ = CdHCO3+
- -llnl_gamma 4.0
- log_k +1.5000
- -delta_H 0 # Not possible to calculate enthalpy of reaction CdHCO3+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 I- + 1.0000 Cd++ = CdI+
- -llnl_gamma 4.0
- log_k +2.0710
- -delta_H -9.02584 kJ/mol # Calculated enthalpy of reaction CdI+
-# Enthalpy of formation: -141.826 kJ/mol
- -analytic 1.5019e+002 5.0320e-002 -3.0810e+003 -6.1738e+001 -4.8120e+001
-# -Range: 0-300
-
-2.0000 I- + 1.0000 Cd++ = CdI2
- -llnl_gamma 3.0
- log_k +3.4685
- -delta_H 0 # Not possible to calculate enthalpy of reaction CdI2
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 I- + 1.0000 Cd++ = CdI3-
- -llnl_gamma 4.0
- log_k +4.5506
- -delta_H 0 # Not possible to calculate enthalpy of reaction CdI3-
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 I- + 1.0000 Cd++ = CdI4--
- -llnl_gamma 4.0
- log_k +5.3524
- -delta_H -38.8566 kJ/mol # Calculated enthalpy of reaction CdI4-2
-# Enthalpy of formation: -342.364 kJ/mol
- -analytic 4.3154e+002 1.4257e-001 -8.4464e+003 -1.7795e+002 -1.3193e+002
-# -Range: 0-300
-
-1.0000 N3- + 1.0000 Cd++ = CdN3+
- -llnl_gamma 4.0
- log_k +1.4970
- -delta_H 0 # Not possible to calculate enthalpy of reaction CdN3+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 NO2- + 1.0000 Cd++ = CdNO2+
- -llnl_gamma 4.0
- log_k +2.3700
- -delta_H 0 # Not possible to calculate enthalpy of reaction CdNO2+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 H2O + 1.0000 Cd++ = CdOH+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -10.0751
- -delta_H 0 # Not possible to calculate enthalpy of reaction CdOH+
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Cd++ = CdP2O7-- +1.0000 H2O
- -llnl_gamma 4.0
- log_k +4.8094
- -delta_H 0 # Not possible to calculate enthalpy of reaction CdP2O7-2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Thiocyanate- + 1.0000 Cd++ = CdThiocyanate+
- -llnl_gamma 4.0
- log_k +1.3218
- -delta_H 0 # Not possible to calculate enthalpy of reaction CdThiocyanate+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 SO4-- + 1.0000 Cd++ = CdSO4
- -llnl_gamma 3.0
- log_k +0.0028
- -delta_H 0.20436 kJ/mol # Calculated enthalpy of reaction CdSO4
-# Enthalpy of formation: -985.295 kJ/mol
- -analytic -8.9926e+000 -1.9109e-003 2.7454e+002 3.4949e+000 4.6651e+000
-# -Range: 0-200
-
-1.0000 SeO4-- + 1.0000 Cd++ = CdSeO4
- -llnl_gamma 3.0
- log_k +2.2700
- -delta_H 0 # Not possible to calculate enthalpy of reaction CdSeO4
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HAcetate + 1.0000 Ce+++ = Ce(Acetate)2+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -4.8159
- -delta_H -22.9702 kJ/mol # Calculated enthalpy of reaction Ce(Acetate)2+
-# Enthalpy of formation: -405.09 kcal/mol
- -analytic -3.4653e+001 2.0716e-004 -6.3400e+002 1.0678e+001 4.8922e+005
-# -Range: 0-300
-
-3.0000 HAcetate + 1.0000 Ce+++ = Ce(Acetate)3 +3.0000 H+
- -llnl_gamma 3.0
- log_k -8.151
- -delta_H -38.7438 kJ/mol # Calculated enthalpy of reaction Ce(Acetate)3
-# Enthalpy of formation: -524.96 kcal/mol
- -analytic -2.3361e+001 2.3896e-003 -1.8035e+003 5.0888e+000 7.1021e+005
-# -Range: 0-300
-
-2.0000 HCO3- + 1.0000 Ce+++ = Ce(CO3)2- +2.0000 H+
- -llnl_gamma 4.0
- log_k -8.1576
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(CO3)2-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Ce+++ = Ce(HPO4)2-
- -llnl_gamma 4.0
- log_k +8.7000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(HPO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H2O + 1.0000 Ce++++ = Ce(OH)2++ +2.0000 H+
- -llnl_gamma 4.5
- log_k +2.0098
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(OH)2+2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Ce+++ = Ce(PO4)2--- +2.0000 H+
- -llnl_gamma 4.0
- log_k -6.1437
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(PO4)2-3
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H2O + 2.0000 Ce++++ = Ce2(OH)2+6 +2.0000 H+
- -llnl_gamma 6.0
- log_k +3.0098
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ce2(OH)2+6
-# Enthalpy of formation: -0 kcal/mol
-
-5.0000 H2O + 3.0000 Ce+++ = Ce3(OH)5++++ +5.0000 H+
- -llnl_gamma 5.5
- log_k -33.4754
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ce3(OH)5+4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Ce+++ + 1.0000 Br- = CeBr++
- -llnl_gamma 4.5
- log_k +0.3797
- -delta_H 3.0585 kJ/mol # Calculated enthalpy of reaction CeBr+2
-# Enthalpy of formation: -195.709 kcal/mol
- -analytic 7.5790e+001 3.6040e-002 -1.2647e+003 -3.3094e+001 -1.9757e+001
-# -Range: 0-300
-
-1.0000 Ce+++ + 1.0000 HAcetate = CeAcetate++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -2.0304
- -delta_H -12.0918 kJ/mol # Calculated enthalpy of reaction CeAcetate+2
-# Enthalpy of formation: -286.39 kcal/mol
- -analytic -1.6080e+001 6.6239e-004 -6.0721e+002 5.0845e+000 2.9512e+005
-# -Range: 0-300
-
-1.0000 HCO3- + 1.0000 Ce+++ = CeCO3+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -2.9284
- -delta_H 93.345 kJ/mol # Calculated enthalpy of reaction CeCO3+
-# Enthalpy of formation: -309.988 kcal/mol
- -analytic 2.3292e+002 5.3153e-002 -7.1180e+003 -9.2061e+001 -1.1114e+002
-# -Range: 0-300
-
-1.0000 Cl- + 1.0000 Ce+++ = CeCl++
- -llnl_gamma 4.5
- log_k +0.3086
- -delta_H 14.7821 kJ/mol # Calculated enthalpy of reaction CeCl+2
-# Enthalpy of formation: -203.8 kcal/mol
- -analytic 8.3534e+001 3.8166e-002 -2.0058e+003 -3.5504e+001 -3.1324e+001
-# -Range: 0-300
-
-2.0000 Cl- + 1.0000 Ce+++ = CeCl2+
- -llnl_gamma 4.0
- log_k +0.0308
- -delta_H 20.7777 kJ/mol # Calculated enthalpy of reaction CeCl2+
-# Enthalpy of formation: -242.3 kcal/mol
- -analytic 2.3011e+002 8.1428e-002 -6.1292e+003 -9.4468e+001 -9.5708e+001
-# -Range: 0-300
-
-3.0000 Cl- + 1.0000 Ce+++ = CeCl3
- -llnl_gamma 3.0
- log_k -0.3936
- -delta_H 15.4766 kJ/mol # Calculated enthalpy of reaction CeCl3
-# Enthalpy of formation: -283.5 kcal/mol
- -analytic 4.4073e+002 1.2994e-001 -1.2308e+004 -1.7722e+002 -1.9218e+002
-# -Range: 0-300
-
-4.0000 Cl- + 1.0000 Ce+++ = CeCl4-
- -llnl_gamma 4.0
- log_k -0.7447
- -delta_H -1.95811 kJ/mol # Calculated enthalpy of reaction CeCl4-
-# Enthalpy of formation: -327.6 kcal/mol
- -analytic 5.2230e+002 1.3490e-001 -1.4859e+004 -2.0747e+002 -2.3201e+002
-# -Range: 0-300
-
-1.0000 ClO4- + 1.0000 Ce+++ = CeClO4++
- -llnl_gamma 4.5
- log_k +1.9102
- -delta_H -49.0197 kJ/mol # Calculated enthalpy of reaction CeClO4+2
-# Enthalpy of formation: -210.026 kcal/mol
- -analytic -1.3609e+001 1.8115e-002 3.9869e+003 -1.3033e+000 6.2215e+001
-# -Range: 0-300
-
-1.0000 F- + 1.0000 Ce+++ = CeF++
- -llnl_gamma 4.5
- log_k +4.2221
- -delta_H 23.2212 kJ/mol # Calculated enthalpy of reaction CeF+2
-# Enthalpy of formation: -242 kcal/mol
- -analytic 1.0303e+002 4.1730e-002 -2.8424e+003 -4.1094e+001 -4.4383e+001
-# -Range: 0-300
-
-2.0000 F- + 1.0000 Ce+++ = CeF2+
- -llnl_gamma 4.0
- log_k +7.2714
- -delta_H 15.0624 kJ/mol # Calculated enthalpy of reaction CeF2+
-# Enthalpy of formation: -324.1 kcal/mol
- -analytic 2.5063e+002 8.5224e-002 -6.2219e+003 -1.0017e+002 -9.7160e+001
-# -Range: 0-300
-
-3.0000 F- + 1.0000 Ce+++ = CeF3
- -llnl_gamma 3.0
- log_k +9.5144
- -delta_H -6.0668 kJ/mol # Calculated enthalpy of reaction CeF3
-# Enthalpy of formation: -409.3 kcal/mol
- -analytic 4.6919e+002 1.3664e-001 -1.1745e+004 -1.8629e+002 -1.8340e+002
-# -Range: 0-300
-
-4.0000 F- + 1.0000 Ce+++ = CeF4-
- -llnl_gamma 4.0
- log_k +11.3909
- -delta_H -45.6056 kJ/mol # Calculated enthalpy of reaction CeF4-
-# Enthalpy of formation: -498.9 kcal/mol
- -analytic 5.3522e+002 1.3856e-001 -1.2722e+004 -2.1112e+002 -1.9868e+002
-# -Range: 0-300
-
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Ce+++ = CeH2PO4++
- -llnl_gamma 4.5
- log_k +9.6684
- -delta_H -16.2548 kJ/mol # Calculated enthalpy of reaction CeH2PO4+2
-# Enthalpy of formation: -480.1 kcal/mol
- -analytic 1.1338e+002 6.3771e-002 5.2908e+001 -4.9649e+001 7.9189e-001
-# -Range: 0-300
-
-1.0000 HCO3- + 1.0000 Ce+++ = CeHCO3++
- -llnl_gamma 4.5
- log_k +1.9190
- -delta_H 8.77803 kJ/mol # Calculated enthalpy of reaction CeHCO3+2
-# Enthalpy of formation: -330.2 kcal/mol
- -analytic 4.4441e+001 3.2077e-002 -3.0714e+002 -2.0622e+001 -4.8060e+000
-# -Range: 0-300
-
-1.0000 HPO4-- + 1.0000 Ce+++ = CeHPO4+
- -llnl_gamma 4.0
- log_k +5.2000
- -delta_H 0 # Not possible to calculate enthalpy of reaction CeHPO4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 IO3- + 1.0000 Ce+++ = CeIO3++
- -llnl_gamma 4.5
- log_k +1.9000
- -delta_H -21.1627 kJ/mol # Calculated enthalpy of reaction CeIO3+2
-# Enthalpy of formation: -225.358 kcal/mol
- -analytic 3.3756e+001 2.8528e-002 1.2847e+003 -1.8042e+001 2.0036e+001
-# -Range: 0-300
-
-1.0000 NO3- + 1.0000 Ce+++ = CeNO3++
- -llnl_gamma 4.5
- log_k +1.3143
- -delta_H -26.6563 kJ/mol # Calculated enthalpy of reaction CeNO3+2
-# Enthalpy of formation: -223.2 kcal/mol
- -analytic 2.2772e+001 2.5931e-002 1.9950e+003 -1.4490e+001 3.1124e+001
-# -Range: 0-300
-
-1.0000 H2O + 1.0000 Ce+++ = CeO+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -16.4103
- -delta_H 112.202 kJ/mol # Calculated enthalpy of reaction CeO+
-# Enthalpy of formation: -208.9 kcal/mol
- -analytic 1.9881e+002 3.1302e-002 -1.4331e+004 -7.1323e+001 -2.2368e+002
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Ce+++ = CeO2- +4.0000 H+
- -llnl_gamma 4.0
- log_k -38.758
- -delta_H 308.503 kJ/mol # Calculated enthalpy of reaction CeO2-
-# Enthalpy of formation: -230.3 kcal/mol
- -analytic 1.0059e+002 3.4824e-003 -1.5873e+004 -3.3056e+001 -4.7656e+005
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Ce+++ = CeO2H +3.0000 H+
- -llnl_gamma 3.0
- log_k -26.1503
- -delta_H 228.17 kJ/mol # Calculated enthalpy of reaction CeO2H
-# Enthalpy of formation: -249.5 kcal/mol
- -analytic 3.5650e+002 4.6708e-002 -2.4320e+004 -1.2731e+002 -3.7959e+002
-# -Range: 0-300
-
-1.0000 H2O + 1.0000 Ce+++ = CeOH++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -8.4206
- -delta_H 73.2911 kJ/mol # Calculated enthalpy of reaction CeOH+2
-# Enthalpy of formation: -218.2 kcal/mol
- -analytic 7.5809e+001 1.2863e-002 -6.7244e+003 -2.6473e+001 -1.0495e+002
-# -Range: 0-300
-
-1.0000 H2O + 1.0000 Ce++++ = CeOH+++ +1.0000 H+
- -llnl_gamma 5.0
- log_k +3.2049
- -delta_H 0 # Not possible to calculate enthalpy of reaction CeOH+3
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 HPO4-- + 1.0000 Ce+++ = CePO4 +1.0000 H+
- -llnl_gamma 3.0
- log_k -0.9718
- -delta_H 0 # Not possible to calculate enthalpy of reaction CePO4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 SO4-- + 1.0000 Ce+++ = CeSO4+
- -llnl_gamma 4.0
- log_k -3.687
- -delta_H 19.2464 kJ/mol # Calculated enthalpy of reaction CeSO4+
-# Enthalpy of formation: -380.2 kcal/mol
- -analytic 3.0156e+002 8.5149e-002 -1.1025e+004 -1.1866e+002 -1.7213e+002
-# -Range: 0-300
-
-2.0000 HAcetate + 1.0000 Co++ = Co(Acetate)2 +2.0000 H+
- -llnl_gamma 3.0
- log_k -7.1468
- -delta_H -22.4262 kJ/mol # Calculated enthalpy of reaction Co(Acetate)2
-# Enthalpy of formation: -251.46 kcal/mol
- -analytic -2.0661e+001 2.9014e-003 -2.2146e+003 5.1702e+000 6.4968e+005
-# -Range: 0-300
-
-3.0000 HAcetate + 1.0000 Co++ = Co(Acetate)3- +3.0000 H+
- -llnl_gamma 4.0
- log_k -11.281
- -delta_H -48.2415 kJ/mol # Calculated enthalpy of reaction Co(Acetate)3-
-# Enthalpy of formation: -373.73 kcal/mol
- -analytic 6.3384e+001 -4.0669e-003 -1.4715e+004 -1.9518e+001 2.1524e+006
-# -Range: 0-300
-
-2.0000 HS- + 1.0000 Co++ = Co(HS)2
- -llnl_gamma 3.0
- log_k +9.0306
- -delta_H 0 # Not possible to calculate enthalpy of reaction Co(HS)2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H2O + 1.0000 Co++ = Co(OH)2 +2.0000 H+
- -llnl_gamma 3.0
- log_k -18.8
- -delta_H 0 # Not possible to calculate enthalpy of reaction Co(OH)2
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 H2O + 1.0000 Co++ = Co(OH)4-- +4.0000 H+
- -llnl_gamma 4.0
- log_k -45.7803
- -delta_H 0 # Not possible to calculate enthalpy of reaction Co(OH)4-2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 H2O + 2.0000 Co++ = Co2OH+++ +1.0000 H+
- -llnl_gamma 5.0
- log_k -11.2
- -delta_H 0 # Not possible to calculate enthalpy of reaction Co2OH+3
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 H2O + 4.0000 Co++ = Co4(OH)4++++ +4.0000 H+
- -llnl_gamma 5.5
- log_k -30.3803
- -delta_H 0 # Not possible to calculate enthalpy of reaction Co4(OH)4+4
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 Br- + 1.0000 Co++ = CoBr2
- -llnl_gamma 3.0
- log_k -0.0358
- -delta_H -0.56568 kJ/mol # Calculated enthalpy of reaction CoBr2
-# Enthalpy of formation: -301.73 kJ/mol
- -analytic 5.8731e+000 8.0908e-004 -1.8986e+002 -2.2295e+000 -3.2261e+000
-# -Range: 0-200
-
-1.0000 Co++ + 1.0000 HAcetate = CoAcetate+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -3.2985
- -delta_H -8.70272 kJ/mol # Calculated enthalpy of reaction CoAcetate+
-# Enthalpy of formation: -132.08 kcal/mol
- -analytic -5.4858e+000 1.9147e-003 -1.1292e+003 9.0555e-001 2.8223e+005
-# -Range: 0-300
-
-1.0000 Co++ + 1.0000 Cl- = CoCl+
- -llnl_gamma 4.0
- log_k +0.1547
- -delta_H 1.71962 kJ/mol # Calculated enthalpy of reaction CoCl+
-# Enthalpy of formation: -53.422 kcal/mol
- -analytic 1.5234e+002 5.6958e-002 -3.3258e+003 -6.3849e+001 -5.1942e+001
-# -Range: 0-300
-
-1.0000 HS- + 1.0000 Co++ = CoHS+
- -llnl_gamma 4.0
- log_k +5.9813
- -delta_H 0 # Not possible to calculate enthalpy of reaction CoHS+
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 I- + 1.0000 Co++ = CoI2
- -llnl_gamma 3.0
- log_k -0.0944
- -delta_H 3.1774 kJ/mol # Calculated enthalpy of reaction CoI2
-# Enthalpy of formation: -168.785 kJ/mol
- -analytic 3.6029e+001 1.0128e-002 -1.1219e+003 -1.4301e+001 -1.9064e+001
-# -Range: 0-200
-
-1.0000 NO3- + 1.0000 Co++ = CoNO3+
- -llnl_gamma 4.0
- log_k +0.2000
- -delta_H 0 # Not possible to calculate enthalpy of reaction CoNO3+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Co++ + S2O3-- = CoS2O3
- -llnl_gamma 3.0
- log_k 0.8063
- -delta_H 0 # Not possible to calculate enthalpy of reaction CoS2O3
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 SO4-- + 1.0000 Co++ = CoSO4
- -llnl_gamma 3.0
- log_k +0.0436
- -delta_H 0.3842 kJ/mol # Calculated enthalpy of reaction CoSO4
-# Enthalpy of formation: -967.375 kJ/mol
- -analytic 2.4606e+000 1.0086e-003 -6.1450e+001 -1.0148e+000 -1.0444e+000
-# -Range: 0-200
-
-1.0000 SeO4-- + 1.0000 Co++ = CoSeO4
- -llnl_gamma 3.0
- log_k +2.7000
- -delta_H 0 # Not possible to calculate enthalpy of reaction CoSeO4
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H2O + 1.0000 Cr+++ = Cr(OH)2+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -9.7
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cr(OH)2+
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 H2O + 1.0000 Cr+++ = Cr(OH)3 +3.0000 H+
- -llnl_gamma 3.0
- log_k -18
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cr(OH)3
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 H2O + 1.0000 Cr+++ = Cr(OH)4- +4.0000 H+
- -llnl_gamma 4.0
- log_k -27.4
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cr(OH)4-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H2O + 2.0000 Cr+++ = Cr2(OH)2++++ +2.0000 H+
- -llnl_gamma 5.5
- log_k -5.06
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cr2(OH)2+4
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H+ + 2.0000 CrO4-- = Cr2O7-- +1.0000 H2O
- -llnl_gamma 4.0
- log_k +14.5192
- -delta_H -13.8783 kJ/mol # Calculated enthalpy of reaction Cr2O7-2
-# Enthalpy of formation: -356.2 kcal/mol
- -analytic 1.3749e+002 6.5773e-002 -7.9472e+002 -5.6525e+001 -1.2441e+001
-# -Range: 0-300
-
-4.0000 H2O + 3.0000 Cr+++ = Cr3(OH)4+5 +4.0000 H+
- -llnl_gamma 6.0
- log_k -8.15
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cr3(OH)4+5
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Cr+++ + 1.0000 Br- = CrBr++
- -llnl_gamma 4.5
- log_k -2.7813
- -delta_H 33.564 kJ/mol # Calculated enthalpy of reaction CrBr+2
-# Enthalpy of formation: -78.018 kcal/mol
- -analytic 9.4384e+001 3.4704e-002 -3.6750e+003 -3.8461e+001 -5.7373e+001
-# -Range: 0-300
-
-1.0000 Cr+++ + 1.0000 Cl- = CrCl++
- -llnl_gamma 4.5
- log_k -0.149
- -delta_H 0 # Not possible to calculate enthalpy of reaction CrCl+2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 Cl- + 1.0000 Cr+++ = CrCl2+
- -llnl_gamma 4.0
- log_k +0.1596
- -delta_H 41.2919 kJ/mol # Calculated enthalpy of reaction CrCl2+
-# Enthalpy of formation: -126.997 kcal/mol
- -analytic 2.0114e+002 7.3878e-002 -6.2218e+003 -8.1677e+001 -9.7144e+001
-# -Range: 0-300
-
-1.0000 Cl- + 2.000 H+ + 1.0000 CrO4-- = CrO3Cl- + 1.0000 H2O
- -llnl_gamma 4.0
- log_k 7.5270
- -delta_H 0 # Not possible to calculate enthalpy of reaction CrO3Cl-
-# Enthalpy of formation: -0 kcal/mol
- -analytic 2.7423e+002 1.0013e-001 -6.0072e+003 -1.1168e+002 -9.3817e+001
-# -Range: 0-300
-
-1.0000 H2O + 1.0000 Cr+++ = CrOH++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -4
- -delta_H 0 # Not possible to calculate enthalpy of reaction CrOH+2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HAcetate + 1.0000 Cs+ = Cs(Acetate)2- +2.0000 H+
- -llnl_gamma 4.0
- log_k -9.771
- -delta_H 1.2552 kJ/mol # Calculated enthalpy of reaction Cs(Acetate)2-
-# Enthalpy of formation: -293.57 kcal/mol
- -analytic -1.6956e+002 -4.0378e-002 4.5773e+003 6.3241e+001 7.1475e+001
-# -Range: 0-300
-
-1.0000 Cs+ + 1.0000 Br- = CsBr
- -llnl_gamma 3.0
- log_k -0.2712
- -delta_H 10.9621 kJ/mol # Calculated enthalpy of reaction CsBr
-# Enthalpy of formation: -88.09 kcal/mol
- -analytic 1.2064e+002 3.2000e-002 -3.8770e+003 -4.7458e+001 -6.0533e+001
-# -Range: 0-300
-
-1.0000 Cs+ + 1.0000 HAcetate = CsAcetate +1.0000 H+
- -llnl_gamma 3.0
- log_k -4.7352
- -delta_H 6.0668 kJ/mol # Calculated enthalpy of reaction CsAcetate
-# Enthalpy of formation: -176.32 kcal/mol
- -analytic 2.4280e+001 -2.8642e-003 -3.1339e+003 -8.1616e+000 2.2684e+005
-# -Range: 0-300
-
-1.0000 Cs+ + 1.0000 Cl- = CsCl
- -llnl_gamma 3.0
- log_k -0.1385
- -delta_H 2.73215 kJ/mol # Calculated enthalpy of reaction CsCl
-# Enthalpy of formation: -100.95 kcal/mol
- -analytic 1.2472e+002 3.3730e-002 -3.9130e+003 -4.9212e+001 -6.1096e+001
-# -Range: 0-300
-
-1.0000 I- + 1.0000 Cs+ = CsI
- -llnl_gamma 3.0
- log_k +0.2639
- -delta_H -6.56888 kJ/mol # Calculated enthalpy of reaction CsI
-# Enthalpy of formation: -76.84 kcal/mol
- -analytic 1.1555e+002 3.1419e-002 -3.3496e+003 -4.5828e+001 -5.2302e+001
-# -Range: 0-300
-
-2.0000 HAcetate + 1.0000 Cu++ = Cu(Acetate)2 +2.0000 H+
- -llnl_gamma 3.0
- log_k -5.8824
- -delta_H -25.899 kJ/mol # Calculated enthalpy of reaction Cu(Acetate)2
-# Enthalpy of formation: -222.69 kcal/mol
- -analytic -2.6689e+001 1.8048e-003 -1.8244e+003 7.7008e+000 6.5408e+005
-# -Range: 0-300
-
-2.0000 HAcetate + 1.0000 Cu+ = Cu(Acetate)2- +2.0000 H+
- -llnl_gamma 4.0
- log_k -9.2139
- -delta_H -19.5476 kJ/mol # Calculated enthalpy of reaction Cu(Acetate)2-
-# Enthalpy of formation: -219.74 kcal/mol
- -analytic -3.2712e+002 -5.9087e-002 1.1386e+004 1.2017e+002 1.7777e+002
-# -Range: 0-300
-
-3.0000 HAcetate + 1.0000 Cu++ = Cu(Acetate)3- +3.0000 H+
- -llnl_gamma 4.0
- log_k -9.3788
- -delta_H -53.2205 kJ/mol # Calculated enthalpy of reaction Cu(Acetate)3-
-# Enthalpy of formation: -345.32 kcal/mol
- -analytic 3.9475e+001 -6.2867e-003 -1.3233e+004 -1.0643e+001 2.1121e+006
-# -Range: 0-300
-
-2.0000 HCO3- + 1.0000 Cu++ = Cu(CO3)2-- +2.0000 H+
- -llnl_gamma 4.0
- log_k -10.4757
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cu(CO3)2-2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 NH3 + 1.0000 Cu++ = Cu(NH3)2++
- -llnl_gamma 4.5
- log_k +7.4512
- -delta_H -45.1269 kJ/mol # Calculated enthalpy of reaction Cu(NH3)2+2
-# Enthalpy of formation: -142.112 kJ/mol
- -analytic 1.1526e+002 4.8192e-003 -2.5139e+003 -4.0733e+001 -3.9261e+001
-# -Range: 0-300
-
-3.0000 NH3 + 1.0000 Cu++ = Cu(NH3)3++
- -llnl_gamma 4.5
- log_k +10.2719
- -delta_H -67.2779 kJ/mol # Calculated enthalpy of reaction Cu(NH3)3+2
-# Enthalpy of formation: -245.6 kJ/mol
- -analytic 1.3945e+002 -3.8236e-004 -2.8137e+003 -4.8336e+001 -4.3946e+001
-# -Range: 0-300
-
-2.0000 NO2- + 1.0000 Cu++ = Cu(NO2)2
- -llnl_gamma 3.0
- log_k +3.0300
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cu(NO2)2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Cu+ + 1.0000 HAcetate = CuAcetate +1.0000 H+
- -llnl_gamma 3.0
- log_k -4.4274
- -delta_H -4.19237 kJ/mol # Calculated enthalpy of reaction CuAcetate
-# Enthalpy of formation: -99.97 kcal/mol
- -analytic 6.3784e+000 -4.5464e-004 -1.9995e+003 -2.8359e+000 2.7224e+005
-# -Range: 0-300
-
-1.0000 Cu++ + 1.0000 HAcetate = CuAcetate+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -2.5252
- -delta_H -11.3805 kJ/mol # Calculated enthalpy of reaction CuAcetate+
-# Enthalpy of formation: -103.12 kcal/mol
- -analytic -1.4930e+001 5.1278e-004 -3.4874e+002 4.3605e+000 2.3504e+005
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 HCO3- + 1.0000 Cu++ = CuCO3(OH)2-- +3.0000 H+
- -llnl_gamma 4.0
- log_k -23.444
- -delta_H 0 # Not possible to calculate enthalpy of reaction CuCO3(OH)2-2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 HCO3- + 1.0000 Cu++ = CuCO3 +1.0000 H+
- -llnl_gamma 3.0
- log_k -3.3735
- -delta_H 0 # Not possible to calculate enthalpy of reaction CuCO3
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Cu++ + 1.0000 Cl- = CuCl+
- -llnl_gamma 4.0
- log_k +0.4370
- -delta_H 0 # Not possible to calculate enthalpy of reaction CuCl+
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 Cl- + 1.0000 Cu++ = CuCl2
- -llnl_gamma 3.0
- log_k +0.1585
- -delta_H 0 # Not possible to calculate enthalpy of reaction CuCl2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 Cl- + 1.0000 Cu+ = CuCl2-
- -llnl_gamma 4.0
- log_k +4.8212
- -delta_H 0 # Not possible to calculate enthalpy of reaction CuCl2-
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 Cl- + 1.0000 Cu+ = CuCl3--
- -llnl_gamma 4.0
- log_k +5.6289
- -delta_H 0 # Not possible to calculate enthalpy of reaction CuCl3-2
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 Cl- + 1.0000 Cu++ = CuCl4--
- -llnl_gamma 4.0
- log_k -4.5681
- -delta_H 0 # Not possible to calculate enthalpy of reaction CuCl4-2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 F- + 1.0000 Cu++ = CuF+
- -llnl_gamma 4.0
- log_k +1.2000
- -delta_H 0 # Not possible to calculate enthalpy of reaction CuF+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Cu++ = CuH2PO4+
- -llnl_gamma 4.0
- log_k +8.9654
- -delta_H 0 # Not possible to calculate enthalpy of reaction CuH2PO4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 HPO4-- + 1.0000 Cu++ = CuHPO4
- -llnl_gamma 3.0
- log_k +4.0600
- -delta_H 0 # Not possible to calculate enthalpy of reaction CuHPO4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 NH3 + 1.0000 Cu++ = CuNH3++
- -llnl_gamma 4.5
- log_k +4.0400
- -delta_H 0 # Not possible to calculate enthalpy of reaction CuNH3+2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 NO2- + 1.0000 Cu++ = CuNO2+
- -llnl_gamma 4.0
- log_k +2.0200
- -delta_H 0 # Not possible to calculate enthalpy of reaction CuNO2+
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H2O + 1.0000 Cu++ = CuO2-- +4.0000 H+
- -llnl_gamma 4.0
- log_k -39.4497
- -delta_H 0 # Not possible to calculate enthalpy of reaction CuO2-2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 H2O + 1.0000 Cu++ = CuOH+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -7.2875
- -delta_H 0 # Not possible to calculate enthalpy of reaction CuOH+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 HPO4-- + 1.0000 Cu++ = CuPO4- +1.0000 H+
- -llnl_gamma 4.0
- log_k -2.4718
- -delta_H 0 # Not possible to calculate enthalpy of reaction CuPO4-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 SO4-- + 1.0000 Cu++ = CuSO4
- -llnl_gamma 0.0
- log_k +2.3600
- -delta_H 0 # Not possible to calculate enthalpy of reaction CuSO4
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HAcetate + 1.0000 Dy+++ = Dy(Acetate)2+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -4.9625
- -delta_H -29.3298 kJ/mol # Calculated enthalpy of reaction Dy(Acetate)2+
-# Enthalpy of formation: -405.71 kcal/mol
- -analytic -2.7249e+001 2.7507e-003 -1.7500e+003 7.9356e+000 6.8668e+005
-# -Range: 0-300
-
-3.0000 HAcetate + 1.0000 Dy+++ = Dy(Acetate)3 +3.0000 H+
- -llnl_gamma 3.0
- log_k -8.3489
- -delta_H -49.4549 kJ/mol # Calculated enthalpy of reaction Dy(Acetate)3
-# Enthalpy of formation: -526.62 kcal/mol
- -analytic -2.4199e+001 6.2065e-003 -2.8937e+003 5.0176e+000 1.0069e+006
-# -Range: 0-300
-
-2.0000 HCO3- + 1.0000 Dy+++ = Dy(CO3)2- +2.0000 H+
- -llnl_gamma 4.0
- log_k -7.4576
- -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(CO3)2-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Dy+++ = Dy(HPO4)2-
- -llnl_gamma 4.0
- log_k +9.8000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(HPO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-# Redundant with DyO2-
-#4.0000 H2O + 1.0000 Dy+++ = Dy(OH)4- +4.0000 H+
-# -llnl_gamma 4.0
-# log_k -33.4803
-# -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(OH)4-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Dy+++ = Dy(PO4)2--- +2.0000 H+
- -llnl_gamma 4.0
- log_k -3.4437
- -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(PO4)2-3
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 SO4-- + 1.0000 Dy+++ = Dy(SO4)2-
- -llnl_gamma 4.0
- log_k +5.0000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(SO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Dy+++ + 1.0000 HAcetate = DyAcetate++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -2.1037
- -delta_H -14.8532 kJ/mol # Calculated enthalpy of reaction DyAcetate+2
-# Enthalpy of formation: -286.15 kcal/mol
- -analytic -1.3635e+001 1.7329e-003 -9.4636e+002 4.0900e+000 3.6282e+005
-# -Range: 0-300
-
-1.0000 HCO3- + 1.0000 Dy+++ = DyCO3+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -2.3324
- -delta_H 89.1108 kJ/mol # Calculated enthalpy of reaction DyCO3+
-# Enthalpy of formation: -310.1 kcal/mol
- -analytic 2.3742e+002 5.4342e-002 -6.9953e+003 -9.3949e+001 -1.0922e+002
-# -Range: 0-300
-
-1.0000 Dy+++ + 1.0000 Cl- = DyCl++
- -llnl_gamma 4.5
- log_k +0.2353
- -delta_H 13.5269 kJ/mol # Calculated enthalpy of reaction DyCl+2
-# Enthalpy of formation: -203.2 kcal/mol
- -analytic 6.9134e+001 3.7129e-002 -1.3839e+003 -3.0432e+001 -2.1615e+001
-# -Range: 0-300
-
-2.0000 Cl- + 1.0000 Dy+++ = DyCl2+
- -llnl_gamma 4.0
- log_k -0.0425
- -delta_H 17.4305 kJ/mol # Calculated enthalpy of reaction DyCl2+
-# Enthalpy of formation: -242.2 kcal/mol
- -analytic 1.8868e+002 7.7901e-002 -4.3528e+003 -7.9735e+001 -6.7978e+001
-# -Range: 0-300
-
-3.0000 Cl- + 1.0000 Dy+++ = DyCl3
- -llnl_gamma 3.0
- log_k -0.4669
- -delta_H 8.78222 kJ/mol # Calculated enthalpy of reaction DyCl3
-# Enthalpy of formation: -284.2 kcal/mol
- -analytic 3.6761e+002 1.2471e-001 -9.0651e+003 -1.5147e+002 -1.4156e+002
-# -Range: 0-300
-
-4.0000 Cl- + 1.0000 Dy+++ = DyCl4-
- -llnl_gamma 4.0
- log_k -0.8913
- -delta_H -14.0917 kJ/mol # Calculated enthalpy of reaction DyCl4-
-# Enthalpy of formation: -329.6 kcal/mol
- -analytic 3.9134e+002 1.2288e-001 -9.2351e+003 -1.6078e+002 -1.4422e+002
-# -Range: 0-300
-
-1.0000 F- + 1.0000 Dy+++ = DyF++
- -llnl_gamma 4.5
- log_k +4.6619
- -delta_H 23.2212 kJ/mol # Calculated enthalpy of reaction DyF+2
-# Enthalpy of formation: -241.1 kcal/mol
- -analytic 9.1120e+001 4.1193e-002 -2.3302e+003 -3.6734e+001 -3.6388e+001
-# -Range: 0-300
-
-2.0000 F- + 1.0000 Dy+++ = DyF2+
- -llnl_gamma 4.0
- log_k +8.1510
- -delta_H 12.552 kJ/mol # Calculated enthalpy of reaction DyF2+
-# Enthalpy of formation: -323.8 kcal/mol
- -analytic 2.1325e+002 8.2483e-002 -4.5864e+003 -8.6587e+001 -7.1629e+001
-# -Range: 0-300
-
-3.0000 F- + 1.0000 Dy+++ = DyF3
- -llnl_gamma 3.0
- log_k +10.7605
- -delta_H -11.9244 kJ/mol # Calculated enthalpy of reaction DyF3
-# Enthalpy of formation: -409.8 kcal/mol
- -analytic 3.9766e+002 1.3143e-001 -8.5607e+003 -1.6056e+002 -1.3370e+002
-# -Range: 0-300
-
-4.0000 F- + 1.0000 Dy+++ = DyF4-
- -llnl_gamma 4.0
- log_k +12.8569
- -delta_H -57.3208 kJ/mol # Calculated enthalpy of reaction DyF4-
-# Enthalpy of formation: -500.8 kcal/mol
- -analytic 4.1672e+002 1.2922e-001 -7.4445e+003 -1.6867e+002 -1.1629e+002
-# -Range: 0-300
-
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Dy+++ = DyH2PO4++
- -llnl_gamma 4.5
- log_k +9.3751
- -delta_H -18.3468 kJ/mol # Calculated enthalpy of reaction DyH2PO4+2
-# Enthalpy of formation: -479.7 kcal/mol
- -analytic 9.8183e+001 6.2578e-002 7.1784e+002 -4.4383e+001 1.1172e+001
-# -Range: 0-300
-
-1.0000 HCO3- + 1.0000 Dy+++ = DyHCO3++
- -llnl_gamma 4.5
- log_k +1.6991
- -delta_H 7.10443 kJ/mol # Calculated enthalpy of reaction DyHCO3+2
-# Enthalpy of formation: -329.7 kcal/mol
- -analytic 2.8465e+001 3.0703e-002 3.9229e+002 -1.5036e+001 6.1127e+000
-# -Range: 0-300
-
-1.0000 HPO4-- + 1.0000 Dy+++ = DyHPO4+
- -llnl_gamma 4.0
- log_k +5.8000
- -delta_H 0 # Not possible to calculate enthalpy of reaction DyHPO4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 NO3- + 1.0000 Dy+++ = DyNO3++
- -llnl_gamma 4.5
- log_k +0.1415
- -delta_H -30.4219 kJ/mol # Calculated enthalpy of reaction DyNO3+2
-# Enthalpy of formation: -223.2 kcal/mol
- -analytic 6.4353e+000 2.4556e-002 2.5866e+003 -8.9975e+000 4.0359e+001
-# -Range: 0-300
-
-1.0000 H2O + 1.0000 Dy+++ = DyO+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -16.1171
- -delta_H 108.018 kJ/mol # Calculated enthalpy of reaction DyO+
-# Enthalpy of formation: -209 kcal/mol
- -analytic 1.9069e+002 3.0358e-002 -1.3796e+004 -6.8532e+001 -2.1532e+002
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Dy+++ = DyO2- +4.0000 H+
- -llnl_gamma 4.0
- log_k -33.4804
- -delta_H 273.776 kJ/mol # Calculated enthalpy of reaction DyO2-
-# Enthalpy of formation: -237.7 kcal/mol
- -analytic 7.7395e+001 4.4204e-004 -1.3570e+004 -2.4546e+001 -4.2320e+005
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Dy+++ = DyO2H +3.0000 H+
- -llnl_gamma 3.0
- log_k -24.8309
- -delta_H 217.71 kJ/mol # Calculated enthalpy of reaction DyO2H
-# Enthalpy of formation: -251.1 kcal/mol
- -analytic 3.3576e+002 4.6004e-002 -2.2868e+004 -1.2027e+002 -3.5693e+002
-# -Range: 0-300
-
-1.0000 H2O + 1.0000 Dy+++ = DyOH++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -7.8342
- -delta_H 76.6383 kJ/mol # Calculated enthalpy of reaction DyOH+2
-# Enthalpy of formation: -216.5 kcal/mol
- -analytic 7.0856e+001 1.2473e-002 -6.2419e+003 -2.4841e+001 -9.7420e+001
-# -Range: 0-300
-
-1.0000 HPO4-- + 1.0000 Dy+++ = DyPO4 +1.0000 H+
- -llnl_gamma 3.0
- log_k +0.1782
- -delta_H 0 # Not possible to calculate enthalpy of reaction DyPO4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 SO4-- + 1.0000 Dy+++ = DySO4+
- -llnl_gamma 4.0
- log_k +3.6430
- -delta_H 20.5016 kJ/mol # Calculated enthalpy of reaction DySO4+
-# Enthalpy of formation: -379 kcal/mol
- -analytic 3.0672e+002 8.6459e-002 -9.0386e+003 -1.2063e+002 -1.4113e+002
-# -Range: 0-300
-
-2.0000 HAcetate + 1.0000 Er+++ = Er(Acetate)2+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -4.9844
- -delta_H -32.8026 kJ/mol # Calculated enthalpy of reaction Er(Acetate)2+
-# Enthalpy of formation: -408.54 kcal/mol
- -analytic -3.1458e+001 1.4715e-003 -1.0556e+003 9.1586e+000 6.1669e+005
-# -Range: 0-300
-
-3.0000 HAcetate + 1.0000 Er+++ = Er(Acetate)3 +3.0000 H+
- -llnl_gamma 3.0
- log_k -8.3783
- -delta_H -55.187 kJ/mol # Calculated enthalpy of reaction Er(Acetate)3
-# Enthalpy of formation: -529.99 kcal/mol
- -analytic -2.1575e+001 5.9740e-003 -2.0489e+003 3.3624e+000 8.8933e+005
-# -Range: 0-300
-
-2.0000 HCO3- + 1.0000 Er+++ = Er(CO3)2- +2.0000 H+
- -llnl_gamma 4.0
- log_k -7.2576
- -delta_H 0 # Not possible to calculate enthalpy of reaction Er(CO3)2-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Er+++ = Er(HPO4)2-
- -llnl_gamma 4.0
- log_k +10.0000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Er(HPO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-# Redundant with ErO2-
-#4.0000 H2O + 1.0000 Er+++ = Er(OH)4- +4.0000 H+
-# -llnl_gamma 4.0
-# log_k -32.5803
-# -delta_H 0 # Not possible to calculate enthalpy of reaction Er(OH)4-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Er+++ = Er(PO4)2--- +2.0000 H+
- -llnl_gamma 4.0
- log_k -3.2437
- -delta_H 0 # Not possible to calculate enthalpy of reaction Er(PO4)2-3
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 SO4-- + 1.0000 Er+++ = Er(SO4)2-
- -llnl_gamma 4.0
- log_k +5.0000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Er(SO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Er+++ + 1.0000 HAcetate = ErAcetate++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -2.1184
- -delta_H -16.4013 kJ/mol # Calculated enthalpy of reaction ErAcetate+2
-# Enthalpy of formation: -288.52 kcal/mol
- -analytic -1.2519e+001 1.5558e-003 -8.5344e+002 3.5918e+000 3.4888e+005
-# -Range: 0-300
-
-1.0000 HCO3- + 1.0000 Er+++ = ErCO3+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -2.1858
- -delta_H 87.0188 kJ/mol # Calculated enthalpy of reaction ErCO3+
-# Enthalpy of formation: -312.6 kcal/mol
- -analytic 2.3838e+002 5.4549e-002 -6.9433e+003 -9.4373e+001 -1.0841e+002
-# -Range: 0-300
-
-1.0000 Er+++ + 1.0000 Cl- = ErCl++
- -llnl_gamma 4.5
- log_k +0.3086
- -delta_H 12.6901 kJ/mol # Calculated enthalpy of reaction ErCl+2
-# Enthalpy of formation: -205.4 kcal/mol
- -analytic 7.4113e+001 3.7462e-002 -1.5300e+003 -3.2257e+001 -2.3896e+001
-# -Range: 0-300
-
-2.0000 Cl- + 1.0000 Er+++ = ErCl2+
- -llnl_gamma 4.0
- log_k -0.0425
- -delta_H 15.3385 kJ/mol # Calculated enthalpy of reaction ErCl2+
-# Enthalpy of formation: -244.7 kcal/mol
- -analytic 2.0259e+002 7.8907e-002 -4.8271e+003 -8.4835e+001 -7.5382e+001
-# -Range: 0-300
-
-3.0000 Cl- + 1.0000 Er+++ = ErCl3
- -llnl_gamma 3.0
- log_k -0.4669
- -delta_H 5.01662 kJ/mol # Calculated enthalpy of reaction ErCl3
-# Enthalpy of formation: -287.1 kcal/mol
- -analytic 3.9721e+002 1.2757e-001 -1.0045e+004 -1.6244e+002 -1.5686e+002
-# -Range: 0-300
-
-4.0000 Cl- + 1.0000 Er+++ = ErCl4-
- -llnl_gamma 4.0
- log_k -0.8913
- -delta_H -20.7861 kJ/mol # Calculated enthalpy of reaction ErCl4-
-# Enthalpy of formation: -333.2 kcal/mol
- -analytic 4.3471e+002 1.2627e-001 -1.0669e+004 -1.7677e+002 -1.6660e+002
-# -Range: 0-300
-
-1.0000 F- + 1.0000 Er+++ = ErF++
- -llnl_gamma 4.5
- log_k +4.7352
- -delta_H 24.058 kJ/mol # Calculated enthalpy of reaction ErF+2
-# Enthalpy of formation: -242.9 kcal/mol
- -analytic 9.7079e+001 4.1707e-002 -2.6028e+003 -3.8805e+001 -4.0643e+001
-# -Range: 0-300
-
-2.0000 F- + 1.0000 Er+++ = ErF2+
- -llnl_gamma 4.0
- log_k +8.2976
- -delta_H 12.9704 kJ/mol # Calculated enthalpy of reaction ErF2+
-# Enthalpy of formation: -325.7 kcal/mol
- -analytic 2.2892e+002 8.3842e-002 -5.2174e+003 -9.2172e+001 -8.1481e+001
-# -Range: 0-300
-
-3.0000 F- + 1.0000 Er+++ = ErF3
- -llnl_gamma 3.0
- log_k +10.9071
- -delta_H -12.3428 kJ/mol # Calculated enthalpy of reaction ErF3
-# Enthalpy of formation: -411.9 kcal/mol
- -analytic 4.2782e+002 1.3425e-001 -9.7064e+003 -1.7148e+002 -1.5158e+002
-# -Range: 0-300
-
-4.0000 F- + 1.0000 Er+++ = ErF4-
- -llnl_gamma 4.0
- log_k +13.0768
- -delta_H -60.2496 kJ/mol # Calculated enthalpy of reaction ErF4-
-# Enthalpy of formation: -503.5 kcal/mol
- -analytic 4.6524e+002 1.3372e-001 -9.1895e+003 -1.8636e+002 -1.4353e+002
-# -Range: 0-300
-
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Er+++ = ErH2PO4++
- -llnl_gamma 4.5
- log_k +9.4484
- -delta_H -20.4388 kJ/mol # Calculated enthalpy of reaction ErH2PO4+2
-# Enthalpy of formation: -482.2 kcal/mol
- -analytic 1.0254e+002 6.2786e-002 6.3590e+002 -4.6029e+001 9.8920e+000
-# -Range: 0-300
-
-1.0000 HCO3- + 1.0000 Er+++ = ErHCO3++
- -llnl_gamma 4.5
- log_k +1.7724
- -delta_H 5.01243 kJ/mol # Calculated enthalpy of reaction ErHCO3+2
-# Enthalpy of formation: -332.2 kcal/mol
- -analytic 3.2450e+001 3.0822e-002 3.1601e+002 -1.6528e+001 4.9212e+000
-# -Range: 0-300
-
-1.0000 HPO4-- + 1.0000 Er+++ = ErHPO4+
- -llnl_gamma 4.0
- log_k +5.9000
- -delta_H 0 # Not possible to calculate enthalpy of reaction ErHPO4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 NO3- + 1.0000 Er+++ = ErNO3++
- -llnl_gamma 4.5
- log_k +0.1415
- -delta_H -33.7691 kJ/mol # Calculated enthalpy of reaction ErNO3+2
-# Enthalpy of formation: -226 kcal/mol
- -analytic 1.0381e+001 2.4710e-002 2.5752e+003 -1.0596e+001 4.0181e+001
-# -Range: 0-300
-
-1.0000 H2O + 1.0000 Er+++ = ErO+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -15.9705
- -delta_H 105.508 kJ/mol # Calculated enthalpy of reaction ErO+
-# Enthalpy of formation: -211.6 kcal/mol
- -analytic 1.7556e+002 2.8655e-002 -1.3134e+004 -6.3050e+001 -2.0499e+002
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Er+++ = ErO2- +4.0000 H+
- -llnl_gamma 4.0
- log_k -32.6008
- -delta_H 266.245 kJ/mol # Calculated enthalpy of reaction ErO2-
-# Enthalpy of formation: -241.5 kcal/mol
- -analytic 1.4987e+002 9.1241e-003 -1.8521e+004 -4.9740e+001 -2.8905e+002
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Er+++ = ErO2H +3.0000 H+
- -llnl_gamma 3.0
- log_k -24.3178
- -delta_H 212.689 kJ/mol # Calculated enthalpy of reaction ErO2H
-# Enthalpy of formation: -254.3 kcal/mol
- -analytic 3.1493e+002 4.4381e-002 -2.1821e+004 -1.1287e+002 -3.4059e+002
-# -Range: 0-300
-
-1.0000 H2O + 1.0000 Er+++ = ErOH++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -7.7609
- -delta_H 74.5463 kJ/mol # Calculated enthalpy of reaction ErOH+2
-# Enthalpy of formation: -219 kcal/mol
- -analytic 5.7142e+001 1.0986e-002 -5.6684e+003 -1.9867e+001 -8.8467e+001
-# -Range: 0-300
-
-1.0000 HPO4-- + 1.0000 Er+++ = ErPO4 +1.0000 H+
- -llnl_gamma 3.0
- log_k +0.3782
- -delta_H 0 # Not possible to calculate enthalpy of reaction ErPO4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 SO4-- + 1.0000 Er+++ = ErSO4+
- -llnl_gamma 4.0
- log_k +3.5697
- -delta_H 20.3008 kJ/mol # Calculated enthalpy of reaction ErSO4+
-# Enthalpy of formation: -381.048 kcal/mol
- -analytic 3.0363e+002 8.5667e-002 -8.9667e+003 -1.1942e+002 -1.4001e+002
-# -Range: 0-300
-
-2.0000 HAcetate + 1.0000 Eu+++ = Eu(Acetate)2+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -4.6912
- -delta_H -28.3257 kJ/mol # Calculated enthalpy of reaction Eu(Acetate)2+
-# Enthalpy of formation: -383.67 kcal/mol
- -analytic -2.7589e+001 1.5772e-003 -1.1008e+003 7.9899e+000 5.6652e+005
-# -Range: 0-300
-
-3.0000 HAcetate + 1.0000 Eu+++ = Eu(Acetate)3 +3.0000 H+
- -llnl_gamma 3.0
- log_k -7.9824
- -delta_H -47.3629 kJ/mol # Calculated enthalpy of reaction Eu(Acetate)3
-# Enthalpy of formation: -504.32 kcal/mol
- -analytic -3.7470e+001 1.9276e-003 -1.0318e+003 9.7078e+000 7.4558e+005
-# -Range: 0-300
-
-2.0000 HCO3- + 1.0000 Eu+++ = Eu(CO3)2- +2.0000 H+
- -llnl_gamma 4.0
- log_k -8.3993
- -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(CO3)2-
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 HCO3- + 1.0000 Eu+++ = Eu(CO3)3--- +3.0000 H+
- -llnl_gamma 4.0
- log_k -16.8155
- -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(CO3)3-3
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Eu+++ = Eu(HPO4)2-
- -llnl_gamma 4.0
- log_k +9.6000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(HPO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-# Redundant with EuO+
-#2.0000 H2O + 1.0000 Eu+++ = Eu(OH)2+ +2.0000 H+
-# -llnl_gamma 4.0
-# log_k -14.8609
-# -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)2+
-## Enthalpy of formation: -0 kcal/mol
-
-2.0000 H2O + 1.0000 HCO3- + 1.0000 Eu+++ = Eu(OH)2CO3- +3.0000 H+
- -llnl_gamma 4.0
- log_k -17.8462
- -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)2CO3-
-# Enthalpy of formation: -0 kcal/mol
-
-# Redundant with EuO2H
-#3.0000 H2O + 1.0000 Eu+++ = Eu(OH)3 +3.0000 H+
-# -llnl_gamma 3.0
-# log_k -24.1253
-# -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)3
-## Enthalpy of formation: -0 kcal/mol
-
-# Redundant with EuO2-
-#4.0000 H2O + 1.0000 Eu+++ = Eu(OH)4- +4.0000 H+
-# -llnl_gamma 4.0
-# log_k -36.5958
-# -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)4-
-## Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Eu+++ = Eu(PO4)2--- +2.0000 H+
- -llnl_gamma 4.0
- log_k -3.9837
- -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(PO4)2-3
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 SO4-- + 1.0000 Eu+++ = Eu(SO4)2-
- -llnl_gamma 4.0
- log_k +5.4693
- -delta_H 25.627 kJ/mol # Calculated enthalpy of reaction Eu(SO4)2-
-# Enthalpy of formation: -2399 kJ/mol
- -analytic 4.5178e+002 1.2285e-001 -1.3400e+004 -1.7697e+002 -2.0922e+002
-# -Range: 0-300
-
-2.0000 H2O + 2.0000 Eu+++ = Eu2(OH)2++++ +2.0000 H+
- -llnl_gamma 5.5
- log_k -6.9182
- -delta_H 0 # Not possible to calculate enthalpy of reaction Eu2(OH)2+4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Eu+++ + 1.0000 Br- = EuBr++
- -llnl_gamma 4.5
- log_k +0.5572
- -delta_H 0 # Not possible to calculate enthalpy of reaction EuBr+2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 Br- + 1.0000 Eu+++ = EuBr2+
- -llnl_gamma 4.0
- log_k +0.2145
- -delta_H 0 # Not possible to calculate enthalpy of reaction EuBr2+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Eu+++ + 1.0000 BrO3- = EuBrO3++
- -llnl_gamma 4.5
- log_k +4.5823
- -delta_H 0 # Not possible to calculate enthalpy of reaction EuBrO3+2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Eu+++ + 1.0000 HAcetate = EuAcetate++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -1.9571
- -delta_H -14.5603 kJ/mol # Calculated enthalpy of reaction EuAcetate+2
-# Enthalpy of formation: -264.28 kcal/mol
- -analytic -1.5090e+001 1.0352e-003 -6.4435e+002 4.6225e+000 3.1649e+005
-# -Range: 0-300
-
-1.0000 HCO3- + 1.0000 Eu+++ = EuCO3+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -2.4057
- -delta_H 90.7844 kJ/mol # Calculated enthalpy of reaction EuCO3+
-# Enthalpy of formation: -287.9 kcal/mol
- -analytic 2.3548e+002 5.3819e-002 -6.9908e+003 -9.3137e+001 -1.0915e+002
-# -Range: 0-300
-
-1.0000 Eu++ + 1.0000 Cl- = EuCl+
- -llnl_gamma 4.0
- log_k +0.3819
- -delta_H 8.50607 kJ/mol # Calculated enthalpy of reaction EuCl+
-# Enthalpy of formation: -164 kcal/mol
- -analytic 6.8695e+001 3.7619e-002 -1.0809e+003 -3.0665e+001 -1.6887e+001
-# -Range: 0-300
-
-1.0000 Eu+++ + 1.0000 Cl- = EuCl++
- -llnl_gamma 4.5
- log_k +0.3086
- -delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction EuCl+2
-# Enthalpy of formation: -181.3 kcal/mol
- -analytic 7.9275e+001 3.7878e-002 -1.7895e+003 -3.4041e+001 -2.7947e+001
-# -Range: 0-300
-
-2.0000 Cl- + 1.0000 Eu++ = EuCl2
- -llnl_gamma 3.0
- log_k +1.2769
- -delta_H 5.71534 kJ/mol # Calculated enthalpy of reaction EuCl2
-# Enthalpy of formation: -204.6 kcal/mol
- -analytic 1.0474e+002 6.7132e-002 -7.0448e+002 -4.8928e+001 -1.1024e+001
-# -Range: 0-300
-
-2.0000 Cl- + 1.0000 Eu+++ = EuCl2+
- -llnl_gamma 4.0
- log_k -0.0425
- -delta_H 18.6857 kJ/mol # Calculated enthalpy of reaction EuCl2+
-# Enthalpy of formation: -220.1 kcal/mol
- -analytic 2.1758e+002 8.0336e-002 -5.5499e+003 -9.0087e+001 -8.6665e+001
-# -Range: 0-300
-
-3.0000 Cl- + 1.0000 Eu+++ = EuCl3
- -llnl_gamma 3.0
- log_k -0.4669
- -delta_H 11.2926 kJ/mol # Calculated enthalpy of reaction EuCl3
-# Enthalpy of formation: -261.8 kcal/mol
- -analytic 4.2075e+002 1.2890e-001 -1.1288e+004 -1.7043e+002 -1.7627e+002
-# -Range: 0-300
-
-3.0000 Cl- + 1.0000 Eu++ = EuCl3-
- -llnl_gamma 4.0
- log_k +2.0253
- -delta_H -3.76978 kJ/mol # Calculated enthalpy of reaction EuCl3-
-# Enthalpy of formation: -246.8 kcal/mol
- -analytic 1.1546e+001 6.4683e-002 3.7299e+003 -1.6672e+001 5.8196e+001
-# -Range: 0-300
-
-4.0000 Cl- + 1.0000 Eu+++ = EuCl4-
- -llnl_gamma 4.0
- log_k -0.8913
- -delta_H -9.90771 kJ/mol # Calculated enthalpy of reaction EuCl4-
-# Enthalpy of formation: -306.8 kcal/mol
- -analytic 4.8122e+002 1.3081e-001 -1.2950e+004 -1.9302e+002 -2.0222e+002
-# -Range: 0-300
-
-4.0000 Cl- + 1.0000 Eu++ = EuCl4--
- -llnl_gamma 4.0
- log_k +2.8470
- -delta_H -19.9493 kJ/mol # Calculated enthalpy of reaction EuCl4-2
-# Enthalpy of formation: -290.6 kcal/mol
- -analytic -1.2842e+002 5.0789e-002 9.8815e+003 3.3565e+001 1.5423e+002
-# -Range: 0-300
-
-1.0000 F- + 1.0000 Eu++ = EuF+
- -llnl_gamma 4.0
- log_k -1.3487
- -delta_H 16.9452 kJ/mol # Calculated enthalpy of reaction EuF+
-# Enthalpy of formation: -202.2 kcal/mol
- -analytic 6.2412e+001 3.5839e-002 -1.3660e+003 -2.8223e+001 -2.1333e+001
-# -Range: 0-300
-
-1.0000 F- + 1.0000 Eu+++ = EuF++
- -llnl_gamma 4.5
- log_k +4.4420
- -delta_H 23.6396 kJ/mol # Calculated enthalpy of reaction EuF+2
-# Enthalpy of formation: -219.2 kcal/mol
- -analytic 1.0063e+002 4.1834e-002 -2.7355e+003 -4.0195e+001 -4.2714e+001
-# -Range: 0-300
-
-2.0000 F- + 1.0000 Eu++ = EuF2
- -llnl_gamma 3.0
- log_k -2.0378
- -delta_H 17.5728 kJ/mol # Calculated enthalpy of reaction EuF2
-# Enthalpy of formation: -282.2 kcal/mol
- -analytic 1.2065e+002 7.1705e-002 -1.7998e+003 -5.5760e+001 -2.8121e+001
-# -Range: 0-300
-
-2.0000 F- + 1.0000 Eu+++ = EuF2+
- -llnl_gamma 4.0
- log_k +7.7112
- -delta_H 13.8072 kJ/mol # Calculated enthalpy of reaction EuF2+
-# Enthalpy of formation: -301.7 kcal/mol
- -analytic 2.4099e+002 8.4714e-002 -5.7702e+003 -9.6640e+001 -9.0109e+001
-# -Range: 0-300
-
-3.0000 F- + 1.0000 Eu+++ = EuF3
- -llnl_gamma 3.0
- log_k +10.1741
- -delta_H -8.9956 kJ/mol # Calculated enthalpy of reaction EuF3
-# Enthalpy of formation: -387.3 kcal/mol
- -analytic 4.5022e+002 1.3560e-001 -1.0801e+004 -1.7951e+002 -1.6867e+002
-# -Range: 0-300
-
-3.0000 F- + 1.0000 Eu++ = EuF3-
- -llnl_gamma 4.0
- log_k -2.5069
- -delta_H 3.5564 kJ/mol # Calculated enthalpy of reaction EuF3-
-# Enthalpy of formation: -365.7 kcal/mol
- -analytic -2.8441e+001 5.5972e-002 4.4573e+003 -2.2782e+000 6.9558e+001
-# -Range: 0-300
-
-4.0000 F- + 1.0000 Eu+++ = EuF4-
- -llnl_gamma 4.0
- log_k +12.1239
- -delta_H -52.3 kJ/mol # Calculated enthalpy of reaction EuF4-
-# Enthalpy of formation: -477.8 kcal/mol
- -analytic 5.0246e+002 1.3629e-001 -1.1092e+004 -1.9952e+002 -1.7323e+002
-# -Range: 0-300
-
-4.0000 F- + 1.0000 Eu++ = EuF4--
- -llnl_gamma 4.0
- log_k -2.8294
- -delta_H -37.656 kJ/mol # Calculated enthalpy of reaction EuF4-2
-# Enthalpy of formation: -455.7 kcal/mol
- -analytic -1.8730e+002 3.9237e-002 1.2303e+004 5.3179e+001 1.9204e+002
-# -Range: 0-300
-
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Eu+++ = EuH2PO4++
- -llnl_gamma 4.5
- log_k +9.4484
- -delta_H -17.0916 kJ/mol # Calculated enthalpy of reaction EuH2PO4+2
-# Enthalpy of formation: -457.6 kcal/mol
- -analytic 1.0873e+002 6.3416e-002 2.7202e+002 -4.8113e+001 4.2122e+000
-# -Range: 0-300
-
-1.0000 HCO3- + 1.0000 Eu+++ = EuHCO3++
- -llnl_gamma 4.5
- log_k +1.6258
- -delta_H 8.77803 kJ/mol # Calculated enthalpy of reaction EuHCO3+2
-# Enthalpy of formation: -307.5 kcal/mol
- -analytic 3.9266e+001 3.1608e-002 -9.8731e+001 -1.8875e+001 -1.5524e+000
-# -Range: 0-300
-
-1.0000 HPO4-- + 1.0000 Eu+++ = EuHPO4+
- -llnl_gamma 4.0
- log_k +5.7000
- -delta_H 0 # Not possible to calculate enthalpy of reaction EuHPO4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 IO3- + 1.0000 Eu+++ = EuIO3++
- -llnl_gamma 4.5
- log_k +2.1560
- -delta_H 11.8314 kJ/mol # Calculated enthalpy of reaction EuIO3+2
-# Enthalpy of formation: -814.927 kJ/mol
- -analytic 1.4970e+002 4.7369e-002 -4.1559e+003 -5.9687e+001 -6.4893e+001
-# -Range: 0-300
-
-1.0000 NO3- + 1.0000 Eu+++ = EuNO3++
- -llnl_gamma 4.5
- log_k +0.8745
- -delta_H -32.0955 kJ/mol # Calculated enthalpy of reaction EuNO3+2
-# Enthalpy of formation: -201.8 kcal/mol
- -analytic 1.7398e+001 2.5467e-002 2.2683e+003 -1.2810e+001 3.5389e+001
-# -Range: 0-300
-
-1.0000 H2O + 1.0000 Eu+++ = EuO+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -16.337
- -delta_H 110.947 kJ/mol # Calculated enthalpy of reaction EuO+
-# Enthalpy of formation: -186.5 kcal/mol
- -analytic 1.8876e+002 3.0194e-002 -1.3836e+004 -6.7770e+001 -2.1595e+002
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Eu+++ = EuO2- +4.0000 H+
- -llnl_gamma 4.0
- log_k -34.5066
- -delta_H 281.307 kJ/mol # Calculated enthalpy of reaction EuO2-
-# Enthalpy of formation: -214.1 kcal/mol
- -analytic 7.5244e+001 3.7089e-004 -1.3587e+004 -2.3859e+001 -4.6713e+005
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Eu+++ = EuO2H +3.0000 H+
- -llnl_gamma 3.0
- log_k -25.4173
- -delta_H 222.313 kJ/mol # Calculated enthalpy of reaction EuO2H
-# Enthalpy of formation: -228.2 kcal/mol
- -analytic 3.6754e+002 5.3868e-002 -2.4034e+004 -1.3272e+002 -3.7514e+002
-# -Range: 0-300
-
-2.0000 HCO3- + 1.0000 H2O + 1.0000 Eu+++ = EuOH(CO3)2-- +3.0000 H+
- -llnl_gamma 4.0
- log_k -15.176
- -delta_H 0 # Not possible to calculate enthalpy of reaction EuOH(CO3)2-2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 H2O + 1.0000 Eu+++ = EuOH++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -7.9075
- -delta_H 78.0065 kJ/mol # Calculated enthalpy of reaction EuOH+2
-# Enthalpy of formation: -194.373 kcal/mol
- -analytic 6.7691e+001 1.2066e-002 -6.1871e+003 -2.3617e+001 -9.6563e+001
-# -Range: 0-300
-
-1.0000 HCO3- + 1.0000 H2O + 1.0000 Eu+++ = EuOHCO3 +2.0000 H+
- -llnl_gamma 3.0
- log_k -8.4941
- -delta_H 0 # Not possible to calculate enthalpy of reaction EuOHCO3
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 HPO4-- + 1.0000 Eu+++ = EuPO4 +1.0000 H+
- -llnl_gamma 3.0
- log_k -0.1218
- -delta_H 0 # Not possible to calculate enthalpy of reaction EuPO4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 SO4-- + 1.0000 Eu+++ = EuSO4+
- -llnl_gamma 4.0
- log_k +3.6430
- -delta_H 62.3416 kJ/mol # Calculated enthalpy of reaction EuSO4+
-# Enthalpy of formation: -347.2 kcal/mol
- -analytic 3.0587e+002 8.6208e-002 -9.0387e+003 -1.2026e+002 -1.4113e+002
-# -Range: 0-300
-
-2.0000 HAcetate + 1.0000 Fe++ = Fe(Acetate)2 +2.0000 H+
- -llnl_gamma 3.0
- log_k -7.0295
- -delta_H -20.2924 kJ/mol # Calculated enthalpy of reaction Fe(Acetate)2
-# Enthalpy of formation: -259.1 kcal/mol
- -analytic -2.9862e+001 1.3901e-003 -1.6908e+003 8.6283e+000 6.0125e+005
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Fe++ = Fe(OH)2 +2.0000 H+
- -llnl_gamma 3.0
- log_k -20.6
- -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H2O + 1.0000 Fe+++ = Fe(OH)2+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -5.67
- -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)2+
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 H2O + 1.0000 Fe+++ = Fe(OH)3 +3.0000 H+
- -llnl_gamma 3.0
- log_k -12
- -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)3
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 H2O + 1.0000 Fe++ = Fe(OH)3- +3.0000 H+
- -llnl_gamma 4.0
- log_k -31
- -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)3-
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 H2O + 1.0000 Fe+++ = Fe(OH)4- +4.0000 H+
- -llnl_gamma 4.0
- log_k -21.6
- -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)4-
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 H2O + 1.0000 Fe++ = Fe(OH)4-- +4.0000 H+
- -llnl_gamma 4.0
- log_k -46
- -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)4-2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 SO4-- + 1.0000 Fe+++ = Fe(SO4)2-
- -llnl_gamma 4.0
- log_k +3.2137
- -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(SO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H2O + 2.0000 Fe+++ = Fe2(OH)2++++ +2.0000 H+
- -llnl_gamma 5.5
- log_k -2.95
- -delta_H 0 # Not possible to calculate enthalpy of reaction Fe2(OH)2+4
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 H2O + 3.0000 Fe+++ = Fe3(OH)4+5 +4.0000 H+
- -llnl_gamma 6.0
- log_k -6.3
- -delta_H 0 # Not possible to calculate enthalpy of reaction Fe3(OH)4+5
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Fe++ + 1.0000 HAcetate = FeAcetate+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -3.4671
- -delta_H -3.80744 kJ/mol # Calculated enthalpy of reaction FeAcetate+
-# Enthalpy of formation: -139.06 kcal/mol
- -analytic -1.3781e+001 9.6253e-004 -7.5310e+002 4.0135e+000 2.3416e+005
-# -Range: 0-300
-
-1.0000 HCO3- + 1.0000 Fe++ = FeCO3 +1.0000 H+
- -llnl_gamma 3.0
- log_k -5.5988
- -delta_H 0 # Not possible to calculate enthalpy of reaction FeCO3
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 HCO3- + 1.0000 Fe+++ = FeCO3+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -0.6088
- -delta_H -50.208 kJ/mol # Calculated enthalpy of reaction FeCO3+
-# Enthalpy of formation: -188.748 kcal/mol
- -analytic 1.7100e+002 8.0413e-002 -4.3217e+002 -7.8449e+001 -6.7948e+000
-# -Range: 0-300
-
-1.0000 Fe++ + 1.0000 Cl- = FeCl+
- -llnl_gamma 4.0
- log_k -0.1605
- -delta_H 3.02503 kJ/mol # Calculated enthalpy of reaction FeCl+
-# Enthalpy of formation: -61.26 kcal/mol
- -analytic 8.2435e+001 3.7755e-002 -1.4765e+003 -3.5918e+001 -2.3064e+001
-# -Range: 0-300
-
-1.0000 Fe+++ + 1.0000 Cl- = FeCl++
- -llnl_gamma 4.5
- log_k -0.8108
- -delta_H 36.6421 kJ/mol # Calculated enthalpy of reaction FeCl+2
-# Enthalpy of formation: -180.018 kJ/mol
- -analytic 1.6186e+002 5.9436e-002 -5.1913e+003 -6.5852e+001 -8.1053e+001
-# -Range: 0-300
-
-2.0000 Cl- + 1.0000 Fe++ = FeCl2
- -llnl_gamma 3.0
- log_k -2.4541
- -delta_H 6.46846 kJ/mol # Calculated enthalpy of reaction FeCl2
-# Enthalpy of formation: -100.37 kcal/mol
- -analytic 1.9171e+002 7.8070e-002 -4.1048e+003 -8.2292e+001 -6.4108e+001
-# -Range: 0-300
-
-2.0000 Cl- + 1.0000 Fe+++ = FeCl2+
- -llnl_gamma 4.0
- log_k +2.1300
- -delta_H 0 # Not possible to calculate enthalpy of reaction FeCl2+
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 Cl- + 1.0000 Fe+++ = FeCl4-
- -llnl_gamma 4.0
- log_k -0.79
- -delta_H 0 # Not possible to calculate enthalpy of reaction FeCl4-
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 Cl- + 1.0000 Fe++ = FeCl4--
- -llnl_gamma 4.0
- log_k -1.9
- -delta_H 0 # Not possible to calculate enthalpy of reaction FeCl4-2
-# Enthalpy of formation: -0 kcal/mol
- -analytic -2.4108e+002 -6.0086e-003 9.7979e+003 8.4084e+001 1.5296e+002
-# -Range: 0-300
-
-1.0000 Fe++ + 1.0000 F- = FeF+
- -llnl_gamma 4.0
- log_k +1.3600
- -delta_H 0 # Not possible to calculate enthalpy of reaction FeF+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Fe+++ + 1.0000 F- = FeF++
- -llnl_gamma 4.5
- log_k +4.1365
- -delta_H 14.327 kJ/mol # Calculated enthalpy of reaction FeF+2
-# Enthalpy of formation: -370.601 kJ/mol
- -analytic 1.7546e+002 6.3754e-002 -4.3166e+003 -7.1052e+001 -6.7408e+001
-# -Range: 0-300
-
-2.0000 F- + 1.0000 Fe+++ = FeF2+
- -llnl_gamma 4.0
- log_k +8.3498
- -delta_H 23.9776 kJ/mol # Calculated enthalpy of reaction FeF2+
-# Enthalpy of formation: -696.298 kJ/mol
- -analytic 2.9080e+002 1.0393e-001 -7.2118e+003 -1.1688e+002 -1.1262e+002
-# -Range: 0-300
-
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Fe++ = FeH2PO4+
- -llnl_gamma 4.0
- log_k +2.7000
- -delta_H 0 # Not possible to calculate enthalpy of reaction FeH2PO4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Fe+++ = FeH2PO4++
- -llnl_gamma 4.5
- log_k +4.1700
- -delta_H 0 # Not possible to calculate enthalpy of reaction FeH2PO4+2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 HCO3- + 1.0000 Fe++ = FeHCO3+
- -llnl_gamma 4.0
- log_k +2.7200
- -delta_H 0 # Not possible to calculate enthalpy of reaction FeHCO3+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 HPO4-- + 1.0000 Fe++ = FeHPO4
- -llnl_gamma 3.0
- log_k +3.6000
- -delta_H 0 # Not possible to calculate enthalpy of reaction FeHPO4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 HPO4-- + 1.0000 Fe+++ = FeHPO4+
- -llnl_gamma 4.0
- log_k +10.1800
- -delta_H 0 # Not possible to calculate enthalpy of reaction FeHPO4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 NO2- + 1.0000 Fe+++ = FeNO2++
- -llnl_gamma 4.5
- log_k +3.1500
- -delta_H 0 # Not possible to calculate enthalpy of reaction FeNO2+2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 NO3- + 1.0000 Fe+++ = FeNO3++
- -llnl_gamma 4.5
- log_k +1.0000
- -delta_H 0 # Not possible to calculate enthalpy of reaction FeNO3+2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 H2O + 1.0000 Fe++ = FeOH+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -9.5
- -delta_H 0 # Not possible to calculate enthalpy of reaction FeOH+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 H2O + 1.0000 Fe+++ = FeOH++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -2.19
- -delta_H 0 # Not possible to calculate enthalpy of reaction FeOH+2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 HPO4-- + 1.0000 Fe++ = FePO4- +1.0000 H+
- -llnl_gamma 4.0
- log_k -4.3918
- -delta_H 0 # Not possible to calculate enthalpy of reaction FePO4-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 SO4-- + 1.0000 Fe++ = FeSO4
- -llnl_gamma 3.0
- log_k +2.2000
- -delta_H 0 # Not possible to calculate enthalpy of reaction FeSO4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 SO4-- + 1.0000 Fe+++ = FeSO4+
- -llnl_gamma 4.0
- log_k +1.9276
- -delta_H 27.181 kJ/mol # Calculated enthalpy of reaction FeSO4+
-# Enthalpy of formation: -932.001 kJ/mol
- -analytic 2.5178e+002 1.0080e-001 -6.0977e+003 -1.0483e+002 -9.5223e+001
-# -Range: 0-300
-
-2.0000 HAcetate + 1.0000 Gd+++ = Gd(Acetate)2+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -4.9625
- -delta_H -22.3426 kJ/mol # Calculated enthalpy of reaction Gd(Acetate)2+
-# Enthalpy of formation: -401.74 kcal/mol
- -analytic -4.3124e+001 1.2995e-004 -4.3494e+002 1.3677e+001 5.1224e+005
-# -Range: 0-300
-
-3.0000 HAcetate + 1.0000 Gd+++ = Gd(Acetate)3 +3.0000 H+
- -llnl_gamma 3.0
- log_k -8.3489
- -delta_H -37.9907 kJ/mol # Calculated enthalpy of reaction Gd(Acetate)3
-# Enthalpy of formation: -521.58 kcal/mol
- -analytic -8.8296e+001 -5.0939e-003 1.2268e+003 2.8513e+001 6.0745e+005
-# -Range: 0-300
-
-2.0000 HCO3- + 1.0000 Gd+++ = Gd(CO3)2- +2.0000 H+
- -llnl_gamma 4.0
- log_k -7.5576
- -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(CO3)2-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Gd+++ = Gd(HPO4)2-
- -llnl_gamma 4.0
- log_k +9.6000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(HPO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-# Redundant with GdO2-
-#4.0000 H2O + 1.0000 Gd+++ = Gd(OH)4- +4.0000 H+
-# -llnl_gamma 4.0
-# log_k -33.8803
-# -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(OH)4-
-## Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Gd+++ = Gd(PO4)2--- +2.0000 H+
- -llnl_gamma 4.0
- log_k -3.9437
- -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(PO4)2-3
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 SO4-- + 1.0000 Gd+++ = Gd(SO4)2-
- -llnl_gamma 4.0
- log_k +5.1000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(SO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Gd+++ + 1.0000 HAcetate = GdAcetate++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -2.1037
- -delta_H -11.7152 kJ/mol # Calculated enthalpy of reaction GdAcetate+2
-# Enthalpy of formation: -283.1 kcal/mol
- -analytic -1.4118e+001 1.6660e-003 -7.5206e+002 4.2614e+000 3.1187e+005
-# -Range: 0-300
-
-1.0000 HCO3- + 1.0000 Gd+++ = GdCO3+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -2.479
- -delta_H 89.9476 kJ/mol # Calculated enthalpy of reaction GdCO3+
-# Enthalpy of formation: -307.6 kcal/mol
- -analytic 2.3628e+002 5.4100e-002 -7.0746e+003 -9.3413e+001 -1.1046e+002
-# -Range: 0-300
-
-1.0000 Gd+++ + 1.0000 Cl- = GdCl++
- -llnl_gamma 4.5
- log_k +0.3086
- -delta_H 14.7821 kJ/mol # Calculated enthalpy of reaction GdCl+2
-# Enthalpy of formation: -200.6 kcal/mol
- -analytic 8.0750e+001 3.8524e-002 -1.8591e+003 -3.4621e+001 -2.9034e+001
-# -Range: 0-300
-
-2.0000 Cl- + 1.0000 Gd+++ = GdCl2+
- -llnl_gamma 4.0
- log_k -0.0425
- -delta_H 21.1961 kJ/mol # Calculated enthalpy of reaction GdCl2+
-# Enthalpy of formation: -239 kcal/mol
- -analytic 2.1754e+002 8.0996e-002 -5.6121e+003 -9.0067e+001 -8.7635e+001
-# -Range: 0-300
-
-3.0000 Cl- + 1.0000 Gd+++ = GdCl3
- -llnl_gamma 3.0
- log_k -0.4669
- -delta_H 15.895 kJ/mol # Calculated enthalpy of reaction GdCl3
-# Enthalpy of formation: -280.2 kcal/mol
- -analytic 4.1398e+002 1.2829e-001 -1.1230e+004 -1.6770e+002 -1.7535e+002
-# -Range: 0-300
-
-4.0000 Cl- + 1.0000 Gd+++ = GdCl4-
- -llnl_gamma 4.0
- log_k -0.8913
- -delta_H -1.53971 kJ/mol # Calculated enthalpy of reaction GdCl4-
-# Enthalpy of formation: -324.3 kcal/mol
- -analytic 4.7684e+002 1.3157e-001 -1.3068e+004 -1.9118e+002 -2.0405e+002
-# -Range: 0-300
-
-1.0000 Gd+++ + 1.0000 F- = GdF++
- -llnl_gamma 4.5
- log_k +4.5886
- -delta_H 21.1292 kJ/mol # Calculated enthalpy of reaction GdF+2
-# Enthalpy of formation: -239.3 kcal/mol
- -analytic 1.0060e+002 4.2181e-002 -2.6024e+003 -4.0347e+001 -4.0637e+001
-# -Range: 0-300
-
-2.0000 F- + 1.0000 Gd+++ = GdF2+
- -llnl_gamma 4.0
- log_k +7.9311
- -delta_H 11.2968 kJ/mol # Calculated enthalpy of reaction GdF2+
-# Enthalpy of formation: -321.8 kcal/mol
- -analytic 2.3793e+002 8.4732e-002 -5.4950e+003 -9.5689e+001 -8.5815e+001
-# -Range: 0-300
-
-3.0000 F- + 1.0000 Gd+++ = GdF3
- -llnl_gamma 3.0
- log_k +10.4673
- -delta_H -11.506 kJ/mol # Calculated enthalpy of reaction GdF3
-# Enthalpy of formation: -407.4 kcal/mol
- -analytic 4.4257e+002 1.3500e-001 -1.0377e+004 -1.7680e+002 -1.6205e+002
-# -Range: 0-300
-
-4.0000 F- + 1.0000 Gd+++ = GdF4-
- -llnl_gamma 4.0
- log_k +12.4904
- -delta_H -52.3 kJ/mol # Calculated enthalpy of reaction GdF4-
-# Enthalpy of formation: -497.3 kcal/mol
- -analytic 4.9026e+002 1.3534e-001 -1.0586e+004 -1.9501e+002 -1.6533e+002
-# -Range: 0-300
-
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Gd+++ = GdH2PO4++
- -llnl_gamma 4.5
- log_k +9.4484
- -delta_H -14.9996 kJ/mol # Calculated enthalpy of reaction GdH2PO4+2
-# Enthalpy of formation: -476.6 kcal/mol
- -analytic 1.1058e+002 6.4124e-002 1.3451e+002 -4.8758e+001 2.0660e+000
-# -Range: 0-300
-
-1.0000 HCO3- + 1.0000 Gd+++ = GdHCO3++
- -llnl_gamma 4.5
- log_k +1.6991
- -delta_H 10.0332 kJ/mol # Calculated enthalpy of reaction GdHCO3+2
-# Enthalpy of formation: -326.7 kcal/mol
- -analytic 4.1973e+001 3.2521e-002 -2.3475e+002 -1.9864e+001 -3.6757e+000
-# -Range: 0-300
-
-1.0000 HPO4-- + 1.0000 Gd+++ = GdHPO4+
- -llnl_gamma 4.0
- log_k -185.109
- -delta_H 0 # Not possible to calculate enthalpy of reaction GdHPO4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 NO3- + 1.0000 Gd+++ = GdNO3++
- -llnl_gamma 4.5
- log_k +0.4347
- -delta_H -25.8195 kJ/mol # Calculated enthalpy of reaction GdNO3+2
-# Enthalpy of formation: -219.8 kcal/mol
- -analytic 2.0253e+001 2.6372e-002 1.8785e+003 -1.3723e+001 2.9306e+001
-# -Range: 0-300
-
-1.0000 H2O + 1.0000 Gd+++ = GdO+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -16.337
- -delta_H 113.039 kJ/mol # Calculated enthalpy of reaction GdO+
-# Enthalpy of formation: -205.5 kcal/mol
- -analytic 2.0599e+002 3.2521e-002 -1.4547e+004 -7.4048e+001 -2.2705e+002
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Gd+++ = GdO2- +4.0000 H+
- -llnl_gamma 4.0
- log_k -34.4333
- -delta_H 283.817 kJ/mol # Calculated enthalpy of reaction GdO2-
-# Enthalpy of formation: -233 kcal/mol
- -analytic 1.2067e+002 6.6276e-003 -1.5531e+004 -4.0448e+001 -4.3587e+005
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Gd+++ = GdO2H +3.0000 H+
- -llnl_gamma 3.0
- log_k -25.2707
- -delta_H 224.405 kJ/mol # Calculated enthalpy of reaction GdO2H
-# Enthalpy of formation: -247.2 kcal/mol
- -analytic 3.6324e+002 4.7938e-002 -2.4275e+004 -1.2988e+002 -3.7889e+002
-# -Range: 0-300
-
-1.0000 H2O + 1.0000 Gd+++ = GdOH++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -7.9075
- -delta_H 79.9855 kJ/mol # Calculated enthalpy of reaction GdOH+2
-# Enthalpy of formation: -213.4 kcal/mol
- -analytic 8.3265e+001 1.4153e-002 -6.8229e+003 -2.9301e+001 -1.0649e+002
-# -Range: 0-300
-
-1.0000 HPO4-- + 1.0000 Gd+++ = GdPO4 +1.0000 H+
- -llnl_gamma 3.0
- log_k -0.1218
- -delta_H 0 # Not possible to calculate enthalpy of reaction GdPO4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 SO4-- + 1.0000 Gd+++ = GdSO4+
- -llnl_gamma 4.0
- log_k -3.687
- -delta_H 20.0832 kJ/mol # Calculated enthalpy of reaction GdSO4+
-# Enthalpy of formation: -376.8 kcal/mol
- -analytic 3.0783e+002 8.6798e-002 -1.1246e+004 -1.2109e+002 -1.7557e+002
-# -Range: 0-300
-
-1.0000 O_phthalate-2 + 1.0000 H+ = H(O_phthalate)-
- -llnl_gamma 4.0
- log_k +5.4080
- -delta_H 0 # Not possible to calculate enthalpy of reaction H(O_phthalate)-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H+ + 1.0000 CrO4-- = H2CrO4
- -llnl_gamma 3.0
- log_k +5.1750
- -delta_H 42.8274 kJ/mol # Calculated enthalpy of reaction H2CrO4
-# Enthalpy of formation: -200.364 kcal/mol
- -analytic 4.2958e+002 1.4939e-001 -1.1474e+004 -1.7396e+002 -1.9499e+002
-# -Range: 0-200
-
-2.0000 H+ + 2.0000 F- = H2F2
- -llnl_gamma 3.0
- log_k +6.7680
- -delta_H 0 # Not possible to calculate enthalpy of reaction H2F2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 2.0000 H+ = H2P2O7-- +1.0000 H2O
- -llnl_gamma 4.0
- log_k +12.0709
- -delta_H 19.7192 kJ/mol # Calculated enthalpy of reaction H2P2O7-2
-# Enthalpy of formation: -544.6 kcal/mol
- -analytic 1.4825e+002 6.7021e-002 -2.8329e+003 -5.9251e+001 -4.4248e+001
-# -Range: 0-300
-
-3.0000 H+ + 1.0000 HPO4-- + 1.0000 F- = H2PO3F +1.0000 H2O
- -llnl_gamma 3.0
- log_k +12.1047
- -delta_H 0 # Not possible to calculate enthalpy of reaction H2PO3F
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 HPO4-- + 1.0000 H+ = H2PO4-
- -llnl_gamma 4.0
- log_k +7.2054
- -delta_H -4.20492 kJ/mol # Calculated enthalpy of reaction H2PO4-
-# Enthalpy of formation: -309.82 kcal/mol
- -analytic 8.2149e+001 3.4077e-002 -1.0431e+003 -3.2970e+001 -1.6301e+001
-# -Range: 0-300
-
-#1.0000 HS- + 1.0000 H+ = H2S
-# -llnl_gamma 3.0
-# log_k +6.99
-# -analytic 1.2833e+002 5.1641e-002 -1.1681e+003 -5.3665e+001 -1.8266e+001
-# -Range: 0-300
-# these (above) H2S values are from
-# Suleimenov & Seward, Geochim. Cosmochim. Acta, v. 61, p. 5187-5198.
-# values below are the original Thermo.com.v8.r6.230 data from somewhere
-
-1.0000 HS- + 1.0000 H+ = H2S
- -llnl_gamma 3.0
- log_k +6.9877
- -delta_H -21.5518 kJ/mol # Calculated enthalpy of reaction H2S
-# Enthalpy of formation: -9.001 kcal/mol
- -analytic 3.9283e+001 2.8727e-002 1.3477e+003 -1.8331e+001 2.1018e+001
-# -Range: 0-300
-
-2.0000 H+ + 1.0000 SO3-- = H2SO3
- -llnl_gamma 3.0
- log_k +9.2132
- -delta_H 0 # Not possible to calculate enthalpy of reaction H2SO3
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H+ + 1.0000 SO4-- = H2SO4
- -llnl_gamma 3.0
- log_k -1.0209
- -delta_H 0 # Not possible to calculate enthalpy of reaction H2SO4
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H+ + 1.0000 Se-- = H2Se
- -llnl_gamma 3.0
- log_k +18.7606
- -delta_H 0 # Not possible to calculate enthalpy of reaction H2Se
-# Enthalpy of formation: 19.412 kJ/mol
- -analytic 3.6902e+002 1.2855e-001 -5.5900e+003 -1.4946e+002 -9.5054e+001
-# -Range: 0-200
-
-2.0000 H+ + 1.0000 SeO3-- = H2SeO3
- -llnl_gamma 3.0
- log_k +9.8589
- -delta_H 1.7238 kJ/mol # Calculated enthalpy of reaction H2SeO3
-# Enthalpy of formation: -507.469 kJ/mol
- -analytic 2.7850e+002 1.0460e-001 -5.4934e+003 -1.1371e+002 -9.3383e+001
-# -Range: 0-200
-
-2.0000 H2O + 1.0000 SiO2 = H2SiO4-- +2.0000 H+
- -llnl_gamma 4.0
- log_k -22.96
- -delta_H 0 # Not possible to calculate enthalpy of reaction H2SiO4-2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H+ + 1.0000 TcO4-- = H2TcO4
- -llnl_gamma 3.0
- log_k +9.0049
- -delta_H 0 # Not possible to calculate enthalpy of reaction H2TcO4
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H2O + 1.0000 VO2+ = H2VO4- + 2.0000 H+
- -llnl_gamma 4.0
- log_k -7.0922
- -delta_H 0 # Not possible to calculate enthalpy of reaction H2VO4-
-# Enthalpy of formation: -0 kcal/mol
- -analytic 1.7105e+001 -1.7503e-002 -4.2671e+003 -1.8910e+000 -6.6589e+001
-# -Range: 0-300
-
-1.0000 H2AsO4- + 1.0000 H+ = H3AsO4
- -llnl_gamma 3.0
- log_k +2.2492
- -delta_H 7.17876 kJ/mol # Calculated enthalpy of reaction H3AsO4
-# Enthalpy of formation: -902.381 kJ/mol
- -analytic 1.4043e+002 4.6288e-002 -3.5868e+003 -5.6560e+001 -6.0957e+001
-# -Range: 0-200
-
-3.0000 H+ + 2.0000 HPO4-- = H3P2O7- +1.0000 H2O
- -llnl_gamma 4.0
- log_k +14.4165
- -delta_H 21.8112 kJ/mol # Calculated enthalpy of reaction H3P2O7-
-# Enthalpy of formation: -544.1 kcal/mol
- -analytic 2.3157e+002 1.0161e-001 -4.3723e+003 -9.4050e+001 -6.8295e+001
-# -Range: 0-300
-
-2.0000 H+ + 1.0000 HPO4-- = H3PO4
- -llnl_gamma 3.0
- log_k +9.3751
- -delta_H 3.74468 kJ/mol # Calculated enthalpy of reaction H3PO4
-# Enthalpy of formation: -307.92 kcal/mol
- -analytic 1.8380e+002 6.7320e-002 -3.7792e+003 -7.3463e+001 -5.9025e+001
-# -Range: 0-300
-
-8.0000 H2O + 4.0000 SiO2 = H4(H2SiO4)4---- +4.0000 H+
- -llnl_gamma 4.0
- log_k -35.94
- -delta_H 0 # Not possible to calculate enthalpy of reaction H4(H2SiO4)4-4
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 H+ + 2.0000 HPO4-- = H4P2O7 +1.0000 H2O
- -llnl_gamma 3.0
- log_k +15.9263
- -delta_H 29.7226 kJ/mol # Calculated enthalpy of reaction H4P2O7
-# Enthalpy of formation: -2268.6 kJ/mol
- -analytic 6.9026e+002 2.4309e-001 -1.6165e+004 -2.7989e+002 -2.7475e+002
-# -Range: 0-200
-
-8.0000 H2O + 4.0000 SiO2 = H6(H2SiO4)4-- +2.0000 H+
- -llnl_gamma 4.0
- log_k -13.64
- -delta_H 0 # Not possible to calculate enthalpy of reaction H6(H2SiO4)4-2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H2O + 1.0000 Al+++ = HAlO2 +3.0000 H+
- -llnl_gamma 3.0
- log_k -16.4329
- -delta_H 144.704 kJ/mol # Calculated enthalpy of reaction HAlO2
-# Enthalpy of formation: -230.73 kcal/mol
- -analytic 4.2012e+001 1.9980e-002 -7.7847e+003 -1.5470e+001 -1.2149e+002
-# -Range: 0-300
-
-1.0000 H2AsO3- + 1.0000 H+ = HAsO2 +1.0000 H2O
- -llnl_gamma 3.0
- log_k 9.2792
- -delta_H 0 # Not possible to calculate enthalpy of reaction HAsO2
-# Enthalpy of formation: -0 kcal/mol
- -analytic 3.1290e+002 9.3052e-002 -6.5052e+003 -1.2510e+002 -1.1058e+002
-# -Range: 0-200
-
-1.0000 H2AsO4- + 1.0000 H+ + 1.0000 F- = HAsO3F- +1.0000 H2O
- -llnl_gamma 4.0
- log_k +46.1158
- -delta_H 0 # Not possible to calculate enthalpy of reaction HAsO3F-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 H2AsO4- = HAsO4-- +1.0000 H+
- -llnl_gamma 4.0
- log_k -6.7583
- -delta_H 3.22168 kJ/mol # Calculated enthalpy of reaction HAsO4-2
-# Enthalpy of formation: -216.62 kcal/mol
- -analytic -8.4546e+001 -3.4630e-002 1.1829e+003 3.3997e+001 1.8483e+001
-# -Range: 0-300
-
-3.0000 H+ + 2.0000 HS- + 1.0000 H2AsO3- = HAsS2 +3.0000 H2O
- -llnl_gamma 3.0
- log_k +30.4803
- -delta_H 0 # Not possible to calculate enthalpy of reaction HAsS2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 H+ + 1.0000 BrO- = HBrO
- -llnl_gamma 3.0
- log_k +8.3889
- -delta_H 0 # Not possible to calculate enthalpy of reaction HBrO
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 H+ + 1.0000 Cyanide- = HCyanide
- -llnl_gamma 3.0
- log_k +9.2359
- -delta_H -43.5136 kJ/mol # Calculated enthalpy of reaction HCyanide
-# Enthalpy of formation: 25.6 kcal/mol
- -analytic 1.0536e+001 2.3105e-002 3.3038e+003 -7.7786e+000 5.1550e+001
-# -Range: 0-300
-
-1.0000 H+ + 1.0000 Cl- = HCl
- -llnl_gamma 3.0
- log_k -0.67
- -delta_H 0 # Not possible to calculate enthalpy of reaction HCl
-# Enthalpy of formation: -0 kcal/mol
- -analytic 4.1893e+002 1.1103e-001 -1.1784e+004 -1.6697e+002 -1.8400e+002
-# -Range: 0-300
-
-1.0000 H+ + 1.0000 ClO- = HClO
- -llnl_gamma 3.0
- log_k +7.5692
- -delta_H 0 # Not possible to calculate enthalpy of reaction HClO
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 H+ + 1.0000 ClO2- = HClO2
- -llnl_gamma 3.0
- log_k +3.1698
- -delta_H 0 # Not possible to calculate enthalpy of reaction HClO2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H2O + 1.0000 Co++ = HCoO2- +3.0000 H+
- -llnl_gamma 4.0
- log_k -21.243
- -delta_H 0 # Not possible to calculate enthalpy of reaction HCoO2-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 H+ + 1.0000 CrO4-- = HCrO4-
- -llnl_gamma 4.0
- log_k +6.4944
- -delta_H 2.9288 kJ/mol # Calculated enthalpy of reaction HCrO4-
-# Enthalpy of formation: -209.9 kcal/mol
- -analytic 4.4944e+001 3.2740e-002 1.8400e+002 -1.9722e+001 2.8578e+000
-# -Range: 0-300
-
-1.0000 H+ + 1.0000 F- = HF
- -llnl_gamma 3.0
- log_k +3.1681
- -delta_H 13.87 kJ/mol # Calculated enthalpy of reaction HF
-# Enthalpy of formation: -76.835 kcal/mol
- -analytic 8.6626e+001 3.2861e-002 -2.3026e+003 -3.4559e+001 -3.5956e+001
-# -Range: 0-300
-
-2.0000 F- + 1.0000 H+ = HF2-
- -llnl_gamma 4.0
- log_k +2.5509
- -delta_H 20.7526 kJ/mol # Calculated enthalpy of reaction HF2-
-# Enthalpy of formation: -155.34 kcal/mol
- -analytic 1.4359e+002 4.0866e-002 -4.6776e+003 -5.5574e+001 -7.3032e+001
-# -Range: 0-300
-
-1.0000 IO3- + 1.0000 H+ = HIO3
- -llnl_gamma 3.0
- log_k +0.4915
- -delta_H 0 # Not possible to calculate enthalpy of reaction HIO3
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 N3- + 1.0000 H+ = HN3
- -llnl_gamma 3.0
- log_k +4.7001
- -delta_H -15 kJ/mol # Calculated enthalpy of reaction HN3
-# Enthalpy of formation: 260.14 kJ/mol
- -analytic 6.9976e+001 2.4359e-002 -7.1947e+002 -2.8339e+001 -1.2242e+001
-# -Range: 0-200
-
-1.0000 NO2- + 1.0000 H+ = HNO2
- -llnl_gamma 3.0
- log_k +3.2206
- -delta_H -14.782 kJ/mol # Calculated enthalpy of reaction HNO2
-# Enthalpy of formation: -119.382 kJ/mol
- -analytic 1.9653e+000 -1.1603e-004 0.0000e+000 0.0000e+000 1.1569e+005
-# -Range: 0-200
-
-1.0000 NO3- + 1.0000 H+ = HNO3
- -llnl_gamma 3.0
- log_k -1.3025
- -delta_H 16.8155 kJ/mol # Calculated enthalpy of reaction HNO3
-# Enthalpy of formation: -45.41 kcal/mol
- -analytic 9.9744e+001 3.4866e-002 -3.0975e+003 -4.0830e+001 -4.8363e+001
-# -Range: 0-300
-
-2.0000 HPO4-- + 1.0000 H+ = HP2O7--- +1.0000 H2O
- -llnl_gamma 4.0
- log_k +5.4498
- -delta_H 23.3326 kJ/mol # Calculated enthalpy of reaction HP2O7-3
-# Enthalpy of formation: -2274.99 kJ/mol
- -analytic 3.9159e+002 1.5438e-001 -8.7071e+003 -1.6283e+002 -1.3598e+002
-# -Range: 0-300
-
-2.0000 H+ + 1.0000 HPO4-- + 1.0000 F- = HPO3F- +1.0000 H2O
- -llnl_gamma 4.0
- log_k +11.2988
- -delta_H 0 # Not possible to calculate enthalpy of reaction HPO3F-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 RuO4 + 1.0000 H2O = HRuO5- +1.0000 H+
- -llnl_gamma 4.0
- log_k -11.5244
- -delta_H 0 # Not possible to calculate enthalpy of reaction HRuO5-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 H+ + 1.0000 S2O3-- = HS2O3-
- -llnl_gamma 4.0
- log_k 1.0139
- -delta_H 0 # Not possible to calculate enthalpy of reaction HS2O3-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 SO3-- + 1.0000 H+ = HSO3-
- -llnl_gamma 4.0
- log_k +7.2054
- -delta_H 9.33032 kJ/mol # Calculated enthalpy of reaction HSO3-
-# Enthalpy of formation: -149.67 kcal/mol
- -analytic 5.5899e+001 3.3623e-002 -5.0120e+002 -2.3040e+001 -7.8373e+000
-# -Range: 0-300
-
-1.0000 SO4-- + 1.0000 H+ = HSO4-
- -llnl_gamma 4.0
- log_k +1.9791
- -delta_H 20.5016 kJ/mol # Calculated enthalpy of reaction HSO4-
-# Enthalpy of formation: -212.5 kcal/mol
- -analytic 4.9619e+001 3.0368e-002 -1.1558e+003 -2.1335e+001 -1.8051e+001
-# -Range: 0-300
-
-4.0000 HS- + 3.0000 H+ + 2.0000 Sb(OH)3 = HSb2S4- +6.0000 H2O
- -llnl_gamma 4.0
- log_k +50.6100
- -delta_H 0 # Not possible to calculate enthalpy of reaction HSb2S4-
-# Enthalpy of formation: -0 kcal/mol
- -analytic 1.7540e+002 8.2177e-002 1.0786e+004 -7.4874e+001 1.6826e+002
-# -Range: 0-300
-
-1.0000 SeO3-- + 1.0000 H+ = HSeO3-
- -llnl_gamma 4.0
- log_k +7.2861
- -delta_H -5.35552 kJ/mol # Calculated enthalpy of reaction HSeO3-
-# Enthalpy of formation: -122.98 kcal/mol
- -analytic 5.0427e+001 3.2250e-002 2.9603e+002 -2.1711e+001 4.6044e+000
-# -Range: 0-300
-
-1.0000 SeO4-- + 1.0000 H+ = HSeO4-
- -llnl_gamma 4.0
- log_k +1.9058
- -delta_H 17.5728 kJ/mol # Calculated enthalpy of reaction HSeO4-
-# Enthalpy of formation: -139 kcal/mol
- -analytic 1.4160e+002 3.9801e-002 -4.5392e+003 -5.5088e+001 -7.0872e+001
-# -Range: 0-300
-
-1.0000 SiO2 + 1.0000 H2O = HSiO3- +1.0000 H+
- -llnl_gamma 4.0
- log_k -9.9525
- -delta_H 25.991 kJ/mol # Calculated enthalpy of reaction HSiO3-
-# Enthalpy of formation: -271.88 kcal/mol
- -analytic 6.4211e+001 -2.4872e-002 -1.2707e+004 -1.4681e+001 1.0853e+006
-# -Range: 0-300
-
-1.0000 TcO4-- + 1.0000 H+ = HTcO4-
- -llnl_gamma 4.0
- log_k +8.7071
- -delta_H 0 # Not possible to calculate enthalpy of reaction HTcO4-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H2O + 1.0000 VO2+ = HVO4-- +3.0000 H+
- -llnl_gamma 4.0
- log_k -15.1553
- -delta_H 0 # Not possible to calculate enthalpy of reaction HVO4-2
-# Enthalpy of formation: -0 kcal/mol
- -analytic -7.0660e+001 -5.2457e-002 -3.5380e+003 3.3534e+001 -5.5186e+001
-# -Range: 0-300
-
-5.0000 H2O + 1.0000 Hf++++ = Hf(OH)5- +5.0000 H+
- -llnl_gamma 4.0
- log_k -17.1754
- -delta_H 0 # Not possible to calculate enthalpy of reaction Hf(OH)5-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Hf++++ + 1.0000 H2O = HfOH+++ +1.0000 H+
- -llnl_gamma 5.0
- log_k -0.2951
- -delta_H 0 # Not possible to calculate enthalpy of reaction HfOH+3
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HAcetate + 1.0000 Hg++ = Hg(Acetate)2 +2.0000 H+
- -llnl_gamma 3.0
- log_k -2.6242
- -delta_H -30.334 kJ/mol # Calculated enthalpy of reaction Hg(Acetate)2
-# Enthalpy of formation: -198.78 kcal/mol
- -analytic -2.1959e+001 2.7774e-003 -3.2500e+003 7.7351e+000 9.1508e+005
-# -Range: 0-300
-
-3.0000 HAcetate + 1.0000 Hg++ = Hg(Acetate)3- +3.0000 H+
- -llnl_gamma 4.0
- log_k -4.3247
- -delta_H -59.7057 kJ/mol # Calculated enthalpy of reaction Hg(Acetate)3-
-# Enthalpy of formation: -321.9 kcal/mol
- -analytic 2.1656e+001 -2.0392e-003 -1.2866e+004 -3.2932e+000 2.3073e+006
-# -Range: 0-300
-
-1.0000 Hg++ + 1.0000 HAcetate = HgAcetate+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -0.4691
- -delta_H -16.5686 kJ/mol # Calculated enthalpy of reaction HgAcetate+
-# Enthalpy of formation: -79.39 kcal/mol
- -analytic -1.6355e+001 1.9446e-003 -2.6676e+002 5.1978e+000 2.9805e+005
-# -Range: 0-300
-
-2.0000 HAcetate + 1.0000 Ho+++ = Ho(Acetate)2+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -4.9844
- -delta_H -28.1583 kJ/mol # Calculated enthalpy of reaction Ho(Acetate)2+
-# Enthalpy of formation: -407.93 kcal/mol
- -analytic -2.7925e+001 2.5599e-003 -1.4779e+003 8.0785e+000 6.3736e+005
-# -Range: 0-300
-
-3.0000 HAcetate + 1.0000 Ho+++ = Ho(Acetate)3 +3.0000 H+
- -llnl_gamma 3.0
- log_k -8.3783
- -delta_H -47.5721 kJ/mol # Calculated enthalpy of reaction Ho(Acetate)3
-# Enthalpy of formation: -528.67 kcal/mol
- -analytic -6.5547e+001 -1.1963e-004 -1.8887e+002 1.9796e+001 7.9041e+005
-# -Range: 0-300
-
-2.0000 HCO3- + 1.0000 Ho+++ = Ho(CO3)2- +2.0000 H+
- -llnl_gamma 4.0
- log_k -7.3576
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(CO3)2-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Ho+++ = Ho(HPO4)2-
- -llnl_gamma 4.0
- log_k +9.9000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(HPO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Ho+++ = Ho(PO4)2--- +2.0000 H+
- -llnl_gamma 4.0
- log_k -3.3437
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(PO4)2-3
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 SO4-- + 1.0000 Ho+++ = Ho(SO4)2-
- -llnl_gamma 4.0
- log_k +4.9000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(SO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Ho+++ + 1.0000 HAcetate = HoAcetate++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -2.1184
- -delta_H -14.3093 kJ/mol # Calculated enthalpy of reaction HoAcetate+2
-# Enthalpy of formation: -288.52 kcal/mol
- -analytic -1.8265e+001 1.0753e-003 -6.0695e+002 5.7211e+000 3.3055e+005
-# -Range: 0-300
-
-1.0000 Ho+++ + 1.0000 HCO3- = HoCO3+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -2.2591
- -delta_H 89.1108 kJ/mol # Calculated enthalpy of reaction HoCO3+
-# Enthalpy of formation: -312.6 kcal/mol
- -analytic 2.3773e+002 5.4448e-002 -6.9916e+003 -9.4063e+001 -1.0917e+002
-# -Range: 0-300
-
-1.0000 Ho+++ + 1.0000 Cl- = HoCl++
- -llnl_gamma 4.5
- log_k +0.2353
- -delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction HoCl+2
-# Enthalpy of formation: -205.6 kcal/mol
- -analytic 7.3746e+001 3.7733e-002 -1.5627e+003 -3.2126e+001 -2.4407e+001
-# -Range: 0-300
-
-2.0000 Cl- + 1.0000 Ho+++ = HoCl2+
- -llnl_gamma 4.0
- log_k -0.0425
- -delta_H 17.8489 kJ/mol # Calculated enthalpy of reaction HoCl2+
-# Enthalpy of formation: -244.6 kcal/mol
- -analytic 1.9928e+002 7.9025e-002 -4.7775e+003 -8.3582e+001 -7.4607e+001
-# -Range: 0-300
-
-3.0000 Cl- + 1.0000 Ho+++ = HoCl3
- -llnl_gamma 3.0
- log_k -0.4669
- -delta_H 10.0374 kJ/mol # Calculated enthalpy of reaction HoCl3
-# Enthalpy of formation: -286.4 kcal/mol
- -analytic 3.8608e+002 1.2638e-001 -9.8339e+003 -1.5809e+002 -1.5356e+002
-# -Range: 0-300
-
-4.0000 Cl- + 1.0000 Ho+++ = HoCl4-
- -llnl_gamma 4.0
- log_k -0.8913
- -delta_H -12.4181 kJ/mol # Calculated enthalpy of reaction HoCl4-
-# Enthalpy of formation: -331.7 kcal/mol
- -analytic 4.2179e+002 1.2576e-001 -1.0495e+004 -1.7172e+002 -1.6388e+002
-# -Range: 0-300
-
-1.0000 Ho+++ + 1.0000 F- = HoF++
- -llnl_gamma 4.5
- log_k +4.7352
- -delta_H 22.3844 kJ/mol # Calculated enthalpy of reaction HoF+2
-# Enthalpy of formation: -243.8 kcal/mol
- -analytic 9.5294e+001 4.1702e-002 -2.4460e+003 -3.8296e+001 -3.8195e+001
-# -Range: 0-300
-
-2.0000 F- + 1.0000 Ho+++ = HoF2+
- -llnl_gamma 4.0
- log_k +8.2976
- -delta_H 11.7152 kJ/mol # Calculated enthalpy of reaction HoF2+
-# Enthalpy of formation: -326.5 kcal/mol
- -analytic 2.2330e+002 8.3497e-002 -4.9105e+003 -9.0272e+001 -7.6690e+001
-# -Range: 0-300
-
-3.0000 F- + 1.0000 Ho+++ = HoF3
- -llnl_gamma 3.0
- log_k +10.9071
- -delta_H -12.7612 kJ/mol # Calculated enthalpy of reaction HoF3
-# Enthalpy of formation: -412.5 kcal/mol
- -analytic 4.1587e+002 1.3308e-001 -9.2193e+003 -1.6717e+002 -1.4398e+002
-# -Range: 0-300
-
-4.0000 F- + 1.0000 Ho+++ = HoF4-
- -llnl_gamma 4.0
- log_k +13.0035
- -delta_H -57.7392 kJ/mol # Calculated enthalpy of reaction HoF4-
-# Enthalpy of formation: -503.4 kcal/mol
- -analytic 4.4575e+002 1.3182e-001 -8.5485e+003 -1.7916e+002 -1.3352e+002
-# -Range: 0-300
-
-1.0000 Ho+++ + 1.0000 HPO4-- + 1.0000 H+ = HoH2PO4++
- -llnl_gamma 4.5
- log_k +9.4484
- -delta_H -17.9284 kJ/mol # Calculated enthalpy of reaction HoH2PO4+2
-# Enthalpy of formation: -482.1 kcal/mol
- -analytic 1.0273e+002 6.3161e-002 5.5160e+002 -4.6035e+001 8.5766e+000
-# -Range: 0-300
-
-1.0000 Ho+++ + 1.0000 HCO3- = HoHCO3++
- -llnl_gamma 4.5
- log_k +1.6991
- -delta_H 7.52283 kJ/mol # Calculated enthalpy of reaction HoHCO3+2
-# Enthalpy of formation: -332.1 kcal/mol
- -analytic 3.3420e+001 3.1394e-002 1.9804e+002 -1.6859e+001 3.0801e+000
-# -Range: 0-300
-
-1.0000 Ho+++ + 1.0000 HPO4-- = HoHPO4+
- -llnl_gamma 4.0
- log_k +5.8000
- -delta_H 0 # Not possible to calculate enthalpy of reaction HoHPO4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 NO3- + 1.0000 Ho+++ = HoNO3++
- -llnl_gamma 4.5
- log_k +0.2148
- -delta_H -30.0035 kJ/mol # Calculated enthalpy of reaction HoNO3+2
-# Enthalpy of formation: -225.6 kcal/mol
- -analytic 1.1069e+001 2.5142e-002 2.3943e+003 -1.0650e+001 3.7358e+001
-# -Range: 0-300
-
-1.0000 Ho+++ + 1.0000 H2O = HoO+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -16.0438
- -delta_H 108.437 kJ/mol # Calculated enthalpy of reaction HoO+
-# Enthalpy of formation: -211.4 kcal/mol
- -analytic 1.9152e+002 3.0627e-002 -1.3817e+004 -6.8846e+001 -2.1565e+002
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Ho+++ = HoO2- +4.0000 H+
- -llnl_gamma 4.0
- log_k -33.4804
- -delta_H 274.613 kJ/mol # Calculated enthalpy of reaction HoO2-
-# Enthalpy of formation: -240 kcal/mol
- -analytic 1.7987e+002 1.2731e-002 -2.0007e+004 -6.0642e+001 -3.1224e+002
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Ho+++ = HoO2H +3.0000 H+
- -llnl_gamma 3.0
- log_k -24.5377
- -delta_H 216.873 kJ/mol # Calculated enthalpy of reaction HoO2H
-# Enthalpy of formation: -253.8 kcal/mol
- -analytic 3.3877e+002 4.6282e-002 -2.2925e+004 -1.2133e+002 -3.5782e+002
-# -Range: 0-300
-
-1.0000 Ho+++ + 1.0000 H2O = HoOH++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -7.7609
- -delta_H 76.6383 kJ/mol # Calculated enthalpy of reaction HoOH+2
-# Enthalpy of formation: -219 kcal/mol
- -analytic 7.1326e+001 1.2657e-002 -6.2461e+003 -2.5018e+001 -9.7485e+001
-# -Range: 0-300
-
-1.0000 Ho+++ + 1.0000 HPO4-- = HoPO4 +1.0000 H+
- -llnl_gamma 3.0
- log_k +0.2782
- -delta_H 0 # Not possible to calculate enthalpy of reaction HoPO4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 SO4-- + 1.0000 Ho+++ = HoSO4+
- -llnl_gamma 4.0
- log_k +3.5697
- -delta_H 20.5016 kJ/mol # Calculated enthalpy of reaction HoSO4+
-# Enthalpy of formation: -381.5 kcal/mol
- -analytic 3.0709e+002 8.6579e-002 -9.0693e+003 -1.2078e+002 -1.4161e+002
-# -Range: 0-300
-
-2.0000 HAcetate + 1.0000 K+ = K(Acetate)2- +2.0000 H+
- -llnl_gamma 4.0
- log_k -10.2914
- -delta_H -1.79912 kJ/mol # Calculated enthalpy of reaction K(Acetate)2-
-# Enthalpy of formation: -292.9 kcal/mol
- -analytic -2.3036e+002 -4.6369e-002 7.0305e+003 8.4997e+001 1.0977e+002
-# -Range: 0-300
-
-1.0000 K+ + 1.0000 Br- = KBr
- -llnl_gamma 3.0
- log_k -1.7372
- -delta_H 12.5102 kJ/mol # Calculated enthalpy of reaction KBr
-# Enthalpy of formation: -86.32 kcal/mol
- -analytic 1.1320e+002 3.4227e-002 -3.6401e+003 -4.5633e+001 -5.6833e+001
-# -Range: 0-300
-
-1.0000 K+ + 1.0000 HAcetate = KAcetate +1.0000 H+
- -llnl_gamma 3.0
- log_k -5.0211
- -delta_H 4.8116 kJ/mol # Calculated enthalpy of reaction KAcetate
-# Enthalpy of formation: -175.22 kcal/mol
- -analytic -2.6676e-001 -3.2675e-003 -1.7143e+003 -7.1907e-003 1.7726e+005
-# -Range: 0-300
-
-1.0000 K+ + 1.0000 Cl- = KCl
- -llnl_gamma 3.0
- log_k -1.4946
- -delta_H 14.1963 kJ/mol # Calculated enthalpy of reaction KCl
-# Enthalpy of formation: -96.81 kcal/mol
- -analytic 1.3650e+002 3.8405e-002 -4.4014e+003 -5.4421e+001 -6.8721e+001
-# -Range: 0-300
-
-1.0000 K+ + 1.0000 HPO4-- = KHPO4-
- -llnl_gamma 4.0
- log_k +0.7800
- -delta_H 0 # Not possible to calculate enthalpy of reaction KHPO4-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 SO4-- + 1.0000 K+ + 1.0000 H+ = KHSO4
- -llnl_gamma 3.0
- log_k +0.8136
- -delta_H 29.8319 kJ/mol # Calculated enthalpy of reaction KHSO4
-# Enthalpy of formation: -270.54 kcal/mol
- -analytic 1.2620e+002 5.7349e-002 -3.3670e+003 -5.3003e+001 -5.2576e+001
-# -Range: 0-300
-
-1.0000 K+ + 1.0000 I- = KI
- -llnl_gamma 3.0
- log_k -1.598
- -delta_H 9.16296 kJ/mol # Calculated enthalpy of reaction KI
-# Enthalpy of formation: -71.68 kcal/mol
- -analytic 1.0816e+002 3.3683e-002 -3.2143e+003 -4.4054e+001 -5.0187e+001
-# -Range: 0-300
-
-1.0000 K+ + 1.0000 H2O = KOH +1.0000 H+
- -llnl_gamma 3.0
- log_k -14.46
- -delta_H 0 # Not possible to calculate enthalpy of reaction KOH
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 K+ = KP2O7--- +1.0000 H2O
- -llnl_gamma 4.0
- log_k -1.4286
- -delta_H 34.1393 kJ/mol # Calculated enthalpy of reaction KP2O7-3
-# Enthalpy of formation: -2516.36 kJ/mol
- -analytic 4.1930e+002 1.4676e-001 -1.1169e+004 -1.7255e+002 -1.7441e+002
-# -Range: 0-300
-
-1.0000 SO4-- + 1.0000 K+ = KSO4-
- -llnl_gamma 4.0
- log_k +0.8796
- -delta_H 2.88696 kJ/mol # Calculated enthalpy of reaction KSO4-
-# Enthalpy of formation: -276.98 kcal/mol
- -analytic 9.9073e+001 3.7817e-002 -2.1628e+003 -4.1297e+001 -3.3779e+001
-# -Range: 0-300
-
-2.0000 HAcetate + 1.0000 La+++ = La(Acetate)2+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -5.3949
- -delta_H -23.1375 kJ/mol # Calculated enthalpy of reaction La(Acetate)2+
-# Enthalpy of formation: -407.33 kcal/mol
- -analytic -1.2805e+001 2.8482e-003 -2.2521e+003 2.9108e+000 6.1659e+005
-# -Range: 0-300
-
-3.0000 HAcetate + 1.0000 La+++ = La(Acetate)3 +3.0000 H+
- -llnl_gamma 3.0
- log_k -8.5982
- -delta_H -41.9237 kJ/mol # Calculated enthalpy of reaction La(Acetate)3
-# Enthalpy of formation: -527.92 kcal/mol
- -analytic -3.3456e+001 1.2371e-003 -1.5978e+003 8.6343e+000 7.5717e+005
-# -Range: 0-300
-
-2.0000 HCO3- + 1.0000 La+++ = La(CO3)2- +2.0000 H+
- -llnl_gamma 4.0
- log_k -8.8576
- -delta_H 0 # Not possible to calculate enthalpy of reaction La(CO3)2-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 La+++ = La(HPO4)2-
- -llnl_gamma 4.0
- log_k +8.4000
- -delta_H 0 # Not possible to calculate enthalpy of reaction La(HPO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 La+++ = La(PO4)2--- +2.0000 H+
- -llnl_gamma 4.0
- log_k -7.0437
- -delta_H 0 # Not possible to calculate enthalpy of reaction La(PO4)2-3
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 SO4-- + 1.0000 La+++ = La(SO4)2-
- -llnl_gamma 4.0
- log_k +5.1000
- -delta_H 0 # Not possible to calculate enthalpy of reaction La(SO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 La+++ + 2.0000 H2O = La2(OH)2++++ +2.0000 H+
- -llnl_gamma 5.5
- log_k -22.9902
- -delta_H 0 # Not possible to calculate enthalpy of reaction La2(OH)2+4
-# Enthalpy of formation: -0 kcal/mol
-
-9.0000 H2O + 5.0000 La+++ = La5(OH)9+6 +9.0000 H+
- -llnl_gamma 6.0
- log_k -71.1557
- -delta_H 0 # Not possible to calculate enthalpy of reaction La5(OH)9+6
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 La+++ + 1.0000 HAcetate = LaAcetate++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -2.2063
- -delta_H -12.5938 kJ/mol # Calculated enthalpy of reaction LaAcetate+2
-# Enthalpy of formation: -288.71 kcal/mol
- -analytic -1.0803e+001 8.5239e-004 -1.1143e+003 3.3273e+000 3.4305e+005
-# -Range: 0-300
-
-1.0000 La+++ + 1.0000 HCO3- = LaCO3+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -3.212
- -delta_H 89.5292 kJ/mol # Calculated enthalpy of reaction LaCO3+
-# Enthalpy of formation: -313.1 kcal/mol
- -analytic 2.3046e+002 5.2419e-002 -7.1063e+003 -9.1109e+001 -1.1095e+002
-# -Range: 0-300
-
-1.0000 La+++ + 1.0000 Cl- = LaCl++
- -llnl_gamma 4.5
- log_k +0.3086
- -delta_H 14.3637 kJ/mol # Calculated enthalpy of reaction LaCl+2
-# Enthalpy of formation: -206.1 kcal/mol
- -analytic 7.5802e+001 3.6641e-002 -1.7234e+003 -3.2578e+001 -2.6914e+001
-# -Range: 0-300
-
-2.0000 Cl- + 1.0000 La+++ = LaCl2+
- -llnl_gamma 4.0
- log_k -0.0425
- -delta_H 19.1041 kJ/mol # Calculated enthalpy of reaction LaCl2+
-# Enthalpy of formation: -244.9 kcal/mol
- -analytic 2.1632e+002 7.9274e-002 -5.5883e+003 -8.9400e+001 -8.7264e+001
-# -Range: 0-300
-
-3.0000 Cl- + 1.0000 La+++ = LaCl3
- -llnl_gamma 3.0
- log_k -0.3936
- -delta_H 12.5478 kJ/mol # Calculated enthalpy of reaction LaCl3
-# Enthalpy of formation: -286.4 kcal/mol
- -analytic 4.2210e+002 1.2792e-001 -1.1444e+004 -1.7062e+002 -1.7869e+002
-# -Range: 0-300
-
-4.0000 Cl- + 1.0000 La+++ = LaCl4-
- -llnl_gamma 4.0
- log_k -0.818
- -delta_H -7.81571 kJ/mol # Calculated enthalpy of reaction LaCl4-
-# Enthalpy of formation: -331.2 kcal/mol
- -analytic 4.8802e+002 1.3053e-001 -1.3344e+004 -1.9518e+002 -2.0836e+002
-# -Range: 0-300
-
-1.0000 La+++ + 1.0000 F- = LaF++
- -llnl_gamma 4.5
- log_k +3.8556
- -delta_H 26.5684 kJ/mol # Calculated enthalpy of reaction LaF+2
-# Enthalpy of formation: -243.4 kcal/mol
- -analytic 9.6765e+001 4.0513e-002 -2.8042e+003 -3.8617e+001 -4.3785e+001
-# -Range: 0-300
-
-2.0000 F- + 1.0000 La+++ = LaF2+
- -llnl_gamma 4.0
- log_k +6.6850
- -delta_H 19.6648 kJ/mol # Calculated enthalpy of reaction LaF2+
-# Enthalpy of formation: -325.2 kcal/mol
- -analytic 2.3923e+002 8.3559e-002 -6.0536e+003 -9.5821e+001 -9.4531e+001
-# -Range: 0-300
-
-3.0000 F- + 1.0000 La+++ = LaF3
- -llnl_gamma 3.0
- log_k +8.7081
- -delta_H -0.6276 kJ/mol # Calculated enthalpy of reaction LaF3
-# Enthalpy of formation: -410.2 kcal/mol
- -analytic 4.5123e+002 1.3460e-001 -1.1334e+004 -1.7967e+002 -1.7699e+002
-# -Range: 0-300
-
-4.0000 F- + 1.0000 La+++ = LaF4-
- -llnl_gamma 4.0
- log_k +10.3647
- -delta_H -41.4216 kJ/mol # Calculated enthalpy of reaction LaF4-
-# Enthalpy of formation: -500.1 kcal/mol
- -analytic 5.0747e+002 1.3563e-001 -1.1903e+004 -2.0108e+002 -1.8588e+002
-# -Range: 0-300
-
-1.0000 La+++ + 1.0000 HPO4-- + 1.0000 H+ = LaH2PO4++
- -llnl_gamma 4.5
- log_k +9.7417
- -delta_H -18.3468 kJ/mol # Calculated enthalpy of reaction LaH2PO4+2
-# Enthalpy of formation: -482.8 kcal/mol
- -analytic 1.0530e+002 6.2177e-002 4.0686e+002 -4.6642e+001 6.3174e+000
-# -Range: 0-300
-
-1.0000 La+++ + 1.0000 HCO3- = LaHCO3++
- -llnl_gamma 4.5
- log_k +1.9923
- -delta_H 6.68603 kJ/mol # Calculated enthalpy of reaction LaHCO3+2
-# Enthalpy of formation: -332.9 kcal/mol
- -analytic 3.6032e+001 3.0405e-002 5.1281e+001 -1.7478e+001 7.8933e-001
-# -Range: 0-300
-
-1.0000 La+++ + 1.0000 HPO4-- = LaHPO4+
- -llnl_gamma 4.0
- log_k +5.1000
- -delta_H 0 # Not possible to calculate enthalpy of reaction LaHPO4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 NO3- + 1.0000 La+++ = LaNO3++
- -llnl_gamma 4.5
- log_k +0.5813
- -delta_H -29.1667 kJ/mol # Calculated enthalpy of reaction LaNO3+2
-# Enthalpy of formation: -226 kcal/mol
- -analytic 1.4136e+001 2.4247e-002 2.1998e+003 -1.1371e+001 3.4322e+001
-# -Range: 0-300
-
-1.0000 La+++ + 1.0000 H2O = LaO+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -18.1696
- -delta_H 121.407 kJ/mol # Calculated enthalpy of reaction LaO+
-# Enthalpy of formation: -208.9 kcal/mol
- -analytic 1.8691e+002 2.9275e-002 -1.4385e+004 -6.6906e+001 -2.2452e+002
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 La+++ = LaO2- +4.0000 H+
- -llnl_gamma 4.0
- log_k -40.8105
- -delta_H 318.126 kJ/mol # Calculated enthalpy of reaction LaO2-
-# Enthalpy of formation: -230.2 kcal/mol
- -analytic 1.8374e+002 1.2355e-002 -2.2472e+004 -6.1779e+001 -3.5070e+002
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 La+++ = LaO2H +3.0000 H+
- -llnl_gamma 3.0
- log_k -27.9095
- -delta_H 237.375 kJ/mol # Calculated enthalpy of reaction LaO2H
-# Enthalpy of formation: -249.5 kcal/mol
- -analytic 3.3862e+002 4.4808e-002 -2.4083e+004 -1.2088e+002 -3.7589e+002
-# -Range: 0-300
-
-1.0000 La+++ + 1.0000 H2O = LaOH++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -8.6405
- -delta_H 82.4959 kJ/mol # Calculated enthalpy of reaction LaOH+2
-# Enthalpy of formation: -218.2 kcal/mol
- -analytic 6.5529e+001 1.1104e-002 -6.3920e+003 -2.2646e+001 -9.9760e+001
-# -Range: 0-300
-
-1.0000 La+++ + 1.0000 HPO4-- = LaPO4 +1.0000 H+
- -llnl_gamma 3.0
- log_k -1.3618
- -delta_H 0 # Not possible to calculate enthalpy of reaction LaPO4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 SO4-- + 1.0000 La+++ = LaSO4+
- -llnl_gamma 4.0
- log_k +3.6430
- -delta_H 18.4096 kJ/mol # Calculated enthalpy of reaction LaSO4+
-# Enthalpy of formation: -382.6 kcal/mol
- -analytic 3.0657e+002 8.4093e-002 -9.1074e+003 -1.2019e+002 -1.4220e+002
-# -Range: 0-300
-
-2.0000 HAcetate + 1.0000 Li+ = Li(Acetate)2- +2.0000 H+
- -llnl_gamma 4.0
- log_k -9.2674
- -delta_H -24.7609 kJ/mol # Calculated enthalpy of reaction Li(Acetate)2-
-# Enthalpy of formation: -304.67 kcal/mol
- -analytic -3.3702e+002 -6.0849e-002 1.1952e+004 1.2359e+002 1.8659e+002
-# -Range: 0-300
-
-1.0000 Li+ + 1.0000 HAcetate = LiAcetate +1.0000 H+
- -llnl_gamma 3.0
- log_k -4.4589
- -delta_H -6.64419 kJ/mol # Calculated enthalpy of reaction LiAcetate
-# Enthalpy of formation: -184.24 kcal/mol
- -analytic -3.8391e+000 -7.3938e-004 -1.0829e+003 3.4134e-001 2.1318e+005
-# -Range: 0-300
-
-1.0000 Li+ + 1.0000 Cl- = LiCl
- -llnl_gamma 3.0
- log_k -1.5115
- -delta_H 3.36812 kJ/mol # Calculated enthalpy of reaction LiCl
-# Enthalpy of formation: -105.68 kcal/mol
- -analytic 1.2484e+002 4.1941e-002 -3.2439e+003 -5.1708e+001 -5.0655e+001
-# -Range: 0-300
-
-1.0000 Li+ + 1.0000 H2O = LiOH +1.0000 H+
- -llnl_gamma 3.0
- log_k -13.64
- -delta_H 0 # Not possible to calculate enthalpy of reaction LiOH
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 SO4-- + 1.0000 Li+ = LiSO4-
- -llnl_gamma 4.0
- log_k +0.7700
- -delta_H 0 # Not possible to calculate enthalpy of reaction LiSO4-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HAcetate + 1.0000 Lu+++ = Lu(Acetate)2+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -4.9625
- -delta_H -38.5346 kJ/mol # Calculated enthalpy of reaction Lu(Acetate)2+
-# Enthalpy of formation: -409.31 kcal/mol
- -analytic -2.7341e+001 2.5097e-003 -1.4157e+003 7.5026e+000 6.9682e+005
-# -Range: 0-300
-
-3.0000 HAcetate + 1.0000 Lu+++ = Lu(Acetate)3 +3.0000 H+
- -llnl_gamma 3.0
- log_k -8.3489
- -delta_H -64.5173 kJ/mol # Calculated enthalpy of reaction Lu(Acetate)3
-# Enthalpy of formation: -531.62 kcal/mol
- -analytic -5.0225e+001 3.3508e-003 -6.2901e+002 1.3262e+001 9.0737e+005
-# -Range: 0-300
-
-2.0000 HCO3- + 1.0000 Lu+++ = Lu(CO3)2- +2.0000 H+
- -llnl_gamma 4.0
- log_k -6.8576
- -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(CO3)2-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Lu+++ = Lu(HPO4)2-
- -llnl_gamma 4.0
- log_k +10.3000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(HPO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Lu+++ = Lu(PO4)2--- +2.0000 H+
- -llnl_gamma 4.0
- log_k -2.7437
- -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(PO4)2-3
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 SO4-- + 1.0000 Lu+++ = Lu(SO4)2-
- -llnl_gamma 4.0
- log_k +5.3000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(SO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Lu+++ + 1.0000 HAcetate = LuAcetate++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -2.1037
- -delta_H -18.9703 kJ/mol # Calculated enthalpy of reaction LuAcetate+2
-# Enthalpy of formation: -288.534 kcal/mol
- -analytic -6.5982e+000 2.4512e-003 -1.2666e+003 1.4226e+000 4.0045e+005
-# -Range: 0-300
-
-1.0000 Lu+++ + 1.0000 HCO3- = LuCO3+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -2.0392
- -delta_H 78.2324 kJ/mol # Calculated enthalpy of reaction LuCO3+
-# Enthalpy of formation: -314.1 kcal/mol
- -analytic 2.3840e+002 5.4774e-002 -6.8317e+003 -9.4500e+001 -1.0667e+002
-# -Range: 0-300
-
-1.0000 Lu+++ + 1.0000 Cl- = LuCl++
- -llnl_gamma 4.5
- log_k -0.0579
- -delta_H 13.5269 kJ/mol # Calculated enthalpy of reaction LuCl+2
-# Enthalpy of formation: -204.6 kcal/mol
- -analytic 6.6161e+001 3.6521e-002 -1.2938e+003 -2.9397e+001 -2.0209e+001
-# -Range: 0-300
-
-2.0000 Cl- + 1.0000 Lu+++ = LuCl2+
- -llnl_gamma 4.0
- log_k -0.6289
- -delta_H 15.7569 kJ/mol # Calculated enthalpy of reaction LuCl2+
-# Enthalpy of formation: -244 kcal/mol
- -analytic 1.8608e+002 7.7283e-002 -4.2349e+003 -7.9007e+001 -6.6137e+001
-# -Range: 0-300
-
-3.0000 Cl- + 1.0000 Lu+++ = LuCl3
- -llnl_gamma 3.0
- log_k -1.1999
- -delta_H 3.56895 kJ/mol # Calculated enthalpy of reaction LuCl3
-# Enthalpy of formation: -286.846 kcal/mol
- -analytic 3.7060e+002 1.2564e-001 -8.9374e+003 -1.5325e+002 -1.3957e+002
-# -Range: 0-300
-
-4.0000 Cl- + 1.0000 Lu+++ = LuCl4-
- -llnl_gamma 4.0
- log_k -1.771
- -delta_H -25.8069 kJ/mol # Calculated enthalpy of reaction LuCl4-
-# Enthalpy of formation: -333.8 kcal/mol
- -analytic 3.8876e+002 1.2200e-001 -8.6965e+003 -1.6071e+002 -1.3582e+002
-# -Range: 0-300
-
-1.0000 Lu+++ + 1.0000 F- = LuF++
- -llnl_gamma 4.5
- log_k +4.8085
- -delta_H 25.7316 kJ/mol # Calculated enthalpy of reaction LuF+2
-# Enthalpy of formation: -241.9 kcal/mol
- -analytic 9.0303e+001 4.0963e-002 -2.4140e+003 -3.6203e+001 -3.7694e+001
-# -Range: 0-300
-
-2.0000 F- + 1.0000 Lu+++ = LuF2+
- -llnl_gamma 4.0
- log_k +8.4442
- -delta_H 14.2256 kJ/mol # Calculated enthalpy of reaction LuF2+
-# Enthalpy of formation: -324.8 kcal/mol
- -analytic 2.1440e+002 8.2559e-002 -4.7009e+003 -8.6790e+001 -7.3417e+001
-# -Range: 0-300
-
-3.0000 F- + 1.0000 Lu+++ = LuF3
- -llnl_gamma 3.0
- log_k +11.0999
- -delta_H -12.3428 kJ/mol # Calculated enthalpy of reaction LuF3
-# Enthalpy of formation: -411.3 kcal/mol
- -analytic 4.0247e+002 1.3233e-001 -8.6775e+003 -1.6232e+002 -1.3552e+002
-# -Range: 0-300
-
-4.0000 F- + 1.0000 Lu+++ = LuF4-
- -llnl_gamma 4.0
- log_k +13.2967
- -delta_H -64.0152 kJ/mol # Calculated enthalpy of reaction LuF4-
-# Enthalpy of formation: -503.8 kcal/mol
- -analytic 4.2541e+002 1.3070e-001 -7.4276e+003 -1.7220e+002 -1.1603e+002
-# -Range: 0-300
-
-1.0000 Lu+++ + 1.0000 HPO4-- + 1.0000 H+ = LuH2PO4++
- -llnl_gamma 4.5
- log_k +9.5950
- -delta_H -23.786 kJ/mol # Calculated enthalpy of reaction LuH2PO4+2
-# Enthalpy of formation: -482.4 kcal/mol
- -analytic 9.4223e+001 6.1797e-002 1.1102e+003 -4.3131e+001 1.7296e+001
-# -Range: 0-300
-
-1.0000 Lu+++ + 1.0000 HCO3- = LuHCO3++
- -llnl_gamma 4.5
- log_k +1.9190
- -delta_H 1.66523 kJ/mol # Calculated enthalpy of reaction LuHCO3+2
-# Enthalpy of formation: -332.4 kcal/mol
- -analytic 2.3187e+001 2.9604e-002 8.1268e+002 -1.3252e+001 1.2674e+001
-# -Range: 0-300
-
-1.0000 Lu+++ + 1.0000 HPO4-- = LuHPO4+
- -llnl_gamma 4.0
- log_k +6.0000
- -delta_H 0 # Not possible to calculate enthalpy of reaction LuHPO4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 NO3- + 1.0000 Lu+++ = LuNO3++
- -llnl_gamma 4.5
- log_k +0.5813
- -delta_H -41.7187 kJ/mol # Calculated enthalpy of reaction LuNO3+2
-# Enthalpy of formation: -227.3 kcal/mol
- -analytic 1.7412e+000 2.3703e-002 3.2605e+003 -7.7334e+000 5.0876e+001
-# -Range: 0-300
-
-1.0000 Lu+++ + 1.0000 H2O = LuO+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -15.3108
- -delta_H 99.6503 kJ/mol # Calculated enthalpy of reaction LuO+
-# Enthalpy of formation: -212.4 kcal/mol
- -analytic 1.5946e+002 2.6603e-002 -1.2215e+004 -5.7276e+001 -1.9065e+002
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Lu+++ = LuO2- +4.0000 H+
- -llnl_gamma 4.0
- log_k -31.9411
- -delta_H 258.713 kJ/mol # Calculated enthalpy of reaction LuO2-
-# Enthalpy of formation: -242.7 kcal/mol
- -analytic 1.1522e+002 5.0221e-003 -1.6847e+004 -3.7244e+001 -2.6292e+002
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Lu+++ = LuO2H +3.0000 H+
- -llnl_gamma 3.0
- log_k -23.878
- -delta_H 206.832 kJ/mol # Calculated enthalpy of reaction LuO2H
-# Enthalpy of formation: -255.1 kcal/mol
- -analytic 2.8768e+002 4.2338e-002 -2.0443e+004 -1.0330e+002 -3.1907e+002
-# -Range: 0-300
-
-1.0000 Lu+++ + 1.0000 H2O = LuOH++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -7.6143
- -delta_H 72.0359 kJ/mol # Calculated enthalpy of reaction LuOH+2
-# Enthalpy of formation: -219 kcal/mol
- -analytic 4.2937e+001 9.2421e-003 -4.9953e+003 -1.4769e+001 -7.7960e+001
-# -Range: 0-300
-
-1.0000 Lu+++ + 1.0000 HPO4-- = LuPO4 +1.0000 H+
- -llnl_gamma 3.0
- log_k +0.6782
- -delta_H 0 # Not possible to calculate enthalpy of reaction LuPO4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 SO4-- + 1.0000 Lu+++ = LuSO4+
- -llnl_gamma 4.0
- log_k +3.5697
- -delta_H 19.5393 kJ/mol # Calculated enthalpy of reaction LuSO4+
-# Enthalpy of formation: -380.63 kcal/mol
- -analytic 3.0108e+002 8.5238e-002 -8.8411e+003 -1.1850e+002 -1.3805e+002
-# -Range: 0-300
-
-2.0000 HAcetate + 1.0000 Mg++ = Mg(Acetate)2 +2.0000 H+
- -llnl_gamma 3.0
- log_k -7.473
- -delta_H -23.8195 kJ/mol # Calculated enthalpy of reaction Mg(Acetate)2
-# Enthalpy of formation: -349.26 kcal/mol
- -analytic -4.3954e+001 -3.1842e-004 -1.2033e+003 1.3556e+001 6.3058e+005
-# -Range: 0-300
-
-4.0000 Mg++ + 4.0000 H2O = Mg4(OH)4++++ +4.0000 H+
- -llnl_gamma 5.5
- log_k -39.75
- -delta_H 0 # Not possible to calculate enthalpy of reaction Mg4(OH)4+4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Mg++ + 1.0000 H2O + 1.0000 B(OH)3 = MgB(OH)4+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -7.3467
- -delta_H 0 # Not possible to calculate enthalpy of reaction MgB(OH)4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Mg++ + 1.0000 HAcetate = MgAcetate+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -3.4781
- -delta_H -8.42239 kJ/mol # Calculated enthalpy of reaction MgAcetate+
-# Enthalpy of formation: -229.48 kcal/mol
- -analytic -2.3548e+001 -1.6071e-003 -4.2228e+002 7.7009e+000 2.5981e+005
-# -Range: 0-300
-
-1.0000 Mg++ + 1.0000 HCO3- = MgCO3 +1.0000 H+
- -llnl_gamma 3.0
- log_k -7.3499
- -delta_H 23.8279 kJ/mol # Calculated enthalpy of reaction MgCO3
-# Enthalpy of formation: -270.57 kcal/mol
- -analytic 2.3465e+002 5.5538e-002 -8.3947e+003 -9.3104e+001 -1.3106e+002
-# -Range: 0-300
-
-1.0000 Mg++ + 1.0000 Cl- = MgCl+
- -llnl_gamma 4.0
- log_k -0.1349
- -delta_H -0.58576 kJ/mol # Calculated enthalpy of reaction MgCl+
-# Enthalpy of formation: -151.44 kcal/mol
- -analytic 4.3363e+001 3.2858e-002 1.1878e+002 -2.1688e+001 1.8403e+000
-# -Range: 0-300
-
-1.0000 Mg++ + 1.0000 F- = MgF+
- -llnl_gamma 4.0
- log_k +1.3524
- -delta_H 2.37233 kJ/mol # Calculated enthalpy of reaction MgF+
-# Enthalpy of formation: -190.95 kcal/mol
- -analytic 6.4311e+001 3.5184e-002 -7.3241e+002 -2.8678e+001 -1.1448e+001
-# -Range: 0-300
-
-1.0000 Mg++ + 1.0000 HPO4-- + 1.0000 H+ = MgH2PO4+
- -llnl_gamma 4.0
- log_k +1.6600
- -delta_H 0 # Not possible to calculate enthalpy of reaction MgH2PO4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Mg++ + 1.0000 HCO3- = MgHCO3+
- -llnl_gamma 4.0
- log_k +1.0357
- -delta_H 2.15476 kJ/mol # Calculated enthalpy of reaction MgHCO3+
-# Enthalpy of formation: -275.75 kcal/mol
- -analytic 3.8459e+001 3.0076e-002 9.8068e+001 -1.8869e+001 1.5187e+000
-# -Range: 0-300
-
-1.0000 Mg++ + 1.0000 HPO4-- = MgHPO4
- -llnl_gamma 3.0
- log_k +2.9100
- -delta_H 0 # Not possible to calculate enthalpy of reaction MgHPO4
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Mg++ = MgP2O7-- +1.0000 H2O
- -llnl_gamma 4.0
- log_k +3.4727
- -delta_H 38.5451 kJ/mol # Calculated enthalpy of reaction MgP2O7-2
-# Enthalpy of formation: -2725.74 kJ/mol
- -analytic 4.8038e+002 1.2530e-001 -1.5175e+004 -1.8724e+002 -2.3693e+002
-# -Range: 0-300
-
-1.0000 Mg++ + 1.0000 HPO4-- = MgPO4- +1.0000 H+
- -llnl_gamma 4.0
- log_k -5.7328
- -delta_H 0 # Not possible to calculate enthalpy of reaction MgPO4-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 SO4-- + 1.0000 Mg++ = MgSO4
- -llnl_gamma 3.0
- log_k +2.4117
- -delta_H 19.6051 kJ/mol # Calculated enthalpy of reaction MgSO4
-# Enthalpy of formation: -1355.96 kJ/mol
- -analytic 1.7994e+002 6.4715e-002 -4.7314e+003 -7.3123e+001 -8.0408e+001
-# -Range: 0-200
-
-2.0000 HAcetate + 1.0000 Mn++ = Mn(Acetate)2 +2.0000 H+
- -llnl_gamma 3.0
- log_k -7.4547
- -delta_H -11.4893 kJ/mol # Calculated enthalpy of reaction Mn(Acetate)2
-# Enthalpy of formation: -287.67 kcal/mol
- -analytic -9.0558e-001 5.9656e-003 -4.3531e+003 -1.1063e+000 8.0323e+005
-# -Range: 0-300
-
-3.0000 HAcetate + 1.0000 Mn++ = Mn(Acetate)3- +3.0000 H+
- -llnl_gamma 4.0
- log_k -11.8747
- -delta_H -30.3591 kJ/mol # Calculated enthalpy of reaction Mn(Acetate)3-
-# Enthalpy of formation: -408.28 kcal/mol
- -analytic -3.8531e+000 -9.9140e-003 -1.2065e+004 5.1424e+000 2.0175e+006
-# -Range: 0-300
-
-2.0000 NO3- + 1.0000 Mn++ = Mn(NO3)2
- -llnl_gamma 3.0
- log_k +0.6000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Mn(NO3)2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H2O + 1.0000 Mn++ = Mn(OH)2 +2.0000 H+
- -llnl_gamma 3.0
- log_k -22.2
- -delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)2
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 H2O + 1.0000 Mn++ = Mn(OH)3- +3.0000 H+
- -llnl_gamma 4.0
- log_k -34.2278
- -delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)3-
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 H2O + 1.0000 Mn++ = Mn(OH)4-- +4.0000 H+
- -llnl_gamma 4.0
- log_k -48.3
- -delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)4-2
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 H2O + 2.0000 Mn++ = Mn2(OH)3+ +3.0000 H+
- -llnl_gamma 4.0
- log_k -23.9
- -delta_H 0 # Not possible to calculate enthalpy of reaction Mn2(OH)3+
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 Mn++ + 1.0000 H2O = Mn2OH+++ +1.0000 H+
- -llnl_gamma 5.0
- log_k -10.56
- -delta_H 0 # Not possible to calculate enthalpy of reaction Mn2OH+3
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Mn++ + 1.0000 HAcetate = MnAcetate+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -3.5404
- -delta_H -3.07942 kJ/mol # Calculated enthalpy of reaction MnAcetate+
-# Enthalpy of formation: -169.56 kcal/mol
- -analytic -1.4061e+001 1.8149e-003 -8.6438e+002 4.0354e+000 2.5831e+005
-# -Range: 0-300
-
-1.0000 Mn++ + 1.0000 HCO3- = MnCO3 +1.0000 H+
- -llnl_gamma 3.0
- log_k -5.8088
- -delta_H 0 # Not possible to calculate enthalpy of reaction MnCO3
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Mn++ + 1.0000 Cl- = MnCl+
- -llnl_gamma 4.0
- log_k +0.3013
- -delta_H 18.3134 kJ/mol # Calculated enthalpy of reaction MnCl+
-# Enthalpy of formation: -88.28 kcal/mol
- -analytic 8.7072e+001 4.0361e-002 -2.1786e+003 -3.6966e+001 -3.4022e+001
-# -Range: 0-300
-
-3.0000 Cl- + 1.0000 Mn++ = MnCl3-
- -llnl_gamma 4.0
- log_k -0.3324
- -delta_H 0 # Not possible to calculate enthalpy of reaction MnCl3-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Mn++ + 1.0000 F- = MnF+
- -llnl_gamma 4.0
- log_k +1.4300
- -delta_H 0 # Not possible to calculate enthalpy of reaction MnF+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Mn++ + 1.0000 HPO4-- + 1.0000 H+ = MnH2PO4+
- -llnl_gamma 4.0
- log_k +8.5554
- -delta_H 0 # Not possible to calculate enthalpy of reaction MnH2PO4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Mn++ + 1.0000 HCO3- = MnHCO3+
- -llnl_gamma 4.0
- log_k +0.8816
- -delta_H 0 # Not possible to calculate enthalpy of reaction MnHCO3+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Mn++ + 1.0000 HPO4-- = MnHPO4
- -llnl_gamma 3.0
- log_k +3.5800
- -delta_H 0 # Not possible to calculate enthalpy of reaction MnHPO4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 NO3- + 1.0000 Mn++ = MnNO3+
- -llnl_gamma 4.0
- log_k +0.2000
- -delta_H 0 # Not possible to calculate enthalpy of reaction MnNO3+
-# Enthalpy of formation: -0 kcal/mol
-
-1.5000 H2O + 1.2500 O2 + 1.0000 Mn++ = MnO4- +3.0000 H+
- -llnl_gamma 3.5
- log_k -20.2963
- -delta_H 123.112 kJ/mol # Calculated enthalpy of reaction MnO4-
-# Enthalpy of formation: -129.4 kcal/mol
- -analytic 1.8544e+001 -1.7618e-002 -6.7332e+003 -3.3193e+000 -2.4924e+005
-# -Range: 0-300
-
-1.0000 Mn++ + 1.0000 H2O = MnOH+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -10.59
- -delta_H 0 # Not possible to calculate enthalpy of reaction MnOH+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Mn++ + 1.0000 HPO4-- = MnPO4- +1.0000 H+
- -llnl_gamma 4.0
- log_k -5.1318
- -delta_H 0 # Not possible to calculate enthalpy of reaction MnPO4-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 SO4-- + 1.0000 Mn++ = MnSO4
- -llnl_gamma 3.0
- log_k +2.3529
- -delta_H 14.1168 kJ/mol # Calculated enthalpy of reaction MnSO4
-# Enthalpy of formation: -266.75 kcal/mol
- -analytic 2.9448e+002 8.5294e-002 -8.1366e+003 -1.1729e+002 -1.2705e+002
-# -Range: 0-300
-
-1.0000 SeO4-- + 1.0000 Mn++ = MnSeO4
- -llnl_gamma 3.0
- log_k +2.4300
- -delta_H 0 # Not possible to calculate enthalpy of reaction MnSeO4
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HAcetate + 1.0000 NH3 = NH4(Acetate)2- +1.0000 H+
- -llnl_gamma 4.0
- log_k -0.1928
- -delta_H -56.735 kJ/mol # Calculated enthalpy of reaction NH4(Acetate)2-
-# Enthalpy of formation: -265.2 kcal/mol
- -analytic 3.7137e+001 -1.2242e-002 -8.4764e+003 -8.4308e+000 1.3883e+006
-# -Range: 0-300
-
-1.0000 NH3 + 1.0000 H+ = NH4+
- -llnl_gamma 2.5
- log_k +9.2410
- -delta_H -51.9234 kJ/mol # Calculated enthalpy of reaction NH4+
-# Enthalpy of formation: -31.85 kcal/mol
- -analytic -1.4527e+001 -5.0518e-003 3.0447e+003 6.0865e+000 4.7515e+001
-# -Range: 0-300
-
-1.0000 NH3 + 1.0000 HAcetate = NH4Acetate
- -llnl_gamma 3.0
- log_k +4.6964
- -delta_H -48.911 kJ/mol # Calculated enthalpy of reaction NH4Acetate
-# Enthalpy of formation: -147.23 kcal/mol
- -analytic 1.4104e+001 -4.3664e-003 -1.0746e+003 -3.6999e+000 4.1428e+005
-# -Range: 0-300
-
-1.0000 SO4-- + 1.0000 NH3 + 1.0000 H+ = NH4SO4-
- -llnl_gamma 4.0
- log_k +0.9400
- -delta_H 0 # Not possible to calculate enthalpy of reaction NH4SO4-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Sb(OH)3 + 1.0000 NH3 = NH4SbO2 +1.0000 H2O
- -llnl_gamma 3.0
- log_k -2.5797
- -delta_H 0 # Not possible to calculate enthalpy of reaction NH4SbO2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HAcetate + 1.0000 Na+ = Na(Acetate)2- +2.0000 H+
- -llnl_gamma 4.0
- log_k -9.9989
- -delta_H -11.5771 kJ/mol # Calculated enthalpy of reaction Na(Acetate)2-
-# Enthalpy of formation: -292.4 kcal/mol
- -analytic -2.9232e+002 -5.5708e-002 9.6601e+003 1.0772e+002 1.5082e+002
-# -Range: 0-300
-
-1.0000 O_phthalate-2 + 1.0000 Na+ = Na(O_phthalate)-
- -llnl_gamma 4.0
- log_k +0.7000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Na(O_phthalate)-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 Na+ + 2.0000 HPO4-- = Na2P2O7-- +1.0000 H2O
- -llnl_gamma 4.0
- log_k +0.4437
- -delta_H 0 # Not possible to calculate enthalpy of reaction Na2P2O7-2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H2O + 1.0000 Na+ + 1.0000 Al+++ = NaAlO2 +4.0000 H+
- -llnl_gamma 3.0
- log_k -23.6266
- -delta_H 190.326 kJ/mol # Calculated enthalpy of reaction NaAlO2
-# Enthalpy of formation: -277.259 kcal/mol
- -analytic 1.2288e+002 3.4921e-002 -1.2808e+004 -4.6046e+001 -1.9990e+002
-# -Range: 0-300
-
-1.0000 Na+ + 1.0000 H2O + 1.0000 B(OH)3 = NaB(OH)4 +1.0000 H+
- -llnl_gamma 3.0
- log_k -8.974
- -delta_H 0 # Not possible to calculate enthalpy of reaction NaB(OH)4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Na+ + 1.0000 Br- = NaBr
- -llnl_gamma 3.0
- log_k -1.3568
- -delta_H 6.87431 kJ/mol # Calculated enthalpy of reaction NaBr
-# Enthalpy of formation: -84.83 kcal/mol
- -analytic 1.1871e+002 3.7271e-002 -3.4061e+003 -4.8386e+001 -5.3184e+001
-# -Range: 0-300
-
-1.0000 Na+ + 1.0000 HAcetate = NaAcetate +1.0000 H+
- -llnl_gamma 3.0
- log_k -4.8606
- -delta_H -0.029288 kJ/mol # Calculated enthalpy of reaction NaAcetate
-# Enthalpy of formation: -173.54 kcal/mol
- -analytic 6.4833e+000 -1.8739e-003 -2.0902e+003 -2.6121e+000 2.3990e+005
-# -Range: 0-300
-
-1.0000 Na+ + 1.0000 HCO3- = NaCO3- +1.0000 H+
- -llnl_gamma 4.0
- log_k -9.8144
- -delta_H -5.6521 kJ/mol # Calculated enthalpy of reaction NaCO3-
-# Enthalpy of formation: -935.885 kJ/mol
- -analytic 1.6939e+002 5.3122e-004 -7.6768e+003 -6.2078e+001 -1.1984e+002
-# -Range: 0-300
-
-1.0000 Na+ + 1.0000 Cl- = NaCl
- -llnl_gamma 3.0
- log_k -0.777
- -delta_H 5.21326 kJ/mol # Calculated enthalpy of reaction NaCl
-# Enthalpy of formation: -96.12 kcal/mol
- -analytic 1.1398e+002 3.6386e-002 -3.0847e+003 -4.6571e+001 -4.8167e+001
-# -Range: 0-300
-
-1.0000 Na+ + 1.0000 F- = NaF
- -llnl_gamma 3.0
- log_k -0.9976
- -delta_H 7.20903 kJ/mol # Calculated enthalpy of reaction NaF
-# Enthalpy of formation: -135.86 kcal/mol
- -analytic 1.2507e+002 3.8619e-002 -3.5436e+003 -5.0787e+001 -5.5332e+001
-# -Range: 0-300
-
-1.0000 Na+ + 1.0000 HCO3- = NaHCO3
- -llnl_gamma 3.0
- log_k +0.1541
- -delta_H -13.7741 kJ/mol # Calculated enthalpy of reaction NaHCO3
-# Enthalpy of formation: -944.007 kJ/mol
- -analytic -9.0668e+001 -2.9866e-002 2.7947e+003 3.6515e+001 4.7489e+001
-# -Range: 0-200
-
-2.0000 HPO4-- + 1.0000 Na+ + 1.0000 H+ = NaHP2O7-- +1.0000 H2O
- -llnl_gamma 4.0
- log_k +6.8498
- -delta_H 0 # Not possible to calculate enthalpy of reaction NaHP2O7-2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Na+ + 1.0000 HPO4-- = NaHPO4-
- -llnl_gamma 4.0
- log_k +0.9200
- -delta_H 0 # Not possible to calculate enthalpy of reaction NaHPO4-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 SiO2 + 1.0000 Na+ + 1.0000 H2O = NaHSiO3 +1.0000 H+
- -llnl_gamma 3.0
- log_k -8.304
- -delta_H 11.6524 kJ/mol # Calculated enthalpy of reaction NaHSiO3
-# Enthalpy of formation: -332.74 kcal/mol
- -analytic 3.6045e+001 -9.0411e-003 -6.6605e+003 -1.0447e+001 5.8415e+005
-# -Range: 0-300
-
-1.0000 Na+ + 1.0000 I- = NaI
- -llnl_gamma 3.0
- log_k -1.54
- -delta_H 7.33455 kJ/mol # Calculated enthalpy of reaction NaI
-# Enthalpy of formation: -69.28 kcal/mol
- -analytic 9.8742e+001 3.2917e-002 -2.7576e+003 -4.0748e+001 -4.3058e+001
-# -Range: 0-300
-
-1.0000 Na+ + 1.0000 H2O = NaOH +1.0000 H+
- -llnl_gamma 3.0
- log_k -14.7948
- -delta_H 53.6514 kJ/mol # Calculated enthalpy of reaction NaOH
-# Enthalpy of formation: -112.927 kcal/mol
- -analytic 8.7326e+001 2.3555e-002 -5.4770e+003 -3.6678e+001 -8.5489e+001
-# -Range: 0-300
-
-2.0000 HPO4-- + 1.0000 Na+ = NaP2O7--- +1.0000 H2O
- -llnl_gamma 4.0
- log_k -1.4563
- -delta_H 0 # Not possible to calculate enthalpy of reaction NaP2O7-3
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 SO4-- + 1.0000 Na+ = NaSO4-
- -llnl_gamma 4.0
- log_k +0.8200
- -delta_H 0 # Not possible to calculate enthalpy of reaction NaSO4-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HAcetate + 1.0000 Nd+++ = Nd(Acetate)2+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -4.9771
- -delta_H -22.6354 kJ/mol # Calculated enthalpy of reaction Nd(Acetate)2+
-# Enthalpy of formation: -404.11 kcal/mol
- -analytic -2.2128e+001 1.0975e-003 -7.1543e+002 5.8799e+000 4.1748e+005
-# -Range: 0-300
-
-3.0000 HAcetate + 1.0000 Nd+++ = Nd(Acetate)3 +3.0000 H+
- -llnl_gamma 3.0
- log_k -8.2976
- -delta_H -38.8694 kJ/mol # Calculated enthalpy of reaction Nd(Acetate)3
-# Enthalpy of formation: -524.09 kcal/mol
- -analytic -4.5726e+001 -2.6143e-003 5.9389e+002 1.2679e+001 4.3320e+005
-# -Range: 0-300
-
-2.0000 HCO3- + 1.0000 Nd+++ = Nd(CO3)2- +2.0000 H+
- -llnl_gamma 4.0
- log_k -8.0576
- -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(CO3)2-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Nd+++ = Nd(HPO4)2-
- -llnl_gamma 4.0
- log_k +9.1000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(HPO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-# Redundant with NdO2-
-#4.0000 H2O + 1.0000 Nd+++ = Nd(OH)4- +4.0000 H+
-# -llnl_gamma 4.0
-# log_k -37.0803
-# -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(OH)4-
-## Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Nd+++ = Nd(PO4)2--- +2.0000 H+
- -llnl_gamma 4.0
- log_k -5.1437
- -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(PO4)2-3
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 SO4-- + 1.0000 Nd+++ = Nd(SO4)2-
- -llnl_gamma 4.0
- log_k -255.7478
- -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(SO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 Nd+++ + 2.0000 H2O = Nd2(OH)2++++ +2.0000 H+
- -llnl_gamma 5.5
- log_k -13.8902
- -delta_H 0 # Not possible to calculate enthalpy of reaction Nd2(OH)2+4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Nd+++ + 1.0000 HAcetate = NdAcetate++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -2.0891
- -delta_H -12.0081 kJ/mol # Calculated enthalpy of reaction NdAcetate+2
-# Enthalpy of formation: -285.47 kcal/mol
- -analytic -1.6006e+001 4.1948e-004 -3.6469e+002 4.9280e+000 2.5187e+005
-# -Range: 0-300
-
-1.0000 Nd+++ + 1.0000 HCO3- = NdCO3+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -2.6256
- -delta_H 91.6212 kJ/mol # Calculated enthalpy of reaction NdCO3+
-# Enthalpy of formation: -309.5 kcal/mol
- -analytic 2.3399e+002 5.3454e-002 -7.0513e+003 -9.2500e+001 -1.1010e+002
-# -Range: 0-300
-
-1.0000 Nd+++ + 1.0000 Cl- = NdCl++
- -llnl_gamma 4.5
- log_k +0.3086
- -delta_H 14.3637 kJ/mol # Calculated enthalpy of reaction NdCl+2
-# Enthalpy of formation: -203 kcal/mol
- -analytic 9.4587e+001 3.9331e-002 -2.4200e+003 -3.9550e+001 -3.7790e+001
-# -Range: 0-300
-
-2.0000 Cl- + 1.0000 Nd+++ = NdCl2+
- -llnl_gamma 4.0
- log_k +0.0308
- -delta_H 20.3593 kJ/mol # Calculated enthalpy of reaction NdCl2+
-# Enthalpy of formation: -241.5 kcal/mol
- -analytic 2.5840e+002 8.4118e-002 -7.2056e+003 -1.0477e+002 -1.1251e+002
-# -Range: 0-300
-
-3.0000 Cl- + 1.0000 Nd+++ = NdCl3
- -llnl_gamma 3.0
- log_k -0.3203
- -delta_H 15.0582 kJ/mol # Calculated enthalpy of reaction NdCl3
-# Enthalpy of formation: -282.7 kcal/mol
- -analytic 4.9362e+002 1.3485e-001 -1.4309e+004 -1.9645e+002 -2.2343e+002
-# -Range: 0-300
-
-4.0000 Cl- + 1.0000 Nd+++ = NdCl4-
- -llnl_gamma 4.0
- log_k -0.7447
- -delta_H -3.21331 kJ/mol # Calculated enthalpy of reaction NdCl4-
-# Enthalpy of formation: -327 kcal/mol
- -analytic 6.0548e+002 1.4227e-001 -1.8055e+004 -2.3765e+002 -2.8191e+002
-# -Range: 0-300
-
-1.0000 Nd+++ + 1.0000 F- = NdF++
- -llnl_gamma 4.5
- log_k +4.3687
- -delta_H 22.8028 kJ/mol # Calculated enthalpy of reaction NdF+2
-# Enthalpy of formation: -241.2 kcal/mol
- -analytic 1.1461e+002 4.3014e-002 -3.2461e+003 -4.5326e+001 -5.0687e+001
-# -Range: 0-300
-
-2.0000 F- + 1.0000 Nd+++ = NdF2+
- -llnl_gamma 4.0
- log_k +7.5646
- -delta_H 13.8072 kJ/mol # Calculated enthalpy of reaction NdF2+
-# Enthalpy of formation: -323.5 kcal/mol
- -analytic 2.7901e+002 8.7910e-002 -7.2424e+003 -1.1046e+002 -1.1309e+002
-# -Range: 0-300
-
-3.0000 F- + 1.0000 Nd+++ = NdF3
- -llnl_gamma 3.0
- log_k +9.8809
- -delta_H -8.1588 kJ/mol # Calculated enthalpy of reaction NdF3
-# Enthalpy of formation: -408.9 kcal/mol
- -analytic 5.2220e+002 1.4154e-001 -1.3697e+004 -2.0551e+002 -2.1388e+002
-# -Range: 0-300
-
-4.0000 F- + 1.0000 Nd+++ = NdF4-
- -llnl_gamma 4.0
- log_k +11.8307
- -delta_H -48.5344 kJ/mol # Calculated enthalpy of reaction NdF4-
-# Enthalpy of formation: -498.7 kcal/mol
- -analytic 6.1972e+002 1.4620e-001 -1.5869e+004 -2.4175e+002 -2.4780e+002
-# -Range: 0-300
-
-1.0000 Nd+++ + 1.0000 HPO4-- + 1.0000 H+ = NdH2PO4++
- -llnl_gamma 4.5
- log_k +9.5152
- -delta_H -15.736 kJ/mol # Calculated enthalpy of reaction NdH2PO4+2
-# Enthalpy of formation: -479.076 kcal/mol
- -analytic 1.2450e+002 6.4953e-002 -4.0524e+002 -5.3728e+001 -6.3603e+000
-# -Range: 0-300
-
-1.0000 Nd+++ + 1.0000 HCO3- = NdHCO3++
- -llnl_gamma 4.5
- log_k +1.8457
- -delta_H 9.19643 kJ/mol # Calculated enthalpy of reaction NdHCO3+2
-# Enthalpy of formation: -329.2 kcal/mol
- -analytic 5.5530e+001 3.3254e-002 -7.3859e+002 -2.4690e+001 -1.1542e+001
-# -Range: 0-300
-
-1.0000 Nd+++ + 1.0000 HPO4-- = NdHPO4+
- -llnl_gamma 4.0
- log_k +5.4000
- -delta_H 0 # Not possible to calculate enthalpy of reaction NdHPO4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Nd+++ + 1.0000 NO3- = NdNO3++
- -llnl_gamma 4.5
- log_k +0.7902
- -delta_H -27.8529 kJ/mol # Calculated enthalpy of reaction NdNO3+2
-# Enthalpy of formation: -222.586 kcal/mol
- -analytic 3.3850e+001 2.7112e-002 1.4404e+003 -1.8570e+001 2.2466e+001
-# -Range: 0-300
-
-1.0000 Nd+++ + 1.0000 H2O = NdO+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -17.0701
- -delta_H 116.386 kJ/mol # Calculated enthalpy of reaction NdO+
-# Enthalpy of formation: -207 kcal/mol
- -analytic 1.8961e+002 3.0563e-002 -1.4153e+004 -6.8024e+001 -2.2089e+002
-# -Range: 0-300
-2.0000 H2O + 1.0000 Nd+++ = NdO2- +4.0000 H+
- -llnl_gamma 4.0
- log_k -37.0721
- -delta_H 298.88 kJ/mol # Calculated enthalpy of reaction NdO2-
-# Enthalpy of formation: -231.7 kcal/mol
- -analytic 1.9606e+002 1.4784e-002 -2.1838e+004 -6.6399e+001 -3.4082e+002
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Nd+++ = NdO2H +3.0000 H+
- -llnl_gamma 3.0
- log_k -26.3702
- -delta_H 230.681 kJ/mol # Calculated enthalpy of reaction NdO2H
-# Enthalpy of formation: -248 kcal/mol
- -analytic 3.4617e+002 4.5955e-002 -2.3960e+004 -1.2361e+002 -3.7398e+002
-# -Range: 0-300
-
-1.0000 Nd+++ + 1.0000 H2O = NdOH++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -8.1274
- -delta_H 80.8223 kJ/mol # Calculated enthalpy of reaction NdOH+2
-# Enthalpy of formation: -215.5 kcal/mol
- -analytic 6.6963e+001 1.2182e-002 -6.2797e+003 -2.3300e+001 -9.8008e+001
-# -Range: 0-300
-
-1.0000 Nd+++ + 1.0000 HPO4-- = NdPO4 +1.0000 H+
- -llnl_gamma 3.0
- log_k -0.5218
- -delta_H 0 # Not possible to calculate enthalpy of reaction NdPO4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 SO4-- + 1.0000 Nd+++ = NdSO4+
- -llnl_gamma 4.0
- log_k +3.6430
- -delta_H 20.0832 kJ/mol # Calculated enthalpy of reaction NdSO4+
-# Enthalpy of formation: -379.1 kcal/mol
- -analytic 3.0267e+002 8.5362e-002 -8.9211e+003 -1.1902e+002 -1.3929e+002
-# -Range: 0-300
-
-2.0000 HAcetate + 1.0000 Ni++ = Ni(Acetate)2 +2.0000 H+
- -llnl_gamma 3.0
- log_k -7.1908
- -delta_H -25.8571 kJ/mol # Calculated enthalpy of reaction Ni(Acetate)2
-# Enthalpy of formation: -251.28 kcal/mol
- -analytic -2.9660e+001 1.0643e-003 -1.0060e+003 7.9358e+000 5.2562e+005
-# -Range: 0-300
-
-3.0000 HAcetate + 1.0000 Ni++ = Ni(Acetate)3- +3.0000 H+
- -llnl_gamma 4.0
- log_k -11.3543
- -delta_H -53.6807 kJ/mol # Calculated enthalpy of reaction Ni(Acetate)3-
-# Enthalpy of formation: -374.03 kcal/mol
- -analytic 5.0850e+001 -8.2435e-003 -1.3049e+004 -1.5410e+001 1.9704e+006
-# -Range: 0-300
-
-2.0000 NH3 + 1.0000 Ni++ = Ni(NH3)2++
- -llnl_gamma 4.5
- log_k +5.0598
- -delta_H -29.7505 kJ/mol # Calculated enthalpy of reaction Ni(NH3)2+2
-# Enthalpy of formation: -246.398 kJ/mol
- -analytic 1.0002e+002 5.2896e-003 -2.5967e+003 -3.5485e+001 -4.0548e+001
-# -Range: 0-300
-
-6.0000 NH3 + 1.0000 Ni++ = Ni(NH3)6++
- -llnl_gamma 4.5
- log_k +8.7344
- -delta_H -88.0436 kJ/mol # Calculated enthalpy of reaction Ni(NH3)6+2
-# Enthalpy of formation: -630.039 kJ/mol
- -analytic 1.9406e+002 -1.3467e-002 -5.2321e+003 -6.6168e+001 -8.1699e+001
-# -Range: 0-300
-
-2.0000 NO3- + 1.0000 Ni++ = Ni(NO3)2
- -llnl_gamma 3.0
- log_k +0.1899
- -delta_H -1.54153 kJ/mol # Calculated enthalpy of reaction Ni(NO3)2
-# Enthalpy of formation: -469.137 kJ/mol
- -analytic -4.2544e+001 -1.0101e-002 1.3496e+003 1.6663e+001 2.2933e+001
-# -Range: 0-200
-
-2.0000 H2O + 1.0000 Ni++ = Ni(OH)2 +2.0000 H+
- -llnl_gamma 3.0
- log_k -19.9902
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ni(OH)2
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 H2O + 1.0000 Ni++ = Ni(OH)3- +3.0000 H+
- -llnl_gamma 4.0
- log_k -30.9852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ni(OH)3-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 Ni++ + 1.0000 H2O = Ni2OH+++ +1.0000 H+
- -llnl_gamma 5.0
- log_k -10.7
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ni2OH+3
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 Ni++ + 4.0000 H2O = Ni4(OH)4++++ +4.0000 H+
- -llnl_gamma 5.5
- log_k -27.6803
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ni4(OH)4+4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Ni++ + 1.0000 Br- = NiBr+
- -llnl_gamma 4.0
- log_k -0.37
- -delta_H 0 # Not possible to calculate enthalpy of reaction NiBr+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Ni++ + 1.0000 HAcetate = NiAcetate+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -3.3278
- -delta_H -10.2508 kJ/mol # Calculated enthalpy of reaction NiAcetate+
-# Enthalpy of formation: -131.45 kcal/mol
- -analytic -3.3110e+000 1.6895e-003 -1.0556e+003 2.7168e-002 2.6350e+005
-# -Range: 0-300
-
-1.0000 Ni++ + 1.0000 Cl- = NiCl+
- -llnl_gamma 4.0
- log_k -0.9962
- -delta_H 5.99567 kJ/mol # Calculated enthalpy of reaction NiCl+
-# Enthalpy of formation: -51.4 kcal/mol
- -analytic 9.5370e+001 3.8521e-002 -2.1746e+003 -4.0629e+001 -3.3961e+001
-# -Range: 0-300
-
-2.0000 HPO4-- + 1.0000 Ni++ + 1.0000 H+ = NiHP2O7- +1.0000 H2O
- -llnl_gamma 4.0
- log_k +9.2680
- -delta_H 0 # Not possible to calculate enthalpy of reaction NiHP2O7-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Ni++ + 1.0000 NO3- = NiNO3+
- -llnl_gamma 4.0
- log_k +0.4000
- -delta_H 0 # Not possible to calculate enthalpy of reaction NiNO3+
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Ni++ = NiP2O7-- +1.0000 H2O
- -llnl_gamma 4.0
- log_k +3.1012
- -delta_H 9.68819 kJ/mol # Calculated enthalpy of reaction NiP2O7-2
-# Enthalpy of formation: -2342.61 kJ/mol
- -analytic 4.6809e+002 1.0985e-001 -1.4310e+004 -1.8173e+002 -2.2344e+002
-# -Range: 0-300
-
-1.0000 SO4-- + 1.0000 Ni++ = NiSO4
- -llnl_gamma 3.0
- log_k +2.1257
- -delta_H 2.36814 kJ/mol # Calculated enthalpy of reaction NiSO4
-# Enthalpy of formation: -229.734 kcal/mol
- -analytic 6.1187e+001 2.4211e-002 -1.2180e+003 -2.5130e+001 -2.0705e+001
-# -Range: 0-200
-
-1.0000 SeO4-- + 1.0000 Ni++ = NiSeO4
- -llnl_gamma 3.0
- log_k +2.6700
- -delta_H 0 # Not possible to calculate enthalpy of reaction NiSeO4
-# Enthalpy of formation: -0 kcal/mol
-
-5.0000 HCO3- + 1.0000 Np++++ = Np(CO3)5-6 +5.0000 H+
- -llnl_gamma 4.0
- log_k -13.344
- -delta_H 92.7067 kJ/mol # Calculated enthalpy of reaction Np(CO3)5-6
-# Enthalpy of formation: -935.22 kcal/mol
- -analytic 6.3005e+002 2.3388e-001 -1.8328e+004 -2.6334e+002 -2.8618e+002
-# -Range: 0-300
-
-2.0000 HPO4-- + 2.0000 H+ + 1.0000 Np+++ = Np(H2PO4)2+
- -llnl_gamma 4.0
- log_k +3.7000
- -delta_H -1.55258 kJ/mol # Calculated enthalpy of reaction Np(H2PO4)2+
-# Enthalpy of formation: -743.981 kcal/mol
- -analytic 7.8161e+002 2.8446e-001 -1.2330e+004 -3.3194e+002 -2.1056e+002
-# -Range: 25-150
-
-3.0000 HPO4-- + 3.0000 H+ + 1.0000 Np+++ = Np(H2PO4)3
- -llnl_gamma 3.0
- log_k +5.6000
- -delta_H -21.8575 kJ/mol # Calculated enthalpy of reaction Np(H2PO4)3
-# Enthalpy of formation: -1057.65 kcal/mol
- -analytic 1.5150e+003 4.4939e-001 -3.2766e+004 -6.1975e+002 -5.5934e+002
-# -Range: 25-150
-
-2.0000 HPO4-- + 1.0000 Np++++ = Np(HPO4)2
- -llnl_gamma 3.0
- log_k +23.7000
- -delta_H -35.24 kJ/mol # Calculated enthalpy of reaction Np(HPO4)2
-# Enthalpy of formation: -758.94 kcal/mol
- -analytic 4.7722e+002 2.1099e-001 -4.7296e+003 -2.0229e+002 -8.0831e+001
-# -Range: 25-150
-
-3.0000 HPO4-- + 1.0000 Np++++ = Np(HPO4)3--
- -llnl_gamma 4.0
- log_k +33.4000
- -delta_H -44.9093 kJ/mol # Calculated enthalpy of reaction Np(HPO4)3-2
-# Enthalpy of formation: -1070.07 kcal/mol
- -analytic -1.5951e+003 -3.6579e-001 5.1343e+004 6.3262e+002 8.7619e+002
-# -Range: 25-150
-
-4.0000 HPO4-- + 1.0000 Np++++ = Np(HPO4)4----
- -llnl_gamma 4.0
- log_k +43.2000
- -delta_H -67.0803 kJ/mol # Calculated enthalpy of reaction Np(HPO4)4-4
-# Enthalpy of formation: -1384.18 kcal/mol
- -analytic 5.8359e+003 1.5194e+000 -1.6349e+005 -2.3025e+003 -2.7903e+003
-# -Range: 25-150
-
-5.0000 HPO4-- + 1.0000 Np++++ = Np(HPO4)5-6
- -llnl_gamma 4.0
- log_k +52.0000
- -delta_H -83.5401 kJ/mol # Calculated enthalpy of reaction Np(HPO4)5-6
-# Enthalpy of formation: -1696.93 kcal/mol
- -analytic -1.8082e+003 -2.0018e-001 7.5155e+004 6.7400e+002 1.2824e+003
-# -Range: 25-150
-
-2.0000 H2O + 1.0000 Np++++ = Np(OH)2++ +2.0000 H+
- -llnl_gamma 4.5
- log_k -2.8
- -delta_H 77.0669 kJ/mol # Calculated enthalpy of reaction Np(OH)2+2
-# Enthalpy of formation: -251.102 kcal/mol
- -analytic 2.9299e+003 6.5812e-001 -9.5085e+004 -1.1356e+003 -1.6227e+003
-# -Range: 25-150
-
-3.0000 H2O + 1.0000 Np++++ = Np(OH)3+ +3.0000 H+
- -llnl_gamma 4.0
- log_k -5.8
- -delta_H 99.5392 kJ/mol # Calculated enthalpy of reaction Np(OH)3+
-# Enthalpy of formation: -314.048 kcal/mol
- -analytic -4.7723e+003 -1.1810e+000 1.3545e+005 1.8850e+003 2.3117e+003
-# -Range: 25-150
-
-4.0000 H2O + 1.0000 Np++++ = Np(OH)4 +4.0000 H+
- -llnl_gamma 3.0
- log_k -9.6
- -delta_H 109.585 kJ/mol # Calculated enthalpy of reaction Np(OH)4
-# Enthalpy of formation: -379.964 kcal/mol
- -analytic -5.5904e+003 -1.3639e+000 1.6112e+005 2.2013e+003 2.7498e+003
-# -Range: 25-150
-
-2.0000 SO4-- + 1.0000 Np++++ = Np(SO4)2
- -llnl_gamma 3.0
- log_k +9.9000
- -delta_H 40.005 kJ/mol # Calculated enthalpy of reaction Np(SO4)2
-# Enthalpy of formation: -558.126 kcal/mol
- -analytic -9.0765e+002 -1.8494e-001 2.7951e+004 3.5521e+002 4.7702e+002
-# -Range: 25-150
-
-1.0000 Np++++ + 1.0000 Cl- = NpCl+++
- -llnl_gamma 5.0
- log_k +0.2000
- -delta_H 20.3737 kJ/mol # Calculated enthalpy of reaction NpCl+3
-# Enthalpy of formation: -167.951 kcal/mol
- -analytic 8.3169e+002 2.6267e-001 -2.1618e+004 -3.3838e+002 -3.6898e+002
-# -Range: 25-150
-
-2.0000 Cl- + 1.0000 Np++++ = NpCl2++
- -llnl_gamma 4.5
- log_k -0.1
- -delta_H 94.5853 kJ/mol # Calculated enthalpy of reaction NpCl2+2
-# Enthalpy of formation: -190.147 kcal/mol
- -analytic -1.5751e+003 -3.8759e-001 4.2054e+004 6.2619e+002 7.1777e+002
-# -Range: 25-150
-
-1.0000 Np++++ + 1.0000 F- = NpF+++
- -llnl_gamma 5.0
- log_k +8.7000
- -delta_H -3.43746 kJ/mol # Calculated enthalpy of reaction NpF+3
-# Enthalpy of formation: -213.859 kcal/mol
- -analytic 2.7613e+000 1.3498e-003 -1.6411e+003 2.9074e+000 3.4192e+005
-# -Range: 25-150
-
-2.0000 F- + 1.0000 Np++++ = NpF2++
- -llnl_gamma 4.5
- log_k +15.4000
- -delta_H 6.03094 kJ/mol # Calculated enthalpy of reaction NpF2+2
-# Enthalpy of formation: -291.746 kcal/mol
- -analytic -2.6793e+002 -4.2056e-002 9.7952e+003 1.0629e+002 1.6715e+002
-# -Range: 25-150
-
-1.0000 Np+++ + 1.0000 HPO4-- + 1.0000 H+ = NpH2PO4++
- -llnl_gamma 4.5
- log_k +2.4000
- -delta_H 6.0874 kJ/mol # Calculated enthalpy of reaction NpH2PO4+2
-# Enthalpy of formation: -433.34 kcal/mol
- -analytic 6.0731e+003 1.4733e+000 -1.7919e+005 -2.3880e+003 -3.0582e+003
-# -Range: 25-150
-
-1.0000 Np++++ + 1.0000 HPO4-- = NpHPO4++
- -llnl_gamma 4.5
- log_k +12.9000
- -delta_H 7.54554 kJ/mol # Calculated enthalpy of reaction NpHPO4+2
-# Enthalpy of formation: -439.899 kcal/mol
- -analytic -7.2792e+003 -1.7476e+000 2.1770e+005 2.8624e+003 3.7154e+003
-# -Range: 25-150
-
-2.0000 HCO3- + 1.0000 NpO2++ = NpO2(CO3)2-- +2.0000 H+
- -llnl_gamma 4.0
- log_k -6.6576
- -delta_H 57.2588 kJ/mol # Calculated enthalpy of reaction NpO2(CO3)2-2
-# Enthalpy of formation: -521.77 kcal/mol
- -analytic 2.6597e+002 7.5850e-002 -9.9987e+003 -1.0576e+002 -1.5610e+002
-# -Range: 0-300
-
-2.0000 HCO3- + 1.0000 NpO2+ = NpO2(CO3)2--- +2.0000 H+
- -llnl_gamma 4.0
- log_k -13.6576
- -delta_H 58.1553 kJ/mol # Calculated enthalpy of reaction NpO2(CO3)2-3
-# Enthalpy of formation: -549.642 kcal/mol
- -analytic 2.6012e+002 7.3174e-002 -1.0250e+004 -1.0556e+002 -1.6002e+002
-# -Range: 0-300
-
-3.0000 HCO3- + 1.0000 NpO2+ = NpO2(CO3)3-5 +3.0000 H+
- -llnl_gamma 4.0
- log_k -22.4864
- -delta_H 70.176 kJ/mol # Calculated enthalpy of reaction NpO2(CO3)3-5
-# Enthalpy of formation: -711.667 kcal/mol
- -analytic 3.7433e+002 1.2938e-001 -1.2791e+004 -1.5861e+002 -1.9970e+002
-# -Range: 0-300
-
-3.0000 HCO3- + 1.0000 NpO2++ = NpO2(CO3)3---- +3.0000 H+
- -llnl_gamma 4.0
- log_k -10.5864
- -delta_H 3.14711 kJ/mol # Calculated enthalpy of reaction NpO2(CO3)3-4
-# Enthalpy of formation: -699.601 kcal/mol
- -analytic 3.7956e+002 1.1163e-001 -1.0607e+004 -1.5674e+002 -1.6562e+002
-# -Range: 0-300
-
-1.0000 NpO2+ + 1.0000 HCO3- = NpO2CO3- +1.0000 H+
- -llnl_gamma 4.0
- log_k -5.7288
- -delta_H 69.1634 kJ/mol # Calculated enthalpy of reaction NpO2CO3-
-# Enthalpy of formation: -382.113 kcal/mol
- -analytic 1.4634e+002 2.6576e-002 -8.2036e+003 -5.3534e+001 -1.2805e+002
-# -Range: 0-300
-
-1.0000 NpO2+ + 1.0000 Cl- = NpO2Cl
- -llnl_gamma 3.0
- log_k -0.4
- -delta_H 15.4492 kJ/mol # Calculated enthalpy of reaction NpO2Cl
-# Enthalpy of formation: -269.986 kcal/mol
- -analytic 4.5109e+002 9.0437e-002 -1.5453e+004 -1.7241e+002 -2.6371e+002
-# -Range: 25-150
-
-1.0000 NpO2++ + 1.0000 Cl- = NpO2Cl+
- -llnl_gamma 4.0
- log_k -0.2
- -delta_H 11.6239 kJ/mol # Calculated enthalpy of reaction NpO2Cl+
-# Enthalpy of formation: -242.814 kcal/mol
- -analytic -1.2276e+003 -2.5435e-001 3.8507e+004 4.7447e+002 6.5715e+002
-# -Range: 25-150
-
-1.0000 NpO2+ + 1.0000 F- = NpO2F
- -llnl_gamma 3.0
- log_k +1.0000
- -delta_H 34.2521 kJ/mol # Calculated enthalpy of reaction NpO2F
-# Enthalpy of formation: -305.709 kcal/mol
- -analytic -1.9364e+002 -4.4083e-002 4.5602e+003 7.7791e+001 7.7840e+001
-# -Range: 25-150
-
-1.0000 NpO2++ + 1.0000 F- = NpO2F+
- -llnl_gamma 4.0
- log_k +4.6000
- -delta_H 0.883568 kJ/mol # Calculated enthalpy of reaction NpO2F+
-# Enthalpy of formation: -285.598 kcal/mol
- -analytic 9.6320e+002 2.4799e-001 -2.7614e+004 -3.7985e+002 -4.7128e+002
-# -Range: 25-150
-
-2.0000 F- + 1.0000 NpO2++ = NpO2F2
- -llnl_gamma 3.0
- log_k +7.8000
- -delta_H 2.60319 kJ/mol # Calculated enthalpy of reaction NpO2F2
-# Enthalpy of formation: -365.337 kcal/mol
- -analytic 1.9648e+002 6.4083e-002 -4.5601e+003 -7.7790e+001 -7.7840e+001
-# -Range: 25-150
-
-1.0000 NpO2+ + 1.0000 HPO4-- + 1.0000 H+ = NpO2H2PO4
- -llnl_gamma 3.0
- log_k +0.6000
- -delta_H 18.717 kJ/mol # Calculated enthalpy of reaction NpO2H2PO4
-# Enthalpy of formation: -538.087 kcal/mol
- -analytic 1.0890e+003 2.7738e-001 -3.0654e+004 -4.3171e+002 -5.2317e+002
-# -Range: 25-150
-
-1.0000 NpO2++ + 1.0000 HPO4-- + 1.0000 H+ = NpO2H2PO4+
- -llnl_gamma 4.0
- log_k +2.3000
- -delta_H 9.31014 kJ/mol # Calculated enthalpy of reaction NpO2H2PO4+
-# Enthalpy of formation: -512.249 kcal/mol
- -analytic -5.6996e+003 -1.4008e+000 1.6898e+005 2.2441e+003 2.8838e+003
-# -Range: 25-150
-
-1.0000 NpO2++ + 1.0000 HPO4-- = NpO2HPO4
- -llnl_gamma 3.0
- log_k +8.2000
- -delta_H -6.47609 kJ/mol # Calculated enthalpy of reaction NpO2HPO4
-# Enthalpy of formation: -516.022 kcal/mol
- -analytic 4.8515e+003 1.2189e+000 -1.4069e+005 -1.9135e+003 -2.4011e+003
-# -Range: 25-150
-
-1.0000 NpO2+ + 1.0000 HPO4-- = NpO2HPO4-
- -llnl_gamma 4.0
- log_k +3.5000
- -delta_H 49.8668 kJ/mol # Calculated enthalpy of reaction NpO2HPO4-
-# Enthalpy of formation: -530.642 kcal/mol
- -analytic -4.1705e+003 -9.9302e-001 1.2287e+005 1.6399e+003 2.0969e+003
-# -Range: 25-150
-
-1.0000 NpO2+ + 1.0000 H2O = NpO2OH +1.0000 H+
- -llnl_gamma 3.0
- log_k -8.9
- -delta_H 43.6285 kJ/mol # Calculated enthalpy of reaction NpO2OH
-# Enthalpy of formation: -291.635 kcal/mol
- -analytic -4.5710e+002 -1.2286e-001 1.0640e+004 1.8151e+002 1.8163e+002
-# -Range: 25-150
-
-1.0000 NpO2++ + 1.0000 H2O = NpO2OH+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -5.2
- -delta_H 43.3805 kJ/mol # Calculated enthalpy of reaction NpO2OH+
-# Enthalpy of formation: -263.608 kcal/mol
- -analytic 1.7485e+002 4.0017e-002 -7.5154e+003 -6.7399e+001 -1.2823e+002
-# -Range: 25-150
-
-1.0000 SO4-- + 1.0000 NpO2++ = NpO2SO4
- -llnl_gamma 3.0
- log_k +3.3000
- -delta_H 19.8789 kJ/mol # Calculated enthalpy of reaction NpO2SO4
-# Enthalpy of formation: -418.308 kcal/mol
- -analytic -1.5624e+002 7.3296e-003 6.7555e+003 5.4435e+001 1.1527e+002
-# -Range: 25-150
-
-1.0000 SO4-- + 1.0000 NpO2+ = NpO2SO4-
- -llnl_gamma 4.0
- log_k +0.4000
- -delta_H 19.1395 kJ/mol # Calculated enthalpy of reaction NpO2SO4-
-# Enthalpy of formation: -446.571 kcal/mol
- -analytic -3.1804e+002 -9.3472e-002 7.6002e+003 1.2965e+002 1.2973e+002
-# -Range: 25-150
-
-1.0000 Np+++ + 1.0000 H2O = NpOH++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -7
- -delta_H 50.1031 kJ/mol # Calculated enthalpy of reaction NpOH+2
-# Enthalpy of formation: -182.322 kcal/mol
- -analytic 1.4062e+002 3.2671e-002 -6.7555e+003 -5.4435e+001 -1.1526e+002
-# -Range: 25-150
-
-1.0000 Np++++ + 1.0000 H2O = NpOH+++ +1.0000 H+
- -llnl_gamma 5.0
- log_k -1
- -delta_H 51.0089 kJ/mol # Calculated enthalpy of reaction NpOH+3
-# Enthalpy of formation: -189.013 kcal/mol
- -analytic -1.8373e+002 -5.2443e-002 2.7025e+003 7.6503e+001 4.6154e+001
-# -Range: 25-150
-
-1.0000 SO4-- + 1.0000 Np++++ = NpSO4++
- -llnl_gamma 4.5
- log_k +5.5000
- -delta_H 20.7377 kJ/mol # Calculated enthalpy of reaction NpSO4+2
-# Enthalpy of formation: -345.331 kcal/mol
- -analytic 3.9477e+002 1.1981e-001 -1.0978e+004 -1.5687e+002 -1.8736e+002
-# -Range: 25-150
-
-1.0000 H2O = OH- +1.0000 H+
- -llnl_gamma 3.5
- log_k -13.9951
- -delta_H 55.8146 kJ/mol # Calculated enthalpy of reaction OH-
-# Enthalpy of formation: -54.977 kcal/mol
- -analytic -6.7506e+001 -3.0619e-002 -1.9901e+003 2.8004e+001 -3.1033e+001
-# -Range: 0-300
-
-2.0000 HPO4-- = P2O7---- +1.0000 H2O
- -llnl_gamma 4.0
- log_k -3.7463
- -delta_H 27.2256 kJ/mol # Calculated enthalpy of reaction P2O7-4
-# Enthalpy of formation: -2271.1 kJ/mol
- -analytic 4.0885e+002 1.3243e-001 -1.1373e+004 -1.6727e+002 -1.7758e+002
-# -Range: 0-300
-
-3.0000 H+ + 1.0000 HPO4-- = PH4+ +2.0000 O2
- -llnl_gamma 4.0
- log_k -212.7409
- -delta_H 0 # Not possible to calculate enthalpy of reaction PH4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 F- = PO3F-- +1.0000 H2O
- -llnl_gamma 4.0
- log_k +7.1993
- -delta_H 0 # Not possible to calculate enthalpy of reaction PO3F-2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 HPO4-- = PO4--- +1.0000 H+
- -llnl_gamma 4.0
- log_k -12.3218
- -delta_H 14.7068 kJ/mol # Calculated enthalpy of reaction PO4-3
-# Enthalpy of formation: -305.3 kcal/mol
- -analytic -7.6170e+001 -3.3574e-002 1.3405e+002 2.9658e+001 2.1140e+000
-# -Range: 0-300
-
-2.0000 BrO3- + 1.0000 Pb++ = Pb(BrO3)2
- -llnl_gamma 3.0
- log_k +5.1939
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(BrO3)2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HAcetate + 1.0000 Pb++ = Pb(Acetate)2 +2.0000 H+
- -llnl_gamma 3.0
- log_k -6.1133
- -delta_H 10.5437 kJ/mol # Calculated enthalpy of reaction Pb(Acetate)2
-# Enthalpy of formation: -229.46 kcal/mol
- -analytic -1.7315e+001 -1.0618e-003 -3.6365e+003 6.9263e+000 5.8659e+005
-# -Range: 0-300
-
-3.0000 HAcetate + 1.0000 Pb++ = Pb(Acetate)3- +3.0000 H+
- -llnl_gamma 4.0
- log_k -8.972
- -delta_H -2.84512 kJ/mol # Calculated enthalpy of reaction Pb(Acetate)3-
-# Enthalpy of formation: -348.76 kcal/mol
- -analytic 1.2417e+001 -3.1481e-003 -9.4152e+003 -1.6846e+000 1.3623e+006
-# -Range: 0-300
-
-2.0000 HCO3- + 1.0000 Pb++ = Pb(CO3)2-- +2.0000 H+
- -llnl_gamma 4.0
- log_k -11.2576
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(CO3)2-2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 ClO3- + 1.0000 Pb++ = Pb(ClO3)2
- -llnl_gamma 3.0
- log_k -0.5133
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(ClO3)2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H2O + 1.0000 Pb++ = Pb(OH)2 +2.0000 H+
- -llnl_gamma 3.0
- log_k -17.0902
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(OH)2
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 H2O + 1.0000 Pb++ = Pb(OH)3- +3.0000 H+
- -llnl_gamma 4.0
- log_k -28.0852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(OH)3-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 Thiocyanate- + 1.0000 Pb++ = Pb(Thiocyanate)2
- -llnl_gamma 3.0
- log_k +1.2455
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(Thiocyanate)2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 Pb++ + 1.0000 H2O = Pb2OH+++ +1.0000 H+
- -llnl_gamma 5.0
- log_k -6.3951
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pb2OH+3
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 H2O + 3.0000 Pb++ = Pb3(OH)4++ +4.0000 H+
- -llnl_gamma 4.5
- log_k -23.8803
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pb3(OH)4+2
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 Pb++ + 4.0000 H2O = Pb4(OH)4++++ +4.0000 H+
- -llnl_gamma 5.5
- log_k -20.8803
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pb4(OH)4+4
-# Enthalpy of formation: -0 kcal/mol
-
-8.0000 H2O + 6.0000 Pb++ = Pb6(OH)8++++ +8.0000 H+
- -llnl_gamma 5.5
- log_k -43.5606
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pb6(OH)8+4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Pb++ + 1.0000 Br- = PbBr+
- -llnl_gamma 4.0
- log_k +1.1831
- -delta_H 0 # Not possible to calculate enthalpy of reaction PbBr+
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 Br- + 1.0000 Pb++ = PbBr2
- -llnl_gamma 3.0
- log_k +1.5062
- -delta_H 0 # Not possible to calculate enthalpy of reaction PbBr2
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 Br- + 1.0000 Pb++ = PbBr3-
- -llnl_gamma 4.0
- log_k +1.2336
- -delta_H 0 # Not possible to calculate enthalpy of reaction PbBr3-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Pb++ + 1.0000 BrO3- = PbBrO3+
- -llnl_gamma 4.0
- log_k +1.9373
- -delta_H 0 # Not possible to calculate enthalpy of reaction PbBrO3+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Pb++ + 1.0000 HAcetate = PbAcetate+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -2.3603
- -delta_H -2.33147e-15 kJ/mol # Calculated enthalpy of reaction PbAcetate+
-# Enthalpy of formation: -115.88 kcal/mol
- -analytic -2.6822e+001 1.0992e-003 7.3688e+002 8.4407e+000 7.0266e+004
-# -Range: 0-300
-
-1.0000 Pb++ + 1.0000 HCO3- = PbCO3 +1.0000 H+
- -llnl_gamma 3.0
- log_k -3.7488
- -delta_H 0 # Not possible to calculate enthalpy of reaction PbCO3
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Pb++ + 1.0000 Cl- = PbCl+
- -llnl_gamma 4.0
- log_k +1.4374
- -delta_H 4.53127 kJ/mol # Calculated enthalpy of reaction PbCl+
-# Enthalpy of formation: -38.63 kcal/mol
- -analytic 1.1948e+002 4.3527e-002 -2.7666e+003 -4.9190e+001 -4.3206e+001
-# -Range: 0-300
-
-2.0000 Cl- + 1.0000 Pb++ = PbCl2
- -llnl_gamma 3.0
- log_k +2.0026
- -delta_H 8.14206 kJ/mol # Calculated enthalpy of reaction PbCl2
-# Enthalpy of formation: -77.7 kcal/mol
- -analytic 2.2537e+002 7.7574e-002 -5.5112e+003 -9.2131e+001 -8.6064e+001
-# -Range: 0-300
-
-3.0000 Cl- + 1.0000 Pb++ = PbCl3-
- -llnl_gamma 4.0
- log_k +1.6881
- -delta_H 7.86174 kJ/mol # Calculated enthalpy of reaction PbCl3-
-# Enthalpy of formation: -117.7 kcal/mol
- -analytic 2.5254e+002 8.9159e-002 -6.0116e+003 -1.0395e+002 -9.3880e+001
-# -Range: 0-300
-
-4.0000 Cl- + 1.0000 Pb++ = PbCl4--
- -llnl_gamma 4.0
- log_k +1.4909
- -delta_H -7.18811 kJ/mol # Calculated enthalpy of reaction PbCl4-2
-# Enthalpy of formation: -161.23 kcal/mol
- -analytic 1.4048e+002 7.6332e-002 -1.1507e+003 -6.3786e+001 -1.7997e+001
-# -Range: 0-300
-
-1.0000 Pb++ + 1.0000 ClO3- = PbClO3+
- -llnl_gamma 4.0
- log_k -0.2208
- -delta_H 0 # Not possible to calculate enthalpy of reaction PbClO3+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Pb++ + 1.0000 F- = PbF+
- -llnl_gamma 4.0
- log_k +0.8284
- -delta_H 0 # Not possible to calculate enthalpy of reaction PbF+
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 F- + 1.0000 Pb++ = PbF2
- -llnl_gamma 3.0
- log_k +1.6132
- -delta_H 0 # Not possible to calculate enthalpy of reaction PbF2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Pb++ + 1.0000 HPO4-- + 1.0000 H+ = PbH2PO4+
- -llnl_gamma 4.0
- log_k +1.5000
- -delta_H 0 # Not possible to calculate enthalpy of reaction PbH2PO4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Pb++ + 1.0000 HPO4-- = PbHPO4
- -llnl_gamma 3.0
- log_k +3.1000
- -delta_H 0 # Not possible to calculate enthalpy of reaction PbHPO4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Pb++ + 1.0000 I- = PbI+
- -llnl_gamma 4.0
- log_k +1.9597
- -delta_H 0 # Not possible to calculate enthalpy of reaction PbI+
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 I- + 1.0000 Pb++ = PbI2
- -llnl_gamma 3.0
- log_k +2.7615
- -delta_H 0 # Not possible to calculate enthalpy of reaction PbI2
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 I- + 1.0000 Pb++ = PbI3-
- -llnl_gamma 4.0
- log_k +3.3355
- -delta_H 0 # Not possible to calculate enthalpy of reaction PbI3-
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 I- + 1.0000 Pb++ = PbI4--
- -llnl_gamma 4.0
- log_k +4.0672
- -delta_H 0 # Not possible to calculate enthalpy of reaction PbI4-2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Pb++ + 1.0000 NO3- = PbNO3+
- -llnl_gamma 4.0
- log_k +1.2271
- -delta_H 0 # Not possible to calculate enthalpy of reaction PbNO3+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Pb++ + 1.0000 H2O = PbOH+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -7.6951
- -delta_H 0 # Not possible to calculate enthalpy of reaction PbOH+
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Pb++ = PbP2O7-- +1.0000 H2O
- -llnl_gamma 4.0
- log_k +7.4136
- -delta_H 0 # Not possible to calculate enthalpy of reaction PbP2O7-2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Thiocyanate- + 1.0000 Pb++ = PbThiocyanate+
- -llnl_gamma 4.0
- log_k +0.9827
- -delta_H 0 # Not possible to calculate enthalpy of reaction PbThiocyanate+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Pd++ + 1.0000 Cl- = PdCl+
- -llnl_gamma 4.0
- log_k +6.0993
- -delta_H -31.995 kJ/mol # Calculated enthalpy of reaction PdCl+
-# Enthalpy of formation: -5.5 kcal/mol
- -analytic 7.2852e+001 3.6886e-002 7.3102e+002 -3.2402e+001 1.1385e+001
-# -Range: 0-300
-
-2.0000 Cl- + 1.0000 Pd++ = PdCl2
- -llnl_gamma 3.0
- log_k +10.7327
- -delta_H -66.1658 kJ/mol # Calculated enthalpy of reaction PdCl2
-# Enthalpy of formation: -53.6 kcal/mol
- -analytic 1.6849e+002 7.9321e-002 8.2874e+002 -7.4416e+001 1.2882e+001
-# -Range: 0-300
-
-3.0000 Cl- + 1.0000 Pd++ = PdCl3-
- -llnl_gamma 4.0
- log_k +13.0937
- -delta_H -101.592 kJ/mol # Calculated enthalpy of reaction PdCl3-
-# Enthalpy of formation: -102 kcal/mol
- -analytic 4.5978e+001 6.2999e-002 6.9333e+003 -3.0257e+001 1.0817e+002
-# -Range: 0-300
-
-4.0000 Cl- + 1.0000 Pd++ = PdCl4--
- -llnl_gamma 4.0
- log_k +15.1615
- -delta_H -152.08 kJ/mol # Calculated enthalpy of reaction PdCl4-2
-# Enthalpy of formation: -154 kcal/mol
- -analytic -3.2209e+001 5.3432e-002 1.2180e+004 -3.7814e+000 1.9006e+002
-# -Range: 0-300
-
-1.0000 Pd++ + 1.0000 H2O = PdO +2.0000 H+
- -llnl_gamma 3.0
- log_k -2.19
- -delta_H 6.43081 kJ/mol # Calculated enthalpy of reaction PdO
-# Enthalpy of formation: -24.7 kcal/mol
- -analytic 1.3587e+002 2.9292e-002 -4.6645e+003 -5.2997e+001 -7.2825e+001
-# -Range: 0-300
-
-1.0000 Pd++ + 1.0000 H2O = PdOH+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -1.0905
- -delta_H -3.19239 kJ/mol # Calculated enthalpy of reaction PdOH+
-# Enthalpy of formation: -27 kcal/mol
- -analytic 1.4291e+001 5.8382e-003 -1.9881e+002 -6.6475e+000 -3.1065e+000
-# -Range: 0-300
-
-2.0000 HCO3- + 1.0000 Pm+++ = Pm(CO3)2- +2.0000 H+
- -llnl_gamma 4.0
- log_k -7.9576
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(CO3)2-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Pm+++ = Pm(HPO4)2-
- -llnl_gamma 4.0
- log_k +9.2000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(HPO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H2O + 1.0000 Pm+++ = Pm(OH)2+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -16.7902
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)2+
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 H2O + 1.0000 Pm+++ = Pm(OH)3 +3.0000 H+
- -llnl_gamma 3.0
- log_k -26.1852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)3
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Pm+++ = Pm(PO4)2--- +2.0000 H+
- -llnl_gamma 4.0
- log_k -4.6837
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(PO4)2-3
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 SO4-- + 1.0000 Pm+++ = Pm(SO4)2-
- -llnl_gamma 4.0
- log_k +5.2000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(SO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Pm+++ + 1.0000 HCO3- = PmCO3+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -2.6288
- -delta_H 0 # Not possible to calculate enthalpy of reaction PmCO3+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Pm+++ + 1.0000 Cl- = PmCl++
- -llnl_gamma 4.5
- log_k +0.3400
- -delta_H 0 # Not possible to calculate enthalpy of reaction PmCl+2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Pm+++ + 1.0000 F- = PmF++
- -llnl_gamma 4.5
- log_k +3.8000
- -delta_H 0 # Not possible to calculate enthalpy of reaction PmF+2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Pm+++ + 1.0000 HPO4-- + 1.0000 H+ = PmH2PO4++
- -llnl_gamma 4.5
- log_k +9.6054
- -delta_H 0 # Not possible to calculate enthalpy of reaction PmH2PO4+2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Pm+++ + 1.0000 HCO3- = PmHCO3++
- -llnl_gamma 4.5
- log_k +2.1000
- -delta_H 0 # Not possible to calculate enthalpy of reaction PmHCO3+2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Pm+++ + 1.0000 HPO4-- = PmHPO4+
- -llnl_gamma 4.0
- log_k +5.5000
- -delta_H 0 # Not possible to calculate enthalpy of reaction PmHPO4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Pm+++ + 1.0000 NO3- = PmNO3++
- -llnl_gamma 4.5
- log_k +1.1000
- -delta_H 0 # Not possible to calculate enthalpy of reaction PmNO3+2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Pm+++ + 1.0000 H2O = PmOH++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -7.9951
- -delta_H 0 # Not possible to calculate enthalpy of reaction PmOH+2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Pm+++ + 1.0000 HPO4-- = PmPO4 +1.0000 H+
- -llnl_gamma 3.0
- log_k -0.3718
- -delta_H 0 # Not possible to calculate enthalpy of reaction PmPO4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 SO4-- + 1.0000 Pm+++ = PmSO4+
- -llnl_gamma 4.0
- log_k +3.5000
- -delta_H 0 # Not possible to calculate enthalpy of reaction PmSO4+
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HAcetate + 1.0000 Pr+++ = Pr(Acetate)2+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -4.8525
- -delta_H -23.8906 kJ/mol # Calculated enthalpy of reaction Pr(Acetate)2+
-# Enthalpy of formation: -406.71 kcal/mol
- -analytic -1.6464e+001 6.2989e-004 -4.4771e+002 3.6947e+000 3.3816e+005
-# -Range: 0-300
-
-3.0000 HAcetate + 1.0000 Pr+++ = Pr(Acetate)3 +3.0000 H+
- -llnl_gamma 3.0
- log_k -8.2023
- -delta_H -40.3756 kJ/mol # Calculated enthalpy of reaction Pr(Acetate)3
-# Enthalpy of formation: -526.75 kcal/mol
- -analytic -1.2007e+001 4.9332e-004 0.0000e+000 0.0000e+000 3.2789e+005
-# -Range: 0-300
-
-2.0000 HCO3- + 1.0000 Pr+++ = Pr(CO3)2- +2.0000 H+
- -llnl_gamma 4.0
- log_k -8.1076
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(CO3)2-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Pr+++ = Pr(HPO4)2-
- -llnl_gamma 4.0
- log_k +8.9000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(HPO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Pr+++ = Pr(PO4)2--- +2.0000 H+
- -llnl_gamma 4.0
- log_k -5.5637
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(PO4)2-3
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 SO4-- + 1.0000 Pr+++ = Pr(SO4)2-
- -llnl_gamma 4.0
- log_k +4.9000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(SO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Pr+++ + 1.0000 HAcetate = PrAcetate++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -2.0451
- -delta_H -12.4683 kJ/mol # Calculated enthalpy of reaction PrAcetate+2
-# Enthalpy of formation: -287.88 kcal/mol
- -analytic -8.5624e+000 9.3878e-004 -5.7551e+002 2.2087e+000 2.4126e+005
-# -Range: 0-300
-
-1.0000 Pr+++ + 1.0000 HCO3- = PrCO3+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -2.7722
- -delta_H 92.458 kJ/mol # Calculated enthalpy of reaction PrCO3+
-# Enthalpy of formation: -311.6 kcal/mol
- -analytic 2.2079e+002 5.2156e-002 -6.5821e+003 -8.7701e+001 -1.0277e+002
-# -Range: 0-300
-
-1.0000 Pr+++ + 1.0000 Cl- = PrCl++
- -llnl_gamma 4.5
- log_k +0.3086
- -delta_H 14.3637 kJ/mol # Calculated enthalpy of reaction PrCl+2
-# Enthalpy of formation: -205.3 kcal/mol
- -analytic 7.5152e+001 3.7446e-002 -1.6661e+003 -3.2490e+001 -2.6020e+001
-# -Range: 0-300
-
-2.0000 Cl- + 1.0000 Pr+++ = PrCl2+
- -llnl_gamma 4.0
- log_k +0.0308
- -delta_H 20.3593 kJ/mol # Calculated enthalpy of reaction PrCl2+
-# Enthalpy of formation: -243.8 kcal/mol
- -analytic 2.2848e+002 8.1250e-002 -6.0401e+003 -9.3909e+001 -9.4318e+001
-# -Range: 0-300
-
-3.0000 Cl- + 1.0000 Pr+++ = PrCl3
- -llnl_gamma 3.0
- log_k -0.3203
- -delta_H 14.2214 kJ/mol # Calculated enthalpy of reaction PrCl3
-# Enthalpy of formation: -285.2 kcal/mol
- -analytic 4.5016e+002 1.3095e-001 -1.2588e+004 -1.8075e+002 -1.9656e+002
-# -Range: 0-300
-
-4.0000 Cl- + 1.0000 Pr+++ = PrCl4-
- -llnl_gamma 4.0
- log_k -0.7447
- -delta_H -4.05011 kJ/mol # Calculated enthalpy of reaction PrCl4-
-# Enthalpy of formation: -329.5 kcal/mol
- -analytic 5.4245e+002 1.3647e-001 -1.5564e+004 -2.1485e+002 -2.4302e+002
-# -Range: 0-300
-
-1.0000 Pr+++ + 1.0000 F- = PrF++
- -llnl_gamma 4.5
- log_k +4.2221
- -delta_H 23.2212 kJ/mol # Calculated enthalpy of reaction PrF+2
-# Enthalpy of formation: -243.4 kcal/mol
- -analytic 9.5146e+001 4.1115e-002 -2.5463e+003 -3.8236e+001 -3.9760e+001
-# -Range: 0-300
-
-2.0000 F- + 1.0000 Pr+++ = PrF2+
- -llnl_gamma 4.0
- log_k +7.3447
- -delta_H 14.644 kJ/mol # Calculated enthalpy of reaction PrF2+
-# Enthalpy of formation: -325.6 kcal/mol
- -analytic 2.4997e+002 8.5251e-002 -6.1908e+003 -9.9912e+001 -9.6675e+001
-# -Range: 0-300
-
-3.0000 F- + 1.0000 Pr+++ = PrF3
- -llnl_gamma 3.0
- log_k +9.6610
- -delta_H -6.4852 kJ/mol # Calculated enthalpy of reaction PrF3
-# Enthalpy of formation: -410.8 kcal/mol
- -analytic 4.7885e+002 1.3764e-001 -1.2080e+004 -1.8980e+002 -1.8864e+002
-# -Range: 0-300
-
-4.0000 F- + 1.0000 Pr+++ = PrF4-
- -llnl_gamma 4.0
- log_k +11.5375
- -delta_H -47.2792 kJ/mol # Calculated enthalpy of reaction PrF4-
-# Enthalpy of formation: -500.7 kcal/mol
- -analytic 5.5774e+002 1.4067e-001 -1.3523e+004 -2.1933e+002 -2.1118e+002
-# -Range: 0-300
-
-1.0000 Pr+++ + 1.0000 HPO4-- + 1.0000 H+ = PrH2PO4++
- -llnl_gamma 4.5
- log_k +9.5950
- -delta_H -16.2548 kJ/mol # Calculated enthalpy of reaction PrH2PO4+2
-# Enthalpy of formation: -481.5 kcal/mol
- -analytic 1.0501e+002 6.3059e-002 3.8161e+002 -4.6656e+001 5.9234e+000
-# -Range: 0-300
-
-1.0000 Pr+++ + 1.0000 HCO3- = PrHCO3++
- -llnl_gamma 4.5
- log_k +1.9190
- -delta_H -12.9788 kJ/mol # Calculated enthalpy of reaction PrHCO3+2
-# Enthalpy of formation: -336.8 kcal/mol
- -analytic 2.2010e+001 2.8541e-002 1.4574e+003 -1.3522e+001 2.2734e+001
-# -Range: 0-300
-
-1.0000 Pr+++ + 1.0000 HPO4-- = PrHPO4+
- -llnl_gamma 4.0
- log_k +5.4000
- -delta_H 0 # Not possible to calculate enthalpy of reaction PrHPO4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Pr+++ + 1.0000 NO3- = PrNO3++
- -llnl_gamma 4.5
- log_k +0.6546
- -delta_H -27.9115 kJ/mol # Calculated enthalpy of reaction PrNO3+2
-# Enthalpy of formation: -224.9 kcal/mol
- -analytic 1.4297e+001 2.5214e-002 2.1756e+003 -1.1490e+001 3.3943e+001
-# -Range: 0-300
-
-1.0000 Pr+++ + 1.0000 H2O = PrO+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -17.29
- -delta_H 117.642 kJ/mol # Calculated enthalpy of reaction PrO+
-# Enthalpy of formation: -209 kcal/mol
- -analytic 1.7927e+002 2.9467e-002 -1.3815e+004 -6.4259e+001 -2.1562e+002
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Pr+++ = PrO2- +4.0000 H+
- -llnl_gamma 4.0
- log_k -37.5852
- -delta_H 301.39 kJ/mol # Calculated enthalpy of reaction PrO2-
-# Enthalpy of formation: -233.4 kcal/mol
- -analytic -4.4480e+001 -1.6327e-002 -7.9031e+003 1.9348e+001 -8.5440e+005
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Pr+++ = PrO2H +3.0000 H+
- -llnl_gamma 3.0
- log_k -26.5901
- -delta_H 231.517 kJ/mol # Calculated enthalpy of reaction PrO2H
-# Enthalpy of formation: -250.1 kcal/mol
- -analytic 3.3930e+002 4.4894e-002 -2.3769e+004 -1.2106e+002 -3.7099e+002
-# -Range: 0-300
-
-1.0000 Pr+++ + 1.0000 H2O = PrOH++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -8.274
- -delta_H 81.2407 kJ/mol # Calculated enthalpy of reaction PrOH+2
-# Enthalpy of formation: -217.7 kcal/mol
- -analytic 5.6599e+001 1.1073e-002 -5.9197e+003 -1.9525e+001 -9.2388e+001
-# -Range: 0-300
-
-1.0000 Pr+++ + 1.0000 HPO4-- = PrPO4 +1.0000 H+
- -llnl_gamma 3.0
- log_k -0.7218
- -delta_H 0 # Not possible to calculate enthalpy of reaction PrPO4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 SO4-- + 1.0000 Pr+++ = PrSO4+
- -llnl_gamma 4.0
- log_k -3.687
- -delta_H 19.6648 kJ/mol # Calculated enthalpy of reaction PrSO4+
-# Enthalpy of formation: -381.5 kcal/mol
- -analytic 2.9156e+002 8.4671e-002 -1.0638e+004 -1.1509e+002 -1.6608e+002
-# -Range: 0-300
-
-2.0000 HPO4-- + 1.0000 Pu++++ = Pu(HPO4)2
- -llnl_gamma 3.0
- log_k +23.8483
- -delta_H 25.9279 kJ/mol # Calculated enthalpy of reaction Pu(HPO4)2
-# Enthalpy of formation: -3094.13 kJ/mol
- -analytic 9.2387e+002 3.2577e-001 -2.0881e+004 -3.7466e+002 -3.5492e+002
-# -Range: 0-200
-
-3.0000 HPO4-- + 1.0000 Pu++++ = Pu(HPO4)3--
- -llnl_gamma 4.0
- log_k +33.4599
- -delta_H -6.49412 kJ/mol # Calculated enthalpy of reaction Pu(HPO4)3-2
-# Enthalpy of formation: -4418.63 kJ/mol
- -analytic 6.4515e+002 2.3011e-001 -1.2752e+004 -2.5761e+002 -1.9917e+002
-# -Range: 0-300
-
-4.0000 HPO4-- + 1.0000 Pu++++ = Pu(HPO4)4----
- -llnl_gamma 4.0
- log_k +43.2467
- -delta_H -77.4832 kJ/mol # Calculated enthalpy of reaction Pu(HPO4)4-4
-# Enthalpy of formation: -5781.7 kJ/mol
- -analytic 8.5301e+002 3.0730e-001 -1.3644e+004 -3.4573e+002 -2.1316e+002
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Pu++++ = Pu(OH)2++ +2.0000 H+
- -llnl_gamma 4.5
- log_k -2.3235
- -delta_H 74.3477 kJ/mol # Calculated enthalpy of reaction Pu(OH)2+2
-# Enthalpy of formation: -1033.22 kJ/mol
- -analytic 7.5979e+001 6.8394e-003 -6.3710e+003 -2.3833e+001 -9.9435e+001
-# -Range: 0-300
-
-3.0000 H2O + 1.0000 Pu++++ = Pu(OH)3+ +3.0000 H+
- -llnl_gamma 4.0
- log_k -5.281
- -delta_H 96.578 kJ/mol # Calculated enthalpy of reaction Pu(OH)3+
-# Enthalpy of formation: -1296.83 kJ/mol
- -analytic 1.0874e+002 1.4199e-002 -8.4954e+003 -3.6278e+001 -1.3259e+002
-# -Range: 0-300
-
-4.0000 H2O + 1.0000 Pu++++ = Pu(OH)4 +4.0000 H+
- -llnl_gamma 3.0
- log_k -9.5174
- -delta_H 109.113 kJ/mol # Calculated enthalpy of reaction Pu(OH)4
-# Enthalpy of formation: -1570.13 kJ/mol
- -analytic 2.7913e+002 1.0252e-001 -1.1289e+004 -1.1369e+002 -1.9181e+002
-# -Range: 0-200
-
-2.0000 SO4-- + 1.0000 Pu++++ = Pu(SO4)2
- -llnl_gamma 3.0
- log_k +10.2456
- -delta_H 41.0122 kJ/mol # Calculated enthalpy of reaction Pu(SO4)2
-# Enthalpy of formation: -2314.08 kJ/mol
- -analytic 5.3705e+002 1.9308e-001 -1.3213e+004 -2.1824e+002 -2.2457e+002
-# -Range: 0-200
-
-2.0000 SO4-- + 1.0000 Pu+++ = Pu(SO4)2-
- -llnl_gamma 4.0
- log_k +6.3200
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pu(SO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Pu++++ + 1.0000 F- = PuF+++
- -llnl_gamma 5.0
- log_k +8.4600
- -delta_H 0 # Not possible to calculate enthalpy of reaction PuF+3
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 F- + 1.0000 Pu++++ = PuF2++
- -llnl_gamma 4.5
- log_k +15.4000
- -delta_H 0 # Not possible to calculate enthalpy of reaction PuF2+2
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 F- + 1.0000 Pu++++ = PuF3+
- -llnl_gamma 4.0
- log_k +5.3000
- -delta_H 0 # Not possible to calculate enthalpy of reaction PuF3+
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 F- + 1.0000 Pu++++ = PuF4
- -llnl_gamma 3.0
- log_k +4.2000
- -delta_H 0 # Not possible to calculate enthalpy of reaction PuF4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Pu+++ + 1.0000 HPO4-- + 1.0000 H+ = PuH2PO4++
- -llnl_gamma 4.5
- log_k +9.6817
- -delta_H 28.597 kJ/mol # Calculated enthalpy of reaction PuH2PO4+2
-# Enthalpy of formation: -1855.04 kJ/mol
- -analytic 2.1595e+002 6.4502e-002 -6.4723e+003 -8.2341e+001 -1.0106e+002
-# -Range: 0-300
-
-1.0000 Pu++++ + 1.0000 HPO4-- = PuHPO4++
- -llnl_gamma 4.5
- log_k +13.0103
- -delta_H 40.306 kJ/mol # Calculated enthalpy of reaction PuHPO4+2
-# Enthalpy of formation: -1787.67 kJ/mol
- -analytic 2.2662e+002 7.1073e-002 -6.9134e+003 -8.5504e+001 -1.0794e+002
-# -Range: 0-300
-
-2.0000 HCO3- + 1.0000 PuO2++ = PuO2(CO3)2-- +2.0000 H+
- -llnl_gamma 4.0
- log_k -5.7428
- -delta_H 52.3345 kJ/mol # Calculated enthalpy of reaction PuO2(CO3)2-2
-# Enthalpy of formation: -2149.11 kJ/mol
- -analytic 2.6589e+002 7.6132e-002 -9.7187e+003 -1.0577e+002 -1.5173e+002
-# -Range: 0-300
-
-1.0000 PuO2++ + 1.0000 Cl- = PuO2Cl+
- -llnl_gamma 4.0
- log_k -0.2084
- -delta_H 11.6127 kJ/mol # Calculated enthalpy of reaction PuO2Cl+
-# Enthalpy of formation: -977.045 kJ/mol
- -analytic 9.8385e+001 3.8617e-002 -2.5210e+003 -4.1075e+001 -3.9367e+001
-# -Range: 0-300
-
-1.0000 PuO2++ + 1.0000 F- = PuO2F+
- -llnl_gamma 4.0
- log_k +5.6674
- -delta_H -5.2094 kJ/mol # Calculated enthalpy of reaction PuO2F+
-# Enthalpy of formation: -1162.13 kJ/mol
- -analytic 1.1412e+002 4.1224e-002 -2.0503e+003 -4.6009e+001 -3.2027e+001
-# -Range: 0-300
-
-2.0000 F- + 1.0000 PuO2++ = PuO2F2
- -llnl_gamma 3.0
- log_k +10.9669
- -delta_H -15.4738 kJ/mol # Calculated enthalpy of reaction PuO2F2
-# Enthalpy of formation: -1507.75 kJ/mol
- -analytic 2.5502e+002 9.1597e-002 -4.4557e+003 -1.0362e+002 -7.5752e+001
-# -Range: 0-200
-
-3.0000 F- + 1.0000 PuO2++ = PuO2F3-
- -llnl_gamma 4.0
- log_k +15.9160
- -delta_H -29.4032 kJ/mol # Calculated enthalpy of reaction PuO2F3-
-# Enthalpy of formation: -1857.02 kJ/mol
- -analytic 3.6102e+002 8.6364e-002 -8.7129e+003 -1.3805e+002 -1.3606e+002
-# -Range: 0-300
-
-4.0000 F- + 1.0000 PuO2++ = PuO2F4--
- -llnl_gamma 4.0
- log_k +18.7628
- -delta_H -39.9786 kJ/mol # Calculated enthalpy of reaction PuO2F4-2
-# Enthalpy of formation: -2202.95 kJ/mol
- -analytic 4.6913e+002 1.3649e-001 -9.8336e+003 -1.8510e+002 -1.5358e+002
-# -Range: 0-300
-
-1.0000 PuO2++ + 1.0000 HPO4-- + 1.0000 H+ = PuO2H2PO4+
- -llnl_gamma 4.0
- log_k +11.2059
- -delta_H -6.63904 kJ/mol # Calculated enthalpy of reaction PuO2H2PO4+
-# Enthalpy of formation: -2120.3 kJ/mol
- -analytic 2.1053e+002 6.8671e-002 -4.3390e+003 -8.2930e+001 -6.7768e+001
-# -Range: 0-300
-
-1.0000 PuO2+ + 1.0000 H2O = PuO2OH +1.0000 H+
- -llnl_gamma 3.0
- log_k -9.6674
- -delta_H 69.1763 kJ/mol # Calculated enthalpy of reaction PuO2OH
-# Enthalpy of formation: -1130.85 kJ/mol
- -analytic 7.1080e+001 2.6141e-002 -5.0337e+003 -2.8956e+001 -8.5504e+001
-# -Range: 0-200
-
-1.0000 PuO2++ + 1.0000 H2O = PuO2OH+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -5.6379
- -delta_H 45.2823 kJ/mol # Calculated enthalpy of reaction PuO2OH+
-# Enthalpy of formation: -1062.13 kJ/mol
- -analytic -3.9012e+000 1.1645e-003 -1.1299e+003 1.3419e+000 -1.4364e+005
-# -Range: 0-300
-
-1.0000 SO4-- + 1.0000 PuO2++ = PuO2SO4
- -llnl_gamma 3.0
- log_k +3.2658
- -delta_H 20.0746 kJ/mol # Calculated enthalpy of reaction PuO2SO4
-# Enthalpy of formation: -1711.11 kJ/mol
- -analytic 2.0363e+002 7.3903e-002 -5.1940e+003 -8.2833e+001 -8.8273e+001
-# -Range: 0-200
-
-1.0000 Pu+++ + 1.0000 H2O = PuOH++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -7.968
- -delta_H 53.5143 kJ/mol # Calculated enthalpy of reaction PuOH+2
-# Enthalpy of formation: -823.876 kJ/mol
- -analytic 3.0065e+000 3.0278e-003 -1.9675e+003 -1.6100e+000 -1.1524e+005
-# -Range: 0-300
-
-1.0000 Pu++++ + 1.0000 H2O = PuOH+++ +1.0000 H+
- -llnl_gamma 5.0
- log_k -0.5048
- -delta_H 48.1823 kJ/mol # Calculated enthalpy of reaction PuOH+3
-# Enthalpy of formation: -773.549 kJ/mol
- -analytic 4.1056e+001 1.1119e-003 -3.9252e+003 -1.1609e+001 -6.1260e+001
-# -Range: 0-300
-
-1.0000 SO4-- + 1.0000 Pu+++ = PuSO4+
- -llnl_gamma 4.0
- log_k +3.4935
- -delta_H 14.6006 kJ/mol # Calculated enthalpy of reaction PuSO4+
-# Enthalpy of formation: -1486.55 kJ/mol
- -analytic 1.9194e+002 7.7154e-002 -4.2751e+003 -7.9646e+001 -6.6765e+001
-# -Range: 0-300
-
-1.0000 SO4-- + 1.0000 Pu++++ = PuSO4++
- -llnl_gamma 4.5
- log_k +5.7710
- -delta_H 12.3336 kJ/mol # Calculated enthalpy of reaction PuSO4+2
-# Enthalpy of formation: -1433.16 kJ/mol
- -analytic 1.9418e+002 7.5477e-002 -4.2767e+003 -7.9425e+001 -6.6792e+001
-# -Range: 0-300
-
-2.0000 HAcetate + 1.0000 Ra++ = Ra(Acetate)2 +2.0000 H+
- -llnl_gamma 3.0
- log_k -7.9018
- -delta_H 21.0874 kJ/mol # Calculated enthalpy of reaction Ra(Acetate)2
-# Enthalpy of formation: -353.26 kcal/mol
- -analytic 2.2767e+001 3.1254e-003 -6.4558e+003 -7.2253e+000 7.0689e+005
-# -Range: 0-300
-
-1.0000 Ra++ + 1.0000 HAcetate = RaAcetate+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -3.709
- -delta_H 11.7989 kJ/mol # Calculated enthalpy of reaction RaAcetate+
-# Enthalpy of formation: -239.38 kcal/mol
- -analytic -1.8268e+001 2.9956e-003 1.9313e+001 5.2767e+000 4.9771e+004
-# -Range: 0-300
-
-2.0000 HAcetate + 1.0000 Rb+ = Rb(Acetate)2- +2.0000 H+
- -llnl_gamma 4.0
- log_k -9.7636
- -delta_H -1.12968 kJ/mol # Calculated enthalpy of reaction Rb(Acetate)2-
-# Enthalpy of formation: -292.49 kcal/mol
- -analytic -1.9198e+002 -4.2101e-002 5.5792e+003 7.1152e+001 8.7114e+001
-# -Range: 0-300
-
-1.0000 Rb+ + 1.0000 Br- = RbBr
- -llnl_gamma 3.0
- log_k -1.2168
- -delta_H 13.9327 kJ/mol # Calculated enthalpy of reaction RbBr
-# Enthalpy of formation: -85.73 kcal/mol
- -analytic 1.2054e+002 3.3825e-002 -3.9500e+003 -4.7920e+001 -6.1671e+001
-# -Range: 0-300
-
-1.0000 Rb+ + 1.0000 HAcetate = RbAcetate +1.0000 H+
- -llnl_gamma 3.0
- log_k -4.7279
- -delta_H 4.89528 kJ/mol # Calculated enthalpy of reaction RbAcetate
-# Enthalpy of formation: -174.95 kcal/mol
- -analytic 1.5661e+001 -2.4230e-003 -2.5280e+003 -5.4433e+000 2.0344e+005
-# -Range: 0-300
-
-1.0000 Rb+ + 1.0000 Cl- = RbCl
- -llnl_gamma 3.0
- log_k -0.9595
- -delta_H 13.1922 kJ/mol # Calculated enthalpy of reaction RbCl
-# Enthalpy of formation: -96.8 kcal/mol
- -analytic 1.2689e+002 3.5557e-002 -4.0822e+003 -5.0412e+001 -6.3736e+001
-# -Range: 0-300
-
-1.0000 Rb+ + 1.0000 F- = RbF
- -llnl_gamma 3.0
- log_k +0.9602
- -delta_H 1.92464 kJ/mol # Calculated enthalpy of reaction RbF
-# Enthalpy of formation: -139.71 kcal/mol
- -analytic 1.3893e+002 3.8188e-002 -3.8677e+003 -5.5109e+001 -6.0393e+001
-# -Range: 0-300
-
-1.0000 Rb+ + 1.0000 I- = RbI
- -llnl_gamma 3.0
- log_k -0.8136
- -delta_H 7.1128 kJ/mol # Calculated enthalpy of reaction RbI
-# Enthalpy of formation: -71.92 kcal/mol
- -analytic 1.1486e+002 3.3121e-002 -3.4217e+003 -4.6096e+001 -5.3426e+001
-# -Range: 0-300
-
-2.0000 Cl- + 1.0000 Ru+++ = Ru(Cl)2+
- -llnl_gamma 4.0
- log_k +3.7527
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(Cl)2+
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 Cl- + 1.0000 Ru+++ = Ru(Cl)3
- -llnl_gamma 3.0
- log_k +4.2976
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(Cl)3
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H2O + 1.0000 Ru+++ = Ru(OH)2+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -3.5148
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Ru(OH)2++ + 1.0000 Cl- = Ru(OH)2Cl+
- -llnl_gamma 4.0
- log_k +1.3858
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl+
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 Cl- + 1.0000 Ru(OH)2++ = Ru(OH)2Cl2
- -llnl_gamma 3.0
- log_k +1.8081
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl2
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 Cl- + 1.0000 Ru(OH)2++ = Ru(OH)2Cl3-
- -llnl_gamma 4.0
- log_k +1.6172
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl3-
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 Cl- + 1.0000 Ru(OH)2++ = Ru(OH)2Cl4--
- -llnl_gamma 4.0
- log_k +2.7052
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl4-2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 SO4-- + 1.0000 Ru(OH)2++ = Ru(OH)2SO4
- -llnl_gamma 3.0
- log_k +1.7941
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2SO4
-# Enthalpy of formation: -0 kcal/mol
-
-#3.0000 H2O + 1.0000 Ru++ + 0.5000 O2 = Ru(OH)4 +2.0000 H+
-# Ru(OH)2++ +1.0000 H2O +0.5000 O2 = 4.0000 H+ + 1.0000 RuO4-- log_k -25.2470
-# 4.0000 H+ + 1.0000 RuO4-- = Ru++ +2.0000 H2O +1.0000 O2 log_k +0.1610
-#1 + 2 + 3
-2H2O + Ru(OH)2++ = Ru(OH)4 + 2H+
- -llnl_gamma 3.0
-# log_k +18.0322
- log_k -7.0538
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)4
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 SO4-- + 1.0000 Ru+++ = Ru(SO4)2-
- -llnl_gamma 4.0
- log_k +3.0627
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(SO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 Ru(OH)2++ + 4.0000 H2O = Ru4(OH)12++++ +4.0000 H+
- -llnl_gamma 5.5
- log_k +7.1960
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ru4(OH)12+4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Ru++ + 1.0000 Cl- = RuCl+
- -llnl_gamma 4.0
- log_k -0.4887
- -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Ru+++ + 1.0000 Cl- = RuCl++
- -llnl_gamma 4.5
- log_k +2.1742
- -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl+2
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 Cl- + 1.0000 Ru+++ = RuCl4-
- -llnl_gamma 4.0
- log_k +4.1418
- -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl4-
-# Enthalpy of formation: -0 kcal/mol
-
-5.0000 Cl- + 1.0000 Ru+++ = RuCl5--
- -llnl_gamma 4.0
- log_k +3.8457
- -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl5-2
-# Enthalpy of formation: -0 kcal/mol
-
-6.0000 Cl- + 1.0000 Ru+++ = RuCl6---
- -llnl_gamma 4.0
- log_k +3.4446
- -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl6-3
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Ru+++ + 1.0000 H2O = RuOH++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -2.2392
- -delta_H 0 # Not possible to calculate enthalpy of reaction RuOH+2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 SO4-- + 1.0000 Ru++ = RuSO4
- -llnl_gamma 3.0
- log_k +2.3547
- -delta_H 0 # Not possible to calculate enthalpy of reaction RuSO4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 SO4-- + 1.0000 Ru+++ = RuSO4+
- -llnl_gamma 4.0
- log_k +1.9518
- -delta_H 0 # Not possible to calculate enthalpy of reaction RuSO4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 HS- = S-- +1.0000 H+
- -llnl_gamma 5.0
- log_k -12.9351
- -delta_H 49.0364 kJ/mol # Calculated enthalpy of reaction S-2
-# Enthalpy of formation: 32.928 kJ/mol
- -analytic 9.7756e+001 3.2913e-002 -5.0784e+003 -4.1812e+001 -7.9273e+001
-# -Range: 0-300
-
-2.0000 H+ + 2.0000 SO3-- = S2O5-- + H2O
- -llnl_gamma 4.0
- log_k 9.5934
- -delta_H 0 # Not possible to calculate enthalpy of reaction S2O5-2
-# Enthalpy of formation: -0 kcal/mol
- -analytic 0.12262E+03 0.62883E-01 -0.18005E+04 -0.50798E+02 -0.28132E+02
-# -Range: 0-300
-
-2.0000 H+ + 1.0000 SO3-- = SO2 +1.0000 H2O
- -llnl_gamma 3.0
- log_k +9.0656
- -delta_H 26.7316 kJ/mol # Calculated enthalpy of reaction SO2
-# Enthalpy of formation: -77.194 kcal/mol
- -analytic 9.4048e+001 6.2127e-002 -1.1072e+003 -4.0310e+001 -1.7305e+001
-# -Range: 0-300
-
-1.0000 Sb(OH)3 + 1.0000 H+ = Sb(OH)2+ +1.0000 H2O
- -llnl_gamma 4.0
- log_k +1.4900
- -delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)2+
-# Enthalpy of formation: -0 kcal/mol
-
- -analytic -4.9192e+000 -1.6439e-004 1.4777e+003 6.0724e-001 2.3059e+001
-# -Range: 0-300
-
-1.0000 Sb(OH)3 + 1.0000 H+ + 1.0000 F- = Sb(OH)2F +1.0000 H2O
- -llnl_gamma 3.0
- log_k +7.1700
- -delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)2F
-# Enthalpy of formation: -0 kcal/mol
-
- -analytic -1.6961e+002 5.7364e-002 2.7207e+004 3.7969e+001 -2.2834e+006
-# -Range: 0-300
-
-1.0000 Sb(OH)3 + 1.0000 H2O = Sb(OH)4- +1.0000 H+
- -llnl_gamma 4.0
- log_k -11.92
- -delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)4-
-# Enthalpy of formation: -0 kcal/mol
-
- -analytic 4.9839e+001 -6.7112e-003 -4.8976e+003 -1.7138e+001 -8.3725e+004
-# -Range: 0-300
-
-4.0000 HS- + 2.0000 Sb(OH)3 + 2.0000 H+ = Sb2S4-- +6.0000 H2O
- -llnl_gamma 4.0
- log_k +39.1100
- -delta_H 0 # Not possible to calculate enthalpy of reaction Sb2S4-2
-# Enthalpy of formation: -0 kcal/mol
-
- -analytic 1.7631e+002 8.3686e-002 9.7091e+003 -7.8605e+001 1.5145e+002
-# -Range: 0-300
-
-4.0000 Cl- + 3.0000 H+ + 1.0000 Sb(OH)3 = SbCl4- +3.0000 H2O
- -llnl_gamma 4.0
- log_k +3.0720
- -delta_H 0 # Not possible to calculate enthalpy of reaction SbCl4-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HAcetate + 1.0000 Sc+++ = Sc(Acetate)2+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -3.7237
- -delta_H -43.1789 kJ/mol # Calculated enthalpy of reaction Sc(Acetate)2+
-# Enthalpy of formation: -389.32 kcal/mol
- -analytic -4.1862e+001 -3.9443e-005 2.1444e+002 1.2616e+001 5.5442e+005
-# -Range: 0-300
-
-3.0000 HAcetate + 1.0000 Sc+++ = Sc(Acetate)3 +3.0000 H+
- -llnl_gamma 3.0
- log_k -6.6777
- -delta_H -70.0402 kJ/mol # Calculated enthalpy of reaction Sc(Acetate)3
-# Enthalpy of formation: -511.84 kcal/mol
- -analytic -5.2525e+001 1.6181e-003 7.5022e+002 1.3988e+001 7.3540e+005
-# -Range: 0-300
-
-1.0000 Sc+++ + 1.0000 HAcetate = ScAcetate++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -1.4294
- -delta_H -21.7568 kJ/mol # Calculated enthalpy of reaction ScAcetate+2
-# Enthalpy of formation: -268.1 kcal/mol
- -analytic -2.3400e+001 1.3144e-004 1.1125e+002 7.3527e+000 3.0025e+005
-# -Range: 0-300
-
-6.0000 F- + 4.0000 H+ + 1.0000 SiO2 = SiF6-- +2.0000 H2O
- -llnl_gamma 4.0
- log_k +26.2749
- -delta_H -70.9565 kJ/mol # Calculated enthalpy of reaction SiF6-2
-# Enthalpy of formation: -571 kcal/mol
- -analytic 2.3209e+002 1.0685e-001 5.8428e+002 -9.6798e+001 9.0486e+000
-# -Range: 0-300
-
-2.0000 HAcetate + 1.0000 Sm+++ = Sm(Acetate)2+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -4.7132
- -delta_H -25.5224 kJ/mol # Calculated enthalpy of reaction Sm(Acetate)2+
-# Enthalpy of formation: -403.5 kcal/mol
- -analytic -1.4192e+001 2.1732e-003 -1.0267e+003 2.9516e+000 4.4389e+005
-# -Range: 0-300
-
-3.0000 HAcetate + 1.0000 Sm+++ = Sm(Acetate)3 +3.0000 H+
- -llnl_gamma 3.0
- log_k -7.8798
- -delta_H -43.5554 kJ/mol # Calculated enthalpy of reaction Sm(Acetate)3
-# Enthalpy of formation: -523.91 kcal/mol
- -analytic -2.0765e+001 1.1047e-003 -5.1181e+002 3.4797e+000 5.0618e+005
-# -Range: 0-300
-
-2.0000 HCO3- + 1.0000 Sm+++ = Sm(CO3)2- +2.0000 H+
- -llnl_gamma 4.0
- log_k -7.8576
- -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(CO3)2-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Sm+++ = Sm(HPO4)2-
- -llnl_gamma 4.0
- log_k +9.4000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(HPO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-# Redundant with SmO2-
-#4.0000 H2O + 1.0000 Sm+++ = Sm(OH)4- +4.0000 H+
-# -llnl_gamma 4.0
-# log_k -36.8803
-# -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(OH)4-
-## Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Sm+++ = Sm(PO4)2--- +2.0000 H+
- -llnl_gamma 4.0
- log_k -4.2437
- -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(PO4)2-3
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 SO4-- + 1.0000 Sm+++ = Sm(SO4)2-
- -llnl_gamma 4.0
- log_k +5.2000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(SO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Sm+++ + 1.0000 HAcetate = SmAcetate++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -1.9205
- -delta_H -13.598 kJ/mol # Calculated enthalpy of reaction SmAcetate+2
-# Enthalpy of formation: -284.55 kcal/mol
- -analytic -1.1734e+001 1.0889e-003 -5.1061e+002 3.3317e+000 2.6395e+005
-# -Range: 0-300
-
-1.0000 Sm+++ + 1.0000 HCO3- = SmCO3+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -2.479
- -delta_H 89.1108 kJ/mol # Calculated enthalpy of reaction SmCO3+
-# Enthalpy of formation: -308.8 kcal/mol
- -analytic 2.3486e+002 5.3703e-002 -7.0193e+003 -9.2863e+001 -1.0960e+002
-# -Range: 0-300
-
-1.0000 Sm+++ + 1.0000 Cl- = SmCl++
- -llnl_gamma 4.5
- log_k +0.3086
- -delta_H 14.3637 kJ/mol # Calculated enthalpy of reaction SmCl+2
-# Enthalpy of formation: -201.7 kcal/mol
- -analytic 9.4972e+001 3.9428e-002 -2.4198e+003 -3.9718e+001 -3.7787e+001
-# -Range: 0-300
-
-2.0000 Cl- + 1.0000 Sm+++ = SmCl2+
- -llnl_gamma 4.0
- log_k -0.0425
- -delta_H 19.9409 kJ/mol # Calculated enthalpy of reaction SmCl2+
-# Enthalpy of formation: -240.3 kcal/mol
- -analytic 2.5872e+002 8.4154e-002 -7.2061e+003 -1.0493e+002 -1.1252e+002
-# -Range: 0-300
-
-3.0000 Cl- + 1.0000 Sm+++ = SmCl3
- -llnl_gamma 3.0
- log_k -0.3936
- -delta_H 13.803 kJ/mol # Calculated enthalpy of reaction SmCl3
-# Enthalpy of formation: -281.7 kcal/mol
- -analytic 4.9535e+002 1.3520e-001 -1.4325e+004 -1.9720e+002 -2.2367e+002
-# -Range: 0-300
-
-4.0000 Cl- + 1.0000 Sm+++ = SmCl4-
- -llnl_gamma 4.0
- log_k -0.818
- -delta_H -5.30531 kJ/mol # Calculated enthalpy of reaction SmCl4-
-# Enthalpy of formation: -326.2 kcal/mol
- -analytic 6.0562e+002 1.4212e-001 -1.7982e+004 -2.3782e+002 -2.8077e+002
-# -Range: 0-300
-
-1.0000 Sm+++ + 1.0000 F- = SmF++
- -llnl_gamma 4.5
- log_k +4.3687
- -delta_H 22.8028 kJ/mol # Calculated enthalpy of reaction SmF+2
-# Enthalpy of formation: -239.9 kcal/mol
- -analytic 1.1514e+002 4.3117e-002 -3.2853e+003 -4.5499e+001 -5.1297e+001
-# -Range: 0-300
-
-2.0000 F- + 1.0000 Sm+++ = SmF2+
- -llnl_gamma 4.0
- log_k +7.6379
- -delta_H 13.8072 kJ/mol # Calculated enthalpy of reaction SmF2+
-# Enthalpy of formation: -322.2 kcal/mol
- -analytic 2.8030e+002 8.8143e-002 -7.2857e+003 -1.1092e+002 -1.1377e+002
-# -Range: 0-300
-
-3.0000 F- + 1.0000 Sm+++ = SmF3
- -llnl_gamma 3.0
- log_k +10.0275
- -delta_H -8.5772 kJ/mol # Calculated enthalpy of reaction SmF3
-# Enthalpy of formation: -407.7 kcal/mol
- -analytic 5.2425e+002 1.4191e-001 -1.3728e+004 -2.0628e+002 -2.1436e+002
-# -Range: 0-300
-
-4.0000 F- + 1.0000 Sm+++ = SmF4-
- -llnl_gamma 4.0
- log_k +11.9773
- -delta_H -49.7896 kJ/mol # Calculated enthalpy of reaction SmF4-
-# Enthalpy of formation: -497.7 kcal/mol
- -analytic 6.2228e+002 1.4659e-001 -1.5887e+004 -2.4275e+002 -2.4809e+002
-# -Range: 0-300
-
-1.0000 Sm+++ + 1.0000 HPO4-- + 1.0000 H+ = SmH2PO4++
- -llnl_gamma 4.5
- log_k +9.4484
- -delta_H -15.8364 kJ/mol # Calculated enthalpy of reaction SmH2PO4+2
-# Enthalpy of formation: -477.8 kcal/mol
- -analytic 1.2451e+002 6.4959e-002 -3.9576e+002 -5.3772e+001 -6.2124e+000
-# -Range: 0-300
-
-1.0000 Sm+++ + 1.0000 HCO3- = SmHCO3++
- -llnl_gamma 4.5
- log_k +1.7724
- -delta_H 9.19643 kJ/mol # Calculated enthalpy of reaction SmHCO3+2
-# Enthalpy of formation: -327.9 kcal/mol
- -analytic 5.5520e+001 3.3265e-002 -7.3142e+002 -2.4727e+001 -1.1430e+001
-# -Range: 0-300
-
-1.0000 Sm+++ + 1.0000 HPO4-- = SmHPO4+
- -llnl_gamma 4.0
- log_k +5.6000
- -delta_H 0 # Not possible to calculate enthalpy of reaction SmHPO4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Sm+++ + 1.0000 NO3- = SmNO3++
- -llnl_gamma 4.5
- log_k +0.8012
- -delta_H -29.1667 kJ/mol # Calculated enthalpy of reaction SmNO3+2
-# Enthalpy of formation: -221.6 kcal/mol
- -analytic 3.3782e+001 2.7125e-002 1.5091e+003 -1.8632e+001 2.3537e+001
-# -Range: 0-300
-
-1.0000 Sm+++ + 1.0000 H2O = SmO+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -16.4837
- -delta_H 113.039 kJ/mol # Calculated enthalpy of reaction SmO+
-# Enthalpy of formation: -206.5 kcal/mol
- -analytic 1.8554e+002 3.0198e-002 -1.3791e+004 -6.6588e+001 -2.1526e+002
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Sm+++ = SmO2- +4.0000 H+
- -llnl_gamma 4.0
- log_k -35.0197
- -delta_H 285.909 kJ/mol # Calculated enthalpy of reaction SmO2-
-# Enthalpy of formation: -233.5 kcal/mol
- -analytic 1.3508e+001 -8.3384e-003 -1.0325e+004 -1.5506e+000 -6.7392e+005
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Sm+++ = SmO2H +3.0000 H+
- -llnl_gamma 3.0
- log_k -25.9304
- -delta_H 226.497 kJ/mol # Calculated enthalpy of reaction SmO2H
-# Enthalpy of formation: -247.7 kcal/mol
- -analytic 3.6882e+002 5.3761e-002 -2.4317e+004 -1.3305e+002 -3.7956e+002
-# -Range: 0-300
-
-1.0000 Sm+++ + 1.0000 H2O = SmOH++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -7.9808
- -delta_H 79.1487 kJ/mol # Calculated enthalpy of reaction SmOH+2
-# Enthalpy of formation: -214.6 kcal/mol
- -analytic 6.3793e+001 1.1977e-002 -6.0852e+003 -2.2198e+001 -9.4972e+001
-# -Range: 0-300
-
-1.0000 Sm+++ + 1.0000 HPO4-- = SmPO4 +1.0000 H+
- -llnl_gamma 3.0
- log_k -0.2218
- -delta_H 0 # Not possible to calculate enthalpy of reaction SmPO4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Sm+++ + 1.0000 SO4-- = SmSO4+
- -llnl_gamma 4.0
- log_k +3.6430
- -delta_H 20.0832 kJ/mol # Calculated enthalpy of reaction SmSO4+
-# Enthalpy of formation: -377.8 kcal/mol
- -analytic 3.0597e+002 8.6258e-002 -9.0231e+003 -1.2032e+002 -1.4089e+002
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Sn++ = Sn(OH)2 +2.0000 H+
- -llnl_gamma 3.0
- log_k -7.9102
- -delta_H 42.0534 kJ/mol # Calculated enthalpy of reaction Sn(OH)2
-# Enthalpy of formation: -128.683 kcal/mol
- -analytic -3.7979e+001 -1.0893e-002 -1.2048e+003 1.5100e+001 -2.0445e+001
-# -Range: 0-200
-
-2.0000 H2O + 1.0000 Sn++++ = Sn(OH)2++ +2.0000 H+
- -llnl_gamma 4.5
- log_k -0.1902
- -delta_H -2.02087 kJ/mol # Calculated enthalpy of reaction Sn(OH)2+2
-# Enthalpy of formation: -129.888 kcal/mol
- -analytic -2.1675e+001 5.9697e-003 3.3953e+003 4.8158e+000 -3.2042e+005
-# -Range: 0-300
-
-3.0000 H2O + 1.0000 Sn++++ = Sn(OH)3+ +3.0000 H+
- -llnl_gamma 4.0
- log_k +0.5148
- -delta_H -7.59396 kJ/mol # Calculated enthalpy of reaction Sn(OH)3+
-# Enthalpy of formation: -199.537 kcal/mol
- -analytic -3.3294e+001 8.8580e-003 5.3803e+003 7.4994e+000 -4.8389e+005
-# -Range: 0-300
-
-3.0000 H2O + 1.0000 Sn++ = Sn(OH)3- +3.0000 H+
- -llnl_gamma 4.0
- log_k -17.4052
- -delta_H 94.7007 kJ/mol # Calculated enthalpy of reaction Sn(OH)3-
-# Enthalpy of formation: -184.417 kcal/mol
- -analytic 1.5614e+002 1.9943e-002 -1.0700e+004 -5.8031e+001 -1.6701e+002
-# -Range: 0-300
-
-4.0000 H2O + 1.0000 Sn++++ = Sn(OH)4 +4.0000 H+
- -llnl_gamma 3.0
- log_k +0.8497
- -delta_H -11.0583 kJ/mol # Calculated enthalpy of reaction Sn(OH)4
-# Enthalpy of formation: -268.682 kcal/mol
- -analytic -7.9563e+001 -2.2641e-002 2.6682e+003 3.1614e+001 4.5337e+001
-# -Range: 0-200
-
-2.0000 SO4-- + 1.0000 Sn++++ = Sn(SO4)2
- -llnl_gamma 3.0
- log_k -0.8072
- -delta_H 0 # Not possible to calculate enthalpy of reaction Sn(SO4)2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Sn++ + 1.0000 Cl- = SnCl+
- -llnl_gamma 4.0
- log_k +1.0500
- -delta_H 0 # Not possible to calculate enthalpy of reaction SnCl+
-# Enthalpy of formation: -0 kcal/mol
-
- -analytic 3.0558e+002 8.2458e-002 -8.9329e+003 -1.2088e+002 -1.3948e+002
-# -Range: 0-300
-
-2.0000 Cl- + 1.0000 Sn++ = SnCl2
- -llnl_gamma 3.0
- log_k +1.7100
- -delta_H 0 # Not possible to calculate enthalpy of reaction SnCl2
-# Enthalpy of formation: -0 kcal/mol
-
- -analytic 3.6600e+002 1.0753e-001 -1.0006e+004 -1.4660e+002 -1.5624e+002
-# -Range: 0-300
-
-3.0000 Cl- + 1.0000 Sn++ = SnCl3-
- -llnl_gamma 4.0
- log_k +1.6900
- -delta_H 0 # Not possible to calculate enthalpy of reaction SnCl3-
-# Enthalpy of formation: -0 kcal/mol
-
- -analytic 3.6019e+002 1.0602e-001 -1.0337e+004 -1.4363e+002 -1.6141e+002
-# -Range: 0-300
-
-1.0000 Sn++ + 1.0000 F- = SnF+
- -llnl_gamma 4.0
- log_k +4.0800
- -delta_H 0 # Not possible to calculate enthalpy of reaction SnF+
-# Enthalpy of formation: -0 kcal/mol
-
- -analytic 3.0020e+002 7.5485e-002 -8.4231e+003 -1.1734e+002 -1.3152e+002
-# -Range: 0-300
-
-2.0000 F- + 1.0000 Sn++ = SnF2
- -llnl_gamma 3.0
- log_k +6.6800
- -delta_H 0 # Not possible to calculate enthalpy of reaction SnF2
-# Enthalpy of formation: -0 kcal/mol
-
- -analytic 4.1241e+002 1.0988e-001 -1.1151e+004 -1.6207e+002 -1.7413e+002
-# -Range: 0-300
-
-3.0000 F- + 1.0000 Sn++ = SnF3-
- -llnl_gamma 4.0
- log_k +9.4600
- -delta_H 0 # Not possible to calculate enthalpy of reaction SnF3-
-# Enthalpy of formation: -0 kcal/mol
-
- -analytic 4.1793e+002 1.0898e-001 -1.1402e+004 -1.6273e+002 -1.7803e+002
-# -Range: 0-300
-
-1.0000 Sn++ + 1.0000 H2O = SnOH+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -3.9851
- -delta_H 21.2045 kJ/mol # Calculated enthalpy of reaction SnOH+
-# Enthalpy of formation: -65.349 kcal/mol
- -analytic 7.7253e+001 1.9149e-002 -3.3745e+003 -3.0560e+001 -5.2679e+001
-# -Range: 0-300
-
-1.0000 Sn++++ + 1.0000 H2O = SnOH+++ +1.0000 H+
- -llnl_gamma 5.0
- log_k +0.6049
- -delta_H -5.00406 kJ/mol # Calculated enthalpy of reaction SnOH+3
-# Enthalpy of formation: -62.284 kcal/mol
- -analytic -1.1548e+001 2.8878e-003 1.9476e+003 2.6622e+000 -1.6274e+005
-# -Range: 0-300
-
-1.0000 Sn++++ + 1.0000 SO4-- = SnSO4++
- -llnl_gamma 4.5
- log_k -3.1094
- -delta_H 0 # Not possible to calculate enthalpy of reaction SnSO4+2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HAcetate + 1.0000 Sr++ = Sr(Acetate)2 +2.0000 H+
- -llnl_gamma 3.0
- log_k -7.8212
- -delta_H 0.54392 kJ/mol # Calculated enthalpy of reaction Sr(Acetate)2
-# Enthalpy of formation: -363.74 kcal/mol
- -analytic 1.2965e+001 4.7082e-003 -5.2538e+003 -5.2337e+000 7.4721e+005
-# -Range: 0-300
-
-1.0000 Sr++ + 1.0000 HAcetate = SrAcetate+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -3.6724
- -delta_H 2.3012 kJ/mol # Calculated enthalpy of reaction SrAcetate+
-# Enthalpy of formation: -247.22 kcal/mol
- -analytic -1.4301e+001 1.2481e-003 -7.5690e+002 4.2760e+000 1.9800e+005
-# -Range: 0-300
-
-1.0000 Sr++ + 1.0000 HCO3- = SrCO3 +1.0000 H+
- -llnl_gamma 3.0
- log_k -7.4635
- -delta_H 33.2544 kJ/mol # Calculated enthalpy of reaction SrCO3
-# Enthalpy of formation: -288.62 kcal/mol
- -analytic 2.2303e+002 5.2582e-002 -8.4861e+003 -8.7975e+001 -1.3248e+002
-# -Range: 0-300
-
-1.0000 Sr++ + 1.0000 Cl- = SrCl+
- -llnl_gamma 4.0
- log_k -0.2485
- -delta_H 7.58559 kJ/mol # Calculated enthalpy of reaction SrCl+
-# Enthalpy of formation: -169.79 kcal/mol
- -analytic 9.4568e+001 3.9042e-002 -2.1458e+003 -4.0105e+001 -3.3511e+001
-# -Range: 0-300
-
-1.0000 Sr++ + 1.0000 F- = SrF+
- -llnl_gamma 4.0
- log_k +0.1393
- -delta_H 4.8116 kJ/mol # Calculated enthalpy of reaction SrF+
-# Enthalpy of formation: -210.67 kcal/mol
- -analytic 9.0295e+001 3.7609e-002 -1.9012e+003 -3.8379e+001 -2.9693e+001
-# -Range: 0-300
-
-1.0000 Sr++ + 1.0000 HPO4-- + 1.0000 H+ = SrH2PO4+
- -llnl_gamma 4.0
- log_k +0.7300
- -delta_H 0 # Not possible to calculate enthalpy of reaction SrH2PO4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Sr++ + 1.0000 HPO4-- = SrHPO4
- -llnl_gamma 3.0
- log_k +2.0600
- -delta_H 0 # Not possible to calculate enthalpy of reaction SrHPO4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Sr++ + 1.0000 NO3- = SrNO3+
- -llnl_gamma 4.0
- log_k +0.8000
- -delta_H 0 # Not possible to calculate enthalpy of reaction SrNO3+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Sr++ + 1.0000 H2O = SrOH+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -13.29
- -delta_H 0 # Not possible to calculate enthalpy of reaction SrOH+
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Sr++ = SrP2O7-- +1.0000 H2O
- -llnl_gamma 4.0
- log_k +1.6537
- -delta_H 0 # Not possible to calculate enthalpy of reaction SrP2O7-2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Sr++ + 1.0000 SO4-- = SrSO4
- -llnl_gamma 3.0
- log_k +2.3000
- -delta_H 0 # Not possible to calculate enthalpy of reaction SrSO4
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HAcetate + 1.0000 Tb+++ = Tb(Acetate)2+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -4.9625
- -delta_H -27.9491 kJ/mol # Calculated enthalpy of reaction Tb(Acetate)2+
-# Enthalpy of formation: -405.78 kcal/mol
- -analytic -2.3910e+001 1.3433e-003 -8.0800e+002 6.3895e+000 4.8619e+005
-# -Range: 0-300
-
-3.0000 HAcetate + 1.0000 Tb+++ = Tb(Acetate)3 +3.0000 H+
- -llnl_gamma 3.0
- log_k -8.3489
- -delta_H -47.1537 kJ/mol # Calculated enthalpy of reaction Tb(Acetate)3
-# Enthalpy of formation: -526.47 kcal/mol
- -analytic -1.0762e+001 4.2361e-003 -1.5620e+003 -3.9317e-001 6.5745e+005
-# -Range: 0-300
-
-2.0000 HCO3- + 1.0000 Tb+++ = Tb(CO3)2- +2.0000 H+
- -llnl_gamma 4.0
- log_k -7.5576
- -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(CO3)2-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Tb+++ = Tb(HPO4)2-
- -llnl_gamma 4.0
- log_k +9.7000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(HPO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Tb+++ = Tb(PO4)2--- +2.0000 H+
- -llnl_gamma 4.0
- log_k -3.6437
- -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(PO4)2-3
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 SO4-- + 1.0000 Tb+++ = Tb(SO4)2-
- -llnl_gamma 4.0
- log_k +5.0000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(SO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Tb+++ + 1.0000 HAcetate = TbAcetate++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -2.1037
- -delta_H -14.2256 kJ/mol # Calculated enthalpy of reaction TbAcetate+2
-# Enthalpy of formation: -286.4 kcal/mol
- -analytic -1.6817e+001 6.4290e-004 -3.4442e+002 5.0994e+000 2.7304e+005
-# -Range: 0-300
-
-1.0000 Tb+++ + 1.0000 HCO3- = TbCO3+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -2.4057
- -delta_H 89.5292 kJ/mol # Calculated enthalpy of reaction TbCO3+
-# Enthalpy of formation: -310.4 kcal/mol
- -analytic 2.2347e+002 5.4185e-002 -6.4127e+003 -8.9112e+001 -1.0013e+002
-# -Range: 0-300
-
-1.0000 Tb+++ + 1.0000 Cl- = TbCl++
- -llnl_gamma 4.5
- log_k +0.2353
- -delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction TbCl+2
-# Enthalpy of formation: -203.5 kcal/mol
- -analytic 7.1095e+001 3.7367e-002 -1.4676e+003 -3.1140e+001 -2.2921e+001
-# -Range: 0-300
-
-2.0000 Cl- + 1.0000 Tb+++ = TbCl2+
- -llnl_gamma 4.0
- log_k -0.0425
- -delta_H 18.2673 kJ/mol # Calculated enthalpy of reaction TbCl2+
-# Enthalpy of formation: -242.4 kcal/mol
- -analytic 2.0699e+002 7.9609e-002 -5.0958e+003 -8.6337e+001 -7.9576e+001
-# -Range: 0-300
-
-3.0000 Cl- + 1.0000 Tb+++ = TbCl3
- -llnl_gamma 3.0
- log_k -0.4669
- -delta_H 10.0374 kJ/mol # Calculated enthalpy of reaction TbCl3
-# Enthalpy of formation: -284.3 kcal/mol
- -analytic 4.0764e+002 1.2809e-001 -1.0704e+004 -1.6583e+002 -1.6715e+002
-# -Range: 0-300
-
-4.0000 Cl- + 1.0000 Tb+++ = TbCl4-
- -llnl_gamma 4.0
- log_k -0.8913
- -delta_H -11.5813 kJ/mol # Calculated enthalpy of reaction TbCl4-
-# Enthalpy of formation: -329.4 kcal/mol
- -analytic 4.6247e+002 1.2926e-001 -1.2117e+004 -1.8639e+002 -1.8921e+002
-# -Range: 0-300
-
-1.0000 Tb+++ + 1.0000 F- = TbF++
- -llnl_gamma 4.5
- log_k +4.6619
- -delta_H 22.8028 kJ/mol # Calculated enthalpy of reaction TbF+2
-# Enthalpy of formation: -241.6 kcal/mol
- -analytic 9.2579e+001 4.1327e-002 -2.3647e+003 -3.7293e+001 -3.6927e+001
-# -Range: 0-300
-
-2.0000 F- + 1.0000 Tb+++ = TbF2+
- -llnl_gamma 4.0
- log_k +8.1510
- -delta_H 12.1336 kJ/mol # Calculated enthalpy of reaction TbF2+
-# Enthalpy of formation: -324.3 kcal/mol
- -analytic 2.3100e+002 8.4094e-002 -5.2548e+003 -9.3051e+001 -8.2065e+001
-# -Range: 0-300
-
-3.0000 F- + 1.0000 Tb+++ = TbF3
- -llnl_gamma 3.0
- log_k +10.6872
- -delta_H -11.9244 kJ/mol # Calculated enthalpy of reaction TbF3
-# Enthalpy of formation: -410.2 kcal/mol
- -analytic 4.3730e+002 1.3479e-001 -1.0128e+004 -1.7489e+002 -1.5817e+002
-# -Range: 0-300
-
-4.0000 F- + 1.0000 Tb+++ = TbF4-
- -llnl_gamma 4.0
- log_k +12.7836
- -delta_H -56.0656 kJ/mol # Calculated enthalpy of reaction TbF4-
-# Enthalpy of formation: -500.9 kcal/mol
- -analytic 4.8546e+002 1.3511e-001 -1.0189e+004 -1.9347e+002 -1.5913e+002
-# -Range: 0-300
-
-1.0000 Tb+++ + 1.0000 HPO4-- + 1.0000 H+ = TbH2PO4++
- -llnl_gamma 4.5
- log_k +9.3751
- -delta_H -17.51 kJ/mol # Calculated enthalpy of reaction TbH2PO4+2
-# Enthalpy of formation: -479.9 kcal/mol
- -analytic 1.0042e+002 6.2886e-002 6.0975e+002 -4.5178e+001 9.4847e+000
-# -Range: 0-300
-
-1.0000 Tb+++ + 1.0000 HCO3- = TbHCO3++
- -llnl_gamma 4.5
- log_k +1.6991
- -delta_H -14.6524 kJ/mol # Calculated enthalpy of reaction TbHCO3+2
-# Enthalpy of formation: -335.3 kcal/mol
- -analytic 1.7376e+001 2.8365e-002 1.6982e+003 -1.2044e+001 2.6494e+001
-# -Range: 0-300
-
-1.0000 Tb+++ + 1.0000 HPO4-- = TbHPO4+
- -llnl_gamma 4.0
- log_k +5.8000
- -delta_H 0 # Not possible to calculate enthalpy of reaction TbHPO4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Tb+++ + 1.0000 NO3- = TbNO3++
- -llnl_gamma 4.5
- log_k +0.5080
- -delta_H -31.2587 kJ/mol # Calculated enthalpy of reaction TbNO3+2
-# Enthalpy of formation: -223.8 kcal/mol
- -analytic 8.7852e+000 2.4868e-002 2.5553e+003 -9.7944e+000 3.9871e+001
-# -Range: 0-300
-
-1.0000 Tb+++ + 1.0000 H2O = TbO+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -16.1904
- -delta_H 109.692 kJ/mol # Calculated enthalpy of reaction TbO+
-# Enthalpy of formation: -209 kcal/mol
- -analytic 1.7975e+002 2.9563e-002 -1.3407e+004 -6.4573e+001 -2.0926e+002
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Tb+++ = TbO2- +4.0000 H+
- -llnl_gamma 4.0
- log_k -34.2134
- -delta_H 278.797 kJ/mol # Calculated enthalpy of reaction TbO2-
-# Enthalpy of formation: -236.9 kcal/mol
- -analytic 1.6924e+002 1.1804e-002 -1.9821e+004 -5.6781e+001 -3.0933e+002
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Tb+++ = TbO2H +3.0000 H+
- -llnl_gamma 3.0
- log_k -25.0508
- -delta_H 219.802 kJ/mol # Calculated enthalpy of reaction TbO2H
-# Enthalpy of formation: -251 kcal/mol
- -analytic 3.2761e+002 4.5225e-002 -2.2652e+004 -1.1727e+002 -3.5356e+002
-# -Range: 0-300
-
-1.0000 Tb+++ + 1.0000 H2O = TbOH++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -7.8342
- -delta_H 77.4751 kJ/mol # Calculated enthalpy of reaction TbOH+2
-# Enthalpy of formation: -216.7 kcal/mol
- -analytic 5.9574e+001 1.1625e-002 -5.8143e+003 -2.0759e+001 -9.0744e+001
-# -Range: 0-300
-
-1.0000 Tb+++ + 1.0000 HPO4-- = TbPO4 +1.0000 H+
- -llnl_gamma 3.0
- log_k +0.0782
- -delta_H 0 # Not possible to calculate enthalpy of reaction TbPO4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Tb+++ + 1.0000 SO4-- = TbSO4+
- -llnl_gamma 4.0
- log_k +3.6430
- -delta_H 19.6648 kJ/mol # Calculated enthalpy of reaction TbSO4+
-# Enthalpy of formation: -379.6 kcal/mol
- -analytic 2.9633e+002 8.5155e-002 -8.6346e+003 -1.1682e+002 -1.3482e+002
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 TcO++ = TcO(OH)2 +2.0000 H+
- -llnl_gamma 3.0
- log_k -3.3221
- -delta_H 0 # Not possible to calculate enthalpy of reaction TcO(OH)2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 TcO++ + 1.0000 H2O = TcOOH+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -1.1355
- -delta_H 0 # Not possible to calculate enthalpy of reaction TcOOH+
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 2.0000 H+ + 1.0000 Th++++ = Th(H2PO4)2++
- -llnl_gamma 4.5
- log_k +23.2070
- -delta_H 0 # Not possible to calculate enthalpy of reaction Th(H2PO4)2+2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Th++++ = Th(HPO4)2
- -llnl_gamma 3.0
- log_k +22.6939
- -delta_H -13.644 kJ/mol # Calculated enthalpy of reaction Th(HPO4)2
-# Enthalpy of formation: -804.691 kcal/mol
- -analytic 6.5208e+002 2.3099e-001 -1.2990e+004 -2.6457e+002 -2.2082e+002
-# -Range: 0-200
-
-3.0000 HPO4-- + 1.0000 Th++++ = Th(HPO4)3--
- -llnl_gamma 4.0
- log_k +31.1894
- -delta_H 0 # Not possible to calculate enthalpy of reaction Th(HPO4)3-2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H2O + 1.0000 Th++++ = Th(OH)2++ +2.0000 H+
- -llnl_gamma 4.5
- log_k -7.1068
- -delta_H 58.668 kJ/mol # Calculated enthalpy of reaction Th(OH)2+2
-# Enthalpy of formation: -306.412 kcal/mol
- -analytic -1.1274e+001 3.4195e-003 -3.7553e+002 3.1299e+000 -2.9696e+005
-# -Range: 0-300
-
-3.0000 H2O + 1.0000 Th++++ = Th(OH)3+ +3.0000 H+
- -llnl_gamma 4.0
- log_k -11.8623
- -delta_H 86.1318 kJ/mol # Calculated enthalpy of reaction Th(OH)3+
-# Enthalpy of formation: -368.165 kcal/mol
-4.0000 H2O + 1.0000 Th++++ = Th(OH)4 +4.0000 H+
- -llnl_gamma 3.0
- log_k -16.0315
- -delta_H 104.01 kJ/mol # Calculated enthalpy of reaction Th(OH)4
-# Enthalpy of formation: -432.209 kcal/mol
- -analytic 2.9534e+001 1.5550e-002 -5.6680e+003 -1.2598e+001 -9.6262e+001
-# -Range: 0-200
-
-2.0000 SO4-- + 1.0000 Th++++ = Th(SO4)2
- -llnl_gamma 3.0
- log_k +9.6170
- -delta_H 32.2377 kJ/mol # Calculated enthalpy of reaction Th(SO4)2
-# Enthalpy of formation: -610.895 kcal/mol
- -analytic 4.6425e+002 1.6769e-001 -1.1195e+004 -1.8875e+002 -1.9027e+002
-# -Range: 0-200
-
-3.0000 SO4-- + 1.0000 Th++++ = Th(SO4)3--
- -llnl_gamma 4.0
- log_k +10.4014
- -delta_H 0 # Not possible to calculate enthalpy of reaction Th(SO4)3-2
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 SO4-- + 1.0000 Th++++ = Th(SO4)4----
- -llnl_gamma 4.0
- log_k +8.4003
- -delta_H 0 # Not possible to calculate enthalpy of reaction Th(SO4)4-4
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 Th++++ + 2.0000 H2O = Th2(OH)2+6 +2.0000 H+
- -llnl_gamma 6.0
- log_k -6.4618
- -delta_H 63.7181 kJ/mol # Calculated enthalpy of reaction Th2(OH)2+6
-# Enthalpy of formation: -489.005 kcal/mol
- -analytic 6.8838e+001 -4.1348e-003 -6.4415e+003 -2.1200e+001 -1.0053e+002
-# -Range: 0-300
-
-8.0000 H2O + 4.0000 Th++++ = Th4(OH)8+8 +8.0000 H+
- -llnl_gamma 6.0
- log_k -21.7568
- -delta_H 245.245 kJ/mol # Calculated enthalpy of reaction Th4(OH)8+8
-# Enthalpy of formation: -1223.12 kcal/mol
- -analytic 2.7826e+002 -2.3504e-003 -2.4410e+004 -8.7873e+001 -3.8097e+002
-# -Range: 0-300
-
-15.0000 H2O + 6.0000 Th++++ = Th6(OH)15+9 +15.0000 H+
- -llnl_gamma 6.0
- log_k -37.7027
- -delta_H 458.248 kJ/mol # Calculated enthalpy of reaction Th6(OH)15+9
-# Enthalpy of formation: -2018.03 kcal/mol
- -analytic 5.2516e+002 3.3015e-003 -4.5237e+004 -1.6654e+002 -7.0603e+002
-# -Range: 0-300
-
-1.0000 Th++++ + 1.0000 Cl- = ThCl+++
- -llnl_gamma 5.0
- log_k +0.9536
- -delta_H 0.06276 kJ/mol # Calculated enthalpy of reaction ThCl+3
-# Enthalpy of formation: -223.718 kcal/mol
- -analytic 9.7430e+001 3.9398e-002 -1.8653e+003 -4.1202e+001 -2.9135e+001
-# -Range: 0-300
-
-2.0000 Cl- + 1.0000 Th++++ = ThCl2++
- -llnl_gamma 4.5
- log_k +0.6758
- -delta_H 0 # Not possible to calculate enthalpy of reaction ThCl2+2
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 Cl- + 1.0000 Th++++ = ThCl3+
- -llnl_gamma 4.0
- log_k +1.4975
- -delta_H 0 # Not possible to calculate enthalpy of reaction ThCl3+
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 Cl- + 1.0000 Th++++ = ThCl4
- -llnl_gamma 3.0
- log_k +1.0731
- -delta_H 0 # Not possible to calculate enthalpy of reaction ThCl4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Th++++ + 1.0000 F- = ThF+++
- -llnl_gamma 5.0
- log_k +7.8725
- -delta_H -4.87436 kJ/mol # Calculated enthalpy of reaction ThF+3
-# Enthalpy of formation: -265.115 kcal/mol
- -analytic 1.1679e+002 3.9201e-002 -2.2118e+003 -4.5736e+001 -3.4548e+001
-# -Range: 0-300
-
-2.0000 F- + 1.0000 Th++++ = ThF2++
- -llnl_gamma 4.5
- log_k +14.0884
- -delta_H -7.77806 kJ/mol # Calculated enthalpy of reaction ThF2+2
-# Enthalpy of formation: -345.959 kcal/mol
- -analytic 2.3200e+002 7.9567e-002 -4.4418e+003 -9.1617e+001 -6.9379e+001
-# -Range: 0-300
-
-3.0000 F- + 1.0000 Th++++ = ThF3+
- -llnl_gamma 4.0
- log_k +18.7357
- -delta_H -11.7068 kJ/mol # Calculated enthalpy of reaction ThF3+
-# Enthalpy of formation: -427.048 kcal/mol
- -analytic 3.4511e+002 1.2149e-001 -6.5065e+003 -1.3770e+002 -1.0163e+002
-# -Range: 0-300
-
-4.0000 F- + 1.0000 Th++++ = ThF4
- -llnl_gamma 3.0
- log_k +22.1515
- -delta_H -14.8448 kJ/mol # Calculated enthalpy of reaction ThF4
-# Enthalpy of formation: -507.948 kcal/mol
- -analytic 6.1206e+002 2.1878e-001 -1.1938e+004 -2.4857e+002 -2.0294e+002
-# -Range: 0-200
-
-1.0000 Th++++ + 1.0000 HPO4-- + 1.0000 H+ = ThH2PO4+++
- -llnl_gamma 5.0
- log_k +11.7061
- -delta_H 0 # Not possible to calculate enthalpy of reaction ThH2PO4+3
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H+ + 1.0000 Th++++ + 1.0000 HPO4-- = ThH3PO4++++
- -llnl_gamma 5.5
- log_k +11.1197
- -delta_H 0 # Not possible to calculate enthalpy of reaction ThH3PO4+4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Th++++ + 1.0000 HPO4-- = ThHPO4++
- -llnl_gamma 4.5
- log_k +10.6799
- -delta_H 0.1046 kJ/mol # Calculated enthalpy of reaction ThHPO4+2
-# Enthalpy of formation: -492.59 kcal/mol
-1.0000 Th++++ + 1.0000 H2O = ThOH+++ +1.0000 H+
- -llnl_gamma 5.0
- log_k -3.8871
- -delta_H 25.0275 kJ/mol # Calculated enthalpy of reaction ThOH+3
-# Enthalpy of formation: -1029.83 kJ/mol
- -analytic 1.0495e+001 5.1532e-003 -8.6396e+002 -4.8420e+000 -9.2609e+004
-# -Range: 0-300
-
-1.0000 Th++++ + 1.0000 SO4-- = ThSO4++
- -llnl_gamma 4.5
- log_k +5.3143
- -delta_H 16.3511 kJ/mol # Calculated enthalpy of reaction ThSO4+2
-# Enthalpy of formation: -397.292 kcal/mol
- -analytic 1.9443e+002 7.5245e-002 -4.5010e+003 -7.9379e+001 -7.0291e+001
-# -Range: 0-300
-
-2.0000 HAcetate + 1.0000 Tl+ = Tl(Acetate)2- +2.0000 H+
- -llnl_gamma 4.0
- log_k -10.0129
- -delta_H 1.2552 kJ/mol # Calculated enthalpy of reaction Tl(Acetate)2-
-# Enthalpy of formation: -230.62 kcal/mol
- -analytic -1.8123e+002 -4.0616e-002 5.0741e+003 6.7216e+001 7.9229e+001
-# -Range: 0-300
-
-1.0000 Tl+ + 1.0000 HAcetate = TlAcetate +1.0000 H+
- -llnl_gamma 3.0
- log_k -4.8672
- -delta_H 6.15048 kJ/mol # Calculated enthalpy of reaction TlAcetate
-# Enthalpy of formation: -113.35 kcal/mol
- -analytic 9.2977e+000 -3.4368e-003 -2.1748e+003 -3.1454e+000 1.7273e+005
-# -Range: 0-300
-
-2.0000 HAcetate + 1.0000 Tm+++ = Tm(Acetate)2+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -4.9844
- -delta_H -32.5934 kJ/mol # Calculated enthalpy of reaction Tm(Acetate)2+
-# Enthalpy of formation: -408.49 kcal/mol
- -analytic -2.8983e+001 2.0256e-003 -1.1525e+003 8.2163e+000 6.1820e+005
-# -Range: 0-300
-
-3.0000 HAcetate + 1.0000 Tm+++ = Tm(Acetate)3 +3.0000 H+
- -llnl_gamma 3.0
- log_k -8.3783
- -delta_H -54.8104 kJ/mol # Calculated enthalpy of reaction Tm(Acetate)3
-# Enthalpy of formation: -529.9 kcal/mol
- -analytic -2.8900e+001 4.9633e-003 -1.6574e+003 6.0186e+000 8.6624e+005
-# -Range: 0-300
-
-2.0000 HCO3- + 1.0000 Tm+++ = Tm(CO3)2- +2.0000 H+
- -llnl_gamma 4.0
- log_k -7.1576
- -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(CO3)2-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Tm+++ = Tm(HPO4)2-
- -llnl_gamma 4.0
- log_k +10.1000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(HPO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Tm+++ = Tm(PO4)2--- +2.0000 H+
- -llnl_gamma 4.0
- log_k -3.0437
- -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(PO4)2-3
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 SO4-- + 1.0000 Tm+++ = Tm(SO4)2-
- -llnl_gamma 4.0
- log_k +5.1000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(SO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Tm+++ + 1.0000 HAcetate = TmAcetate++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -2.1184
- -delta_H -16.3176 kJ/mol # Calculated enthalpy of reaction TmAcetate+2
-# Enthalpy of formation: -288.5 kcal/mol
- -analytic -1.6068e+001 1.2043e-003 -6.2777e+002 4.8318e+000 3.3363e+005
-# -Range: 0-300
-
-1.0000 Tm+++ + 1.0000 HCO3- = TmCO3+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -2.1125
- -delta_H 86.6004 kJ/mol # Calculated enthalpy of reaction TmCO3+
-# Enthalpy of formation: -312.7 kcal/mol
- -analytic 2.3889e+002 5.4733e-002 -6.9382e+003 -9.4581e+001 -1.0833e+002
-# -Range: 0-300
-
-1.0000 Tm+++ + 1.0000 Cl- = TmCl++
- -llnl_gamma 4.5
- log_k +0.2353
- -delta_H 13.1085 kJ/mol # Calculated enthalpy of reaction TmCl+2
-# Enthalpy of formation: -205.3 kcal/mol
- -analytic 7.4795e+001 3.7655e-002 -1.5701e+003 -3.2531e+001 -2.4523e+001
-# -Range: 0-300
-
-2.0000 Cl- + 1.0000 Tm+++ = TmCl2+
- -llnl_gamma 4.0
- log_k -0.0425
- -delta_H 15.7569 kJ/mol # Calculated enthalpy of reaction TmCl2+
-# Enthalpy of formation: -244.6 kcal/mol
- -analytic 2.0352e+002 7.9173e-002 -4.8574e+003 -8.5202e+001 -7.5855e+001
-# -Range: 0-300
-
-3.0000 Cl- + 1.0000 Tm+++ = TmCl3
- -llnl_gamma 3.0
- log_k -0.4669
- -delta_H 5.43502 kJ/mol # Calculated enthalpy of reaction TmCl3
-# Enthalpy of formation: -287 kcal/mol
- -analytic 3.9793e+002 1.2777e-001 -1.0070e+004 -1.6272e+002 -1.5725e+002
-# -Range: 0-300
-
-4.0000 Cl- + 1.0000 Tm+++ = TmCl4-
- -llnl_gamma 4.0
- log_k -0.8913
- -delta_H -20.3677 kJ/mol # Calculated enthalpy of reaction TmCl4-
-# Enthalpy of formation: -333.1 kcal/mol
- -analytic 4.3574e+002 1.2655e-001 -1.0713e+004 -1.7716e+002 -1.6730e+002
-# -Range: 0-300
-
-1.0000 Tm+++ + 1.0000 F- = TmF++
- -llnl_gamma 4.5
- log_k +4.8085
- -delta_H 23.6396 kJ/mol # Calculated enthalpy of reaction TmF+2
-# Enthalpy of formation: -243 kcal/mol
- -analytic 9.7686e+001 4.1890e-002 -2.5909e+003 -3.9059e+001 -4.0457e+001
-# -Range: 0-300
-
-2.0000 F- + 1.0000 Tm+++ = TmF2+
- -llnl_gamma 4.0
- log_k +8.3709
- -delta_H 12.552 kJ/mol # Calculated enthalpy of reaction TmF2+
-# Enthalpy of formation: -325.8 kcal/mol
- -analytic 2.2986e+002 8.4119e-002 -5.2144e+003 -9.2558e+001 -8.1433e+001
-# -Range: 0-300
-
-3.0000 F- + 1.0000 Tm+++ = TmF3
- -llnl_gamma 3.0
- log_k +10.9804
- -delta_H -12.7612 kJ/mol # Calculated enthalpy of reaction TmF3
-# Enthalpy of formation: -412 kcal/mol
- -analytic 4.2855e+002 1.3445e-001 -9.7045e+003 -1.7177e+002 -1.5156e+002
-# -Range: 0-300
-
-4.0000 F- + 1.0000 Tm+++ = TmF4-
- -llnl_gamma 4.0
- log_k +13.1501
- -delta_H -60.668 kJ/mol # Calculated enthalpy of reaction TmF4-
-# Enthalpy of formation: -503.6 kcal/mol
- -analytic 4.6559e+002 1.3386e-001 -9.1790e+003 -1.8650e+002 -1.4337e+002
-# -Range: 0-300
-
-1.0000 Tm+++ + 1.0000 HPO4-- + 1.0000 H+ = TmH2PO4++
- -llnl_gamma 4.5
- log_k +9.4484
- -delta_H -20.4388 kJ/mol # Calculated enthalpy of reaction TmH2PO4+2
-# Enthalpy of formation: -482.2 kcal/mol
- -analytic 1.0360e+002 6.3085e-002 6.0731e+002 -4.6456e+001 9.4456e+000
-# -Range: 0-300
-
-1.0000 Tm+++ + 1.0000 HCO3- = TmHCO3++
- -llnl_gamma 4.5
- log_k +1.7724
- -delta_H 5.01243 kJ/mol # Calculated enthalpy of reaction TmHCO3+2
-# Enthalpy of formation: -332.2 kcal/mol
- -analytic 3.3102e+001 3.1010e-002 2.9880e+002 -1.6791e+001 4.6524e+000
-# -Range: 0-300
-
-1.0000 Tm+++ + 1.0000 HPO4-- = TmHPO4+
- -llnl_gamma 4.0
- log_k +5.9000
- -delta_H 0 # Not possible to calculate enthalpy of reaction TmHPO4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Tm+++ + 1.0000 NO3- = TmNO3++
- -llnl_gamma 4.5
- log_k +0.2148
- -delta_H -33.7691 kJ/mol # Calculated enthalpy of reaction TmNO3+2
-# Enthalpy of formation: -226 kcal/mol
- -analytic 1.1085e+001 2.4898e-002 2.5664e+003 -1.0861e+001 4.0043e+001
-# -Range: 0-300
-
-1.0000 Tm+++ + 1.0000 H2O = TmO+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -15.8972
- -delta_H 105.508 kJ/mol # Calculated enthalpy of reaction TmO+
-# Enthalpy of formation: -211.6 kcal/mol
- -analytic 1.7572e+002 2.8756e-002 -1.3096e+004 -6.3150e+001 -2.0441e+002
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Tm+++ = TmO2- +4.0000 H+
- -llnl_gamma 4.0
- log_k -32.6741
- -delta_H 266.663 kJ/mol # Calculated enthalpy of reaction TmO2-
-# Enthalpy of formation: -241.4 kcal/mol
- -analytic 3.3118e+001 -5.2802e-003 -1.1318e+004 -8.4764e+000 -4.6998e+005
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Tm+++ = TmO2H +3.0000 H+
- -llnl_gamma 3.0
- log_k -24.1712
- -delta_H 211.853 kJ/mol # Calculated enthalpy of reaction TmO2H
-# Enthalpy of formation: -254.5 kcal/mol
- -analytic 3.1648e+002 4.4527e-002 -2.1821e+004 -1.1345e+002 -3.4059e+002
-# -Range: 0-300
-
-1.0000 Tm+++ + 1.0000 H2O = TmOH++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -7.6876
- -delta_H 74.5463 kJ/mol # Calculated enthalpy of reaction TmOH+2
-# Enthalpy of formation: -219 kcal/mol
- -analytic 5.7572e+001 1.1162e-002 -5.6381e+003 -2.0074e+001 -8.7994e+001
-# -Range: 0-300
-
-1.0000 Tm+++ + 1.0000 HPO4-- = TmPO4 +1.0000 H+
- -llnl_gamma 3.0
- log_k +0.4782
- -delta_H 0 # Not possible to calculate enthalpy of reaction TmPO4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Tm+++ + 1.0000 SO4-- = TmSO4+
- -llnl_gamma 4.0
- log_k +3.5697
- -delta_H 19.9995 kJ/mol # Calculated enthalpy of reaction TmSO4+
-# Enthalpy of formation: -381.12 kcal/mol
- -analytic 3.0441e+002 8.6070e-002 -8.9592e+003 -1.1979e+002 -1.3989e+002
-# -Range: 0-300
-
-4.0000 HCO3- + 1.0000 U++++ = U(CO3)4---- +4.0000 H+
- -llnl_gamma 4.0
- log_k -6.2534
- -delta_H 0 # Not possible to calculate enthalpy of reaction U(CO3)4-4
-# Enthalpy of formation: -0 kcal/mol
-
-5.0000 HCO3- + 1.0000 U++++ = U(CO3)5-6 +5.0000 H+
- -llnl_gamma 4.0
- log_k -17.7169
- -delta_H 53.5172 kJ/mol # Calculated enthalpy of reaction U(CO3)5-6
-# Enthalpy of formation: -3987.35 kJ/mol
- -analytic 6.3020e+002 1.9391e-001 -1.9238e+004 -2.5912e+002 -3.0038e+002
-# -Range: 0-300
-
-2.0000 NO3- + 1.0000 U++++ = U(NO3)2++
- -llnl_gamma 4.5
- log_k +2.2610
- -delta_H 0 # Not possible to calculate enthalpy of reaction U(NO3)2+2
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 H2O + 1.0000 U++++ = U(OH)4 +4.0000 H+
- -llnl_gamma 3.0
- log_k -4.57
- -delta_H 78.7553 kJ/mol # Calculated enthalpy of reaction U(OH)4
-# Enthalpy of formation: -1655.8 kJ/mol
- -analytic 2.6685e+002 9.8204e-002 -9.4428e+003 -1.0871e+002 -1.6045e+002
-# -Range: 0-200
-
-2.0000 Thiocyanate- + 1.0000 U++++ = U(Thiocyanate)2++
- -llnl_gamma 4.5
- log_k +4.2600
- -delta_H 0 # Not possible to calculate enthalpy of reaction U(Thiocyanate)2+2
-# Enthalpy of formation: -456.4 kJ/mol
- -analytic 6.2193e+000 2.7673e-002 2.4326e+003 -7.4158e+000 3.7957e+001
-# -Range: 0-300
-
-2.0000 SO4-- + 1.0000 U++++ = U(SO4)2
- -llnl_gamma 3.0
- log_k +10.3507
- -delta_H 33.2232 kJ/mol # Calculated enthalpy of reaction U(SO4)2
-# Enthalpy of formation: -2377.18 kJ/mol
- -analytic 4.9476e+002 1.7832e-001 -1.1901e+004 -2.0111e+002 -2.0227e+002
-# -Range: 0-200
-
-1.0000 U++++ + 1.0000 Br- = UBr+++
- -llnl_gamma 5.0
- log_k +1.4240
- -delta_H 0 # Not possible to calculate enthalpy of reaction UBr+3
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 U++++ + 1.0000 Cl- = UCl+++
- -llnl_gamma 5.0
- log_k +1.7073
- -delta_H -18.9993 kJ/mol # Calculated enthalpy of reaction UCl+3
-# Enthalpy of formation: -777.279 kJ/mol
- -analytic 9.4418e+001 4.1718e-002 -7.0675e+002 -4.1532e+001 -1.1056e+001
-# -Range: 0-300
-
-1.0000 U++++ + 1.0000 F- = UF+++
- -llnl_gamma 5.0
- log_k +9.2403
- -delta_H -5.6024 kJ/mol # Calculated enthalpy of reaction UF+3
-# Enthalpy of formation: -932.15 kJ/mol
- -analytic 1.1828e+002 3.8097e-002 -2.2531e+003 -4.5594e+001 -3.5193e+001
-# -Range: 0-300
-
-2.0000 F- + 1.0000 U++++ = UF2++
- -llnl_gamma 4.5
- log_k +16.1505
- -delta_H -3.5048 kJ/mol # Calculated enthalpy of reaction UF2+2
-# Enthalpy of formation: -1265.4 kJ/mol
- -analytic 2.3537e+002 7.7064e-002 -4.8455e+003 -9.1296e+001 -7.5679e+001
-# -Range: 0-300
-
-3.0000 F- + 1.0000 U++++ = UF3+
- -llnl_gamma 4.0
- log_k +21.4806
- -delta_H 0.4938 kJ/mol # Calculated enthalpy of reaction UF3+
-# Enthalpy of formation: -1596.75 kJ/mol
- -analytic 3.5097e+002 1.1714e-001 -7.4569e+003 -1.3714e+002 -1.1646e+002
-# -Range: 0-300
-
-4.0000 F- + 1.0000 U++++ = UF4
- -llnl_gamma 3.0
- log_k +25.4408
- -delta_H -4.2146 kJ/mol # Calculated enthalpy of reaction UF4
-# Enthalpy of formation: -1936.81 kJ/mol
- -analytic 7.8549e+002 2.7922e-001 -1.6213e+004 -3.1881e+002 -2.7559e+002
-# -Range: 0-200
-
-5.0000 F- + 1.0000 U++++ = UF5-
- -llnl_gamma 4.0
- log_k +26.8110
- -delta_H 0 # Not possible to calculate enthalpy of reaction UF5-
-# Enthalpy of formation: -0 kcal/mol
-
-6.0000 F- + 1.0000 U++++ = UF6--
- -llnl_gamma 4.0
- log_k +28.8412
- -delta_H 0 # Not possible to calculate enthalpy of reaction UF6-2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 U++++ + 1.0000 I- = UI+++
- -llnl_gamma 5.0
- log_k +1.2151
- -delta_H 0 # Not possible to calculate enthalpy of reaction UI+3
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 U++++ + 1.0000 NO3- = UNO3+++
- -llnl_gamma 5.0
- log_k +1.4506
- -delta_H 0 # Not possible to calculate enthalpy of reaction UNO3+3
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HCO3- + 1.0000 UO2++ = UO2(CO3)2-- +2.0000 H+
- -llnl_gamma 4.0
- log_k -3.7467
- -delta_H 47.9065 kJ/mol # Calculated enthalpy of reaction UO2(CO3)2-2
-# Enthalpy of formation: -2350.96 kJ/mol
- -analytic 2.6569e+002 8.1552e-002 -9.0918e+003 -1.0638e+002 -1.4195e+002
-# -Range: 0-300
-
-3.0000 HCO3- + 1.0000 UO2+ = UO2(CO3)3-5 +3.0000 H+
- -llnl_gamma 4.0
- log_k -23.6241
- -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(CO3)3-5
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 HCO3- + 1.0000 UO2++ = UO2(CO3)3---- +3.0000 H+
- -llnl_gamma 4.0
- log_k -9.4302
- -delta_H 4.9107 kJ/mol # Calculated enthalpy of reaction UO2(CO3)3-4
-# Enthalpy of formation: -3083.89 kJ/mol
- -analytic 3.7918e+002 1.1789e-001 -1.0233e+004 -1.5738e+002 -1.5978e+002
-# -Range: 0-300
-
-3.0000 H+ + 2.0000 HPO4-- + 1.0000 UO2++ = UO2(H2PO4)(H3PO4)+
- -llnl_gamma 4.0
- log_k +22.7537
- -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(H2PO4)(H3PO4)+
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 2.0000 H+ + 1.0000 UO2++ = UO2(H2PO4)2
- -llnl_gamma 3.0
- log_k +21.7437
- -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(H2PO4)2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 IO3- + 1.0000 UO2++ = UO2(IO3)2
- -llnl_gamma 3.0
- log_k +2.9969
- -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(IO3)2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 N3- + 1.0000 UO2++ = UO2(N3)2
- -llnl_gamma 3.0
- log_k +4.3301
- -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(N3)2
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 N3- + 1.0000 UO2++ = UO2(N3)3-
- -llnl_gamma 4.0
- log_k +5.7401
- -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(N3)3-
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 N3- + 1.0000 UO2++ = UO2(N3)4--
- -llnl_gamma 4.0
- log_k +4.9200
- -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(N3)4-2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H2O + 1.0000 UO2++ = UO2(OH)2 +2.0000 H+
- -llnl_gamma 3.0
- log_k -10.3146
- -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(OH)2
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 H2O + 1.0000 UO2++ = UO2(OH)3- +3.0000 H+
- -llnl_gamma 4.0
- log_k -19.2218
- -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(OH)3-
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 H2O + 1.0000 UO2++ = UO2(OH)4-- +4.0000 H+
- -llnl_gamma 4.0
- log_k -33.0291
- -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(OH)4-2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 Thiocyanate- + 1.0000 UO2++ = UO2(Thiocyanate)2
- -llnl_gamma 3.0
- log_k +1.2401
- -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(Thiocyanate)2
-# Enthalpy of formation: -857.3 kJ/mol
- -analytic 9.4216e+001 3.2840e-002 -2.4849e+003 -3.8162e+001 -4.2231e+001
-# -Range: 0-200
-
-3.0000 Thiocyanate- + 1.0000 UO2++ = UO2(Thiocyanate)3-
- -llnl_gamma 4.0
- log_k +2.1001
- -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(Thiocyanate)3-
-# Enthalpy of formation: -783.8 kJ/mol
- -analytic 1.6622e+001 2.2714e-002 4.9707e+002 -9.2785e+000 7.7512e+000
-# -Range: 0-300
-
-2.0000 SO3-- + 1.0000 UO2++ = UO2(SO3)2--
- -llnl_gamma 4.0
- log_k +7.9101
- -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(SO3)2-2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 SO4-- + 1.0000 UO2++ = UO2(SO4)2--
- -llnl_gamma 4.0
- log_k +3.9806
- -delta_H 35.6242 kJ/mol # Calculated enthalpy of reaction UO2(SO4)2-2
-# Enthalpy of formation: -2802.58 kJ/mol
- -analytic 3.9907e+002 1.3536e-001 -1.0813e+004 -1.6130e+002 -1.6884e+002
-# -Range: 0-300
-
-1.0000 UO2++ + 1.0000 Br- = UO2Br+
- -llnl_gamma 4.0
- log_k +0.1840
- -delta_H 0 # Not possible to calculate enthalpy of reaction UO2Br+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 UO2++ + 1.0000 BrO3- = UO2BrO3+
- -llnl_gamma 4.0
- log_k +0.5510
- -delta_H 0.46952 kJ/mol # Calculated enthalpy of reaction UO2BrO3+
-# Enthalpy of formation: -1085.6 kJ/mol
- -analytic 8.2618e+001 2.6921e-002 -2.0144e+003 -3.3673e+001 -3.1457e+001
-# -Range: 0-300
-
-1.0000 UO2++ + 1.0000 HCO3- = UO2CO3 +1.0000 H+
- -llnl_gamma 3.0
- log_k -0.6634
- -delta_H 19.7032 kJ/mol # Calculated enthalpy of reaction UO2CO3
-# Enthalpy of formation: -1689.23 kJ/mol
- -analytic 7.3898e+001 2.8127e-002 -2.4347e+003 -3.0217e+001 -4.1371e+001
-# -Range: 0-200
-
-1.0000 UO2++ + 1.0000 Cl- = UO2Cl+
- -llnl_gamma 4.0
- log_k +0.1572
- -delta_H 8.00167 kJ/mol # Calculated enthalpy of reaction UO2Cl+
-# Enthalpy of formation: -1178.08 kJ/mol
- -analytic 9.8139e+001 3.8869e-002 -2.3178e+003 -4.1133e+001 -3.6196e+001
-# -Range: 0-300
-
-2.0000 Cl- + 1.0000 UO2++ = UO2Cl2
- -llnl_gamma 3.0
- log_k -1.1253
- -delta_H 15.0013 kJ/mol # Calculated enthalpy of reaction UO2Cl2
-# Enthalpy of formation: -1338.16 kJ/mol
- -analytic 3.4087e+001 1.3840e-002 -1.3664e+003 -1.4043e+001 -2.3216e+001
-# -Range: 0-200
-
-1.0000 UO2++ + 1.0000 ClO3- = UO2ClO3+
- -llnl_gamma 4.0
- log_k +0.4919
- -delta_H -3.9266 kJ/mol # Calculated enthalpy of reaction UO2ClO3+
-# Enthalpy of formation: -1126.9 kJ/mol
- -analytic 9.6263e+001 2.8926e-002 -2.3068e+003 -3.9057e+001 -3.6025e+001
-# -Range: 0-300
-
-1.0000 UO2++ + 1.0000 F- = UO2F+
- -llnl_gamma 4.0
- log_k +5.0502
- -delta_H 1.6976 kJ/mol # Calculated enthalpy of reaction UO2F+
-# Enthalpy of formation: -1352.65 kJ/mol
- -analytic 1.1476e+002 4.0682e-002 -2.4467e+003 -4.5914e+001 -3.8212e+001
-# -Range: 0-300
-
-2.0000 F- + 1.0000 UO2++ = UO2F2
- -llnl_gamma 3.0
- log_k +8.5403
- -delta_H 2.0962 kJ/mol # Calculated enthalpy of reaction UO2F2
-# Enthalpy of formation: -1687.6 kJ/mol
- -analytic 2.7673e+002 9.9190e-002 -5.8371e+003 -1.1242e+002 -9.9219e+001
-# -Range: 0-200
-
-3.0000 F- + 1.0000 UO2++ = UO2F3-
- -llnl_gamma 4.0
- log_k +10.7806
- -delta_H 2.3428 kJ/mol # Calculated enthalpy of reaction UO2F3-
-# Enthalpy of formation: -2022.7 kJ/mol
- -analytic 3.3383e+002 9.2160e-002 -8.7975e+003 -1.2972e+002 -1.3738e+002
-# -Range: 0-300
-
-4.0000 F- + 1.0000 UO2++ = UO2F4--
- -llnl_gamma 4.0
- log_k +11.5407
- -delta_H 0.2814 kJ/mol # Calculated enthalpy of reaction UO2F4-2
-# Enthalpy of formation: -2360.11 kJ/mol
- -analytic 4.4324e+002 1.3808e-001 -1.0705e+004 -1.7657e+002 -1.6718e+002
-# -Range: 0-300
-
-1.0000 UO2++ + 1.0000 HPO4-- + 1.0000 H+ = UO2H2PO4+
- -llnl_gamma 4.0
- log_k +11.6719
- -delta_H 0 # Not possible to calculate enthalpy of reaction UO2H2PO4+
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H+ + 1.0000 UO2++ + 1.0000 HPO4-- = UO2H3PO4++
- -llnl_gamma 4.5
- log_k +11.3119
- -delta_H 0 # Not possible to calculate enthalpy of reaction UO2H3PO4+2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 UO2++ + 1.0000 HPO4-- = UO2HPO4
- -llnl_gamma 3.0
- log_k +8.4398
- -delta_H 0 # Not possible to calculate enthalpy of reaction UO2HPO4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 UO2++ + 1.0000 IO3- = UO2IO3+
- -llnl_gamma 4.0
- log_k +1.7036
- -delta_H 11.4336 kJ/mol # Calculated enthalpy of reaction UO2IO3+
-# Enthalpy of formation: -1228.9 kJ/mol
- -analytic 1.0428e+002 2.9620e-002 -3.2441e+003 -4.0618e+001 -5.0651e+001
-# -Range: 0-300
-
-1.0000 UO2++ + 1.0000 N3- = UO2N3+
- -llnl_gamma 4.0
- log_k +2.5799
- -delta_H 0 # Not possible to calculate enthalpy of reaction UO2N3+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 UO2++ + 1.0000 NO3- = UO2NO3+
- -llnl_gamma 4.0
- log_k +0.2805
- -delta_H 0 # Not possible to calculate enthalpy of reaction UO2NO3+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 UO2++ + 1.0000 H2O = UO2OH+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -5.2073
- -delta_H 43.1813 kJ/mol # Calculated enthalpy of reaction UO2OH+
-# Enthalpy of formation: -1261.66 kJ/mol
- -analytic 3.4387e+001 6.0811e-003 -3.3068e+003 -1.2252e+001 -5.1609e+001
-# -Range: 0-300
-
-1.0000 UO2++ + 1.0000 HPO4-- = UO2PO4- +1.0000 H+
- -llnl_gamma 4.0
- log_k +2.0798
- -delta_H 0 # Not possible to calculate enthalpy of reaction UO2PO4-
-# Enthalpy of formation: -0 kcal/mol
-
-#2.0000 SO3-- + 2.0000 H+ + 1.0000 UO2++ = UO2S2O3 +1.0000 H2O +1.0000 O2
-#S2O3-- + O2 + H2O = 2.0000 H+ + 2.0000 SO3-- log_k 40.2906
-S2O3-- + UO2++ = UO2S2O3
- -llnl_gamma 3.0
-# log_k -38.0666
- log_k 2.224
- -delta_H 0 # Not possible to calculate enthalpy of reaction UO2S2O3
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 UO2++ + 1.0000 Thiocyanate- = UO2Thiocyanate+
- -llnl_gamma 4.0
- log_k +1.4000
- -delta_H 0 # Not possible to calculate enthalpy of reaction UO2Thiocyanate+
-# Enthalpy of formation: -939.38 kJ/mol
- -analytic 4.7033e+000 1.2562e-002 4.9095e+002 -3.5097e+000 7.6593e+000
-# -Range: 0-300
-
-1.0000 UO2++ + 1.0000 SO3-- = UO2SO3
- -llnl_gamma 3.0
- log_k +6.7532
- -delta_H 0 # Not possible to calculate enthalpy of reaction UO2SO3
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 UO2++ + 1.0000 SO4-- = UO2SO4
- -llnl_gamma 3.0
- log_k +3.0703
- -delta_H 19.7626 kJ/mol # Calculated enthalpy of reaction UO2SO4
-# Enthalpy of formation: -1908.84 kJ/mol
- -analytic 1.9514e+002 7.0951e-002 -4.9949e+003 -7.9394e+001 -8.4888e+001
-# -Range: 0-200
-
-1.0000 U++++ + 1.0000 H2O = UOH+++ +1.0000 H+
- -llnl_gamma 5.0
- log_k -0.5472
- -delta_H 46.9183 kJ/mol # Calculated enthalpy of reaction UOH+3
-# Enthalpy of formation: -830.12 kJ/mol
- -analytic 4.0793e+001 1.3563e-003 -3.8441e+003 -1.1659e+001 -5.9996e+001
-# -Range: 0-300
-
-1.0000 U++++ + 1.0000 Thiocyanate- = UThiocyanate+++
- -llnl_gamma 5.0
- log_k +2.9700
- -delta_H 0 # Not possible to calculate enthalpy of reaction UThiocyanate+3
-# Enthalpy of formation: -541.8 kJ/mol
- -analytic 4.0286e-001 1.5909e-002 2.3026e+003 -3.9973e+000 3.5929e+001
-# -Range: 0-300
-
-1.0000 U++++ + 1.0000 SO4-- = USO4++
- -llnl_gamma 4.5
- log_k +6.5003
- -delta_H 8.2616 kJ/mol # Calculated enthalpy of reaction USO4+2
-# Enthalpy of formation: -1492.54 kJ/mol
- -analytic 1.9418e+002 7.5458e-002 -4.0646e+003 -7.9416e+001 -6.3482e+001
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 V+++ = V(OH)2+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -5.9193
- -delta_H 0 # Not possible to calculate enthalpy of reaction V(OH)2+
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 V+++ + 2.0000 H2O = V2(OH)2++++ +2.0000 H+
- -llnl_gamma 5.5
- log_k -3.8
- -delta_H 0 # Not possible to calculate enthalpy of reaction V2(OH)2+4
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H2O + 1.0000 VO2+ = VO(OH)3 +1.0000 H+
- -llnl_gamma 3.0
- log_k -3.3
- -delta_H 0 # Not possible to calculate enthalpy of reaction VO(OH)3
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 VO2+ = VO2(HPO4)2---
- -llnl_gamma 4.0
- log_k +8.6000
- -delta_H 0 # Not possible to calculate enthalpy of reaction VO2(HPO4)2-3
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H2O + 1.0000 VO2+ = VO2(OH)2- +2.0000 H+
- -llnl_gamma 4.0
- log_k -7.3
- -delta_H 0 # Not possible to calculate enthalpy of reaction VO2(OH)2-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 VO2+ + 1.0000 F- = VO2F
- -llnl_gamma 3.0
- log_k +3.3500
- -delta_H 0 # Not possible to calculate enthalpy of reaction VO2F
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 F- + 1.0000 VO2+ = VO2F2-
- -llnl_gamma 4.0
- log_k +5.8100
- -delta_H 0 # Not possible to calculate enthalpy of reaction VO2F2-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 VO2+ + 1.0000 HPO4-- + 1.0000 H+ = VO2H2PO4
- -llnl_gamma 3.0
- log_k +1.6800
- -delta_H 0 # Not possible to calculate enthalpy of reaction VO2H2PO4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 VO2+ + 1.0000 HPO4-- = VO2HPO4-
- -llnl_gamma 4.0
- log_k +5.8300
- -delta_H 0 # Not possible to calculate enthalpy of reaction VO2HPO4-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 VO2+ + 1.0000 SO4-- = VO2SO4-
- -llnl_gamma 4.0
- log_k +1.5800
- -delta_H 0 # Not possible to calculate enthalpy of reaction VO2SO4-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 VO4--- + 1.0000 H+ = VO3OH--
- -llnl_gamma 4.0
- log_k +14.2600
- -delta_H 0 # Not possible to calculate enthalpy of reaction VO3OH-2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 VO++ + 1.0000 F- = VOF+
- -llnl_gamma 4.0
- log_k +4.0000
- -delta_H 0 # Not possible to calculate enthalpy of reaction VOF+
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 F- + 1.0000 VO++ = VOF2
- -llnl_gamma 3.0
- log_k +6.7800
- -delta_H 0 # Not possible to calculate enthalpy of reaction VOF2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 V+++ + 1.0000 H2O = VOH++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -2.26
- -delta_H 0 # Not possible to calculate enthalpy of reaction VOH+2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 VO++ + 1.0000 H2O = VOOH+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -5.67
- -delta_H 0 # Not possible to calculate enthalpy of reaction VOOH+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 VO++ + 1.0000 SO4-- = VOSO4
- -llnl_gamma 3.0
- log_k +2.4800
- -delta_H 0 # Not possible to calculate enthalpy of reaction VOSO4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 V+++ + 1.0000 SO4-- = VSO4+
- -llnl_gamma 4.0
- log_k +3.3300
- -delta_H 0 # Not possible to calculate enthalpy of reaction VSO4+
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HAcetate + 1.0000 Y+++ = Y(Acetate)2+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -4.9844
- -delta_H -34.8109 kJ/mol # Calculated enthalpy of reaction Y(Acetate)2+
-# Enthalpy of formation: -411.42 kcal/mol
- -analytic -3.3011e+001 6.1979e-004 -7.7468e+002 9.6380e+000 5.8814e+005
-# -Range: 0-300
-
-3.0000 HAcetate + 1.0000 Y+++ = Y(Acetate)3 +3.0000 H+
- -llnl_gamma 3.0
- log_k -8.3783
- -delta_H -58.4505 kJ/mol # Calculated enthalpy of reaction Y(Acetate)3
-# Enthalpy of formation: -533.17 kcal/mol
- -analytic -3.0086e+001 4.0213e-003 -1.1444e+003 6.1794e+000 8.0827e+005
-# -Range: 0-300
-
-2.0000 HCO3- + 1.0000 Y+++ = Y(CO3)2- +2.0000 H+
- -llnl_gamma 4.0
- log_k -7.3576
- -delta_H 0 # Not possible to calculate enthalpy of reaction Y(CO3)2-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Y+++ = Y(HPO4)2-
- -llnl_gamma 4.0
- log_k +9.9000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Y(HPO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H2O + 1.0000 Y+++ = Y(OH)2+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -16.3902
- -delta_H 0 # Not possible to calculate enthalpy of reaction Y(OH)2+
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 H2O + 1.0000 Y+++ = Y(OH)3 +3.0000 H+
- -llnl_gamma 3.0
- log_k -25.9852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Y(OH)3
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 H2O + 1.0000 Y+++ = Y(OH)4- +4.0000 H+
- -llnl_gamma 4.0
- log_k -36.4803
- -delta_H 0 # Not possible to calculate enthalpy of reaction Y(OH)4-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Y+++ = Y(PO4)2--- +2.0000 H+
- -llnl_gamma 4.0
- log_k -3.2437
- -delta_H 0 # Not possible to calculate enthalpy of reaction Y(PO4)2-3
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 SO4-- + 1.0000 Y+++ = Y(SO4)2-
- -llnl_gamma 4.0
- log_k +4.9000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Y(SO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 Y+++ + 2.0000 H2O = Y2(OH)2++++ +2.0000 H+
- -llnl_gamma 5.5
- log_k -14.1902
- -delta_H 0 # Not possible to calculate enthalpy of reaction Y2(OH)2+4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Y+++ + 1.0000 HAcetate = YAcetate++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -2.1184
- -delta_H -17.2799 kJ/mol # Calculated enthalpy of reaction YAcetate+2
-# Enthalpy of formation: -291.13 kcal/mol
- -analytic -1.2080e+001 1.2015e-003 -8.4186e+002 3.4522e+000 3.4647e+005
-# -Range: 0-300
-
-1.0000 Y+++ + 1.0000 HCO3- = YCO3+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -2.2788
- -delta_H 0 # Not possible to calculate enthalpy of reaction YCO3+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Y+++ + 1.0000 Cl- = YCl++
- -llnl_gamma 4.5
- log_k +0.3000
- -delta_H 0 # Not possible to calculate enthalpy of reaction YCl+2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Y+++ + 1.0000 F- = YF++
- -llnl_gamma 4.5
- log_k +4.3000
- -delta_H 0 # Not possible to calculate enthalpy of reaction YF+2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 F- + 1.0000 Y+++ = YF2+
- -llnl_gamma 4.0
- log_k +7.8000
- -delta_H 0 # Not possible to calculate enthalpy of reaction YF2+
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 F- + 1.0000 Y+++ = YF3
- -llnl_gamma 3.0
- log_k +11.2000
- -delta_H 0 # Not possible to calculate enthalpy of reaction YF3
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Y+++ + 1.0000 HPO4-- + 1.0000 H+ = YH2PO4++
- -llnl_gamma 4.5
- log_k +9.6054
- -delta_H 0 # Not possible to calculate enthalpy of reaction YH2PO4+2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Y+++ + 1.0000 HCO3- = YHCO3++
- -llnl_gamma 4.5
- log_k +2.3000
- -delta_H 0 # Not possible to calculate enthalpy of reaction YHCO3+2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Y+++ + 1.0000 HPO4-- = YHPO4+
- -llnl_gamma 4.0
- log_k +5.9000
- -delta_H 0 # Not possible to calculate enthalpy of reaction YHPO4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Y+++ + 1.0000 NO3- = YNO3++
- -llnl_gamma 4.5
- log_k +0.4000
- -delta_H 0 # Not possible to calculate enthalpy of reaction YNO3+2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Y+++ + 1.0000 H2O = YOH++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -7.6951
- -delta_H 0 # Not possible to calculate enthalpy of reaction YOH+2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Y+++ + 1.0000 HPO4-- = YPO4 +1.0000 H+
- -llnl_gamma 3.0
- log_k +0.2782
- -delta_H 0 # Not possible to calculate enthalpy of reaction YPO4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Y+++ + 1.0000 SO4-- = YSO4+
- -llnl_gamma 4.0
- log_k +3.4000
- -delta_H 0 # Not possible to calculate enthalpy of reaction YSO4+
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HAcetate + 1.0000 Yb+++ = Yb(Acetate)2+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -5.131
- -delta_H -30.334 kJ/mol # Calculated enthalpy of reaction Yb(Acetate)2+
-# Enthalpy of formation: -399.75 kcal/mol
- -analytic -3.4286e+001 9.4069e-004 -6.5120e+002 1.0071e+001 5.4773e+005
-# -Range: 0-300
-
-3.0000 HAcetate + 1.0000 Yb+++ = Yb(Acetate)3 +3.0000 H+
- -llnl_gamma 3.0
- log_k -8.5688
- -delta_H -51.4214 kJ/mol # Calculated enthalpy of reaction Yb(Acetate)3
-# Enthalpy of formation: -520.89 kcal/mol
- -analytic -6.2211e+001 -6.1589e-004 5.9577e+002 1.7954e+001 6.6116e+005
-# -Range: 0-300
-
-2.0000 HCO3- + 1.0000 Yb+++ = Yb(CO3)2- +2.0000 H+
- -llnl_gamma 4.0
- log_k -7.0576
- -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(CO3)2-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Yb+++ = Yb(HPO4)2-
- -llnl_gamma 4.0
- log_k +10.2000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(HPO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-# Redundant with YbO2-
-#4.0000 H2O + 1.0000 Yb+++ = Yb(OH)4- +4.0000 H+
-# -llnl_gamma 4.0
-# log_k -32.6803
-# -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(OH)4-
-## Enthalpy of formation: -0 kcal/mol
-
-2.0000 HPO4-- + 1.0000 Yb+++ = Yb(PO4)2--- +2.0000 H+
- -llnl_gamma 4.0
- log_k -2.7437
- -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(PO4)2-3
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 SO4-- + 1.0000 Yb+++ = Yb(SO4)2-
- -llnl_gamma 4.0
- log_k +5.1000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(SO4)2-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Yb+++ + 1.0000 HAcetate = YbAcetate++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -2.199
- -delta_H -15.2298 kJ/mol # Calculated enthalpy of reaction YbAcetate+2
-# Enthalpy of formation: -280.04 kcal/mol
- -analytic -8.5003e+000 2.2459e-003 -9.6434e+002 2.0630e+000 3.3550e+005
-# -Range: 0-300
-
-1.0000 Yb+++ + 1.0000 HCO3- = YbCO3+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -2.0392
- -delta_H 82.8348 kJ/mol # Calculated enthalpy of reaction YbCO3+
-# Enthalpy of formation: -305.4 kcal/mol
- -analytic 2.3533e+002 5.4436e-002 -6.7871e+003 -9.3280e+001 -1.0598e+002
-# -Range: 0-300
-
-1.0000 Yb+++ + 1.0000 Cl- = YbCl++
- -llnl_gamma 4.5
- log_k +0.1620
- -delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction YbCl+2
-# Enthalpy of formation: -196.9 kcal/mol
- -analytic 8.0452e+001 3.8343e-002 -1.8176e+003 -3.4594e+001 -2.8386e+001
-# -Range: 0-300
-
-2.0000 Cl- + 1.0000 Yb+++ = YbCl2+
- -llnl_gamma 4.0
- log_k -0.2624
- -delta_H 17.4305 kJ/mol # Calculated enthalpy of reaction YbCl2+
-# Enthalpy of formation: -236 kcal/mol
- -analytic 2.1708e+002 8.0550e-002 -5.4744e+003 -9.0101e+001 -8.5487e+001
-# -Range: 0-300
-
-3.0000 Cl- + 1.0000 Yb+++ = YbCl3
- -llnl_gamma 3.0
- log_k -0.7601
- -delta_H 8.36382 kJ/mol # Calculated enthalpy of reaction YbCl3
-# Enthalpy of formation: -278.1 kcal/mol
- -analytic 4.0887e+002 1.2992e-001 -1.0578e+004 -1.6684e+002 -1.6518e+002
-# -Range: 0-300
-
-4.0000 Cl- + 1.0000 Yb+++ = YbCl4-
- -llnl_gamma 4.0
- log_k -1.1845
- -delta_H -15.7653 kJ/mol # Calculated enthalpy of reaction YbCl4-
-# Enthalpy of formation: -323.8 kcal/mol
- -analytic 4.7560e+002 1.3032e-001 -1.2452e+004 -1.9149e+002 -1.9444e+002
-# -Range: 0-300
-
-1.0000 Yb+++ + 1.0000 F- = YbF++
- -llnl_gamma 4.5
- log_k +4.8085
- -delta_H 23.2212 kJ/mol # Calculated enthalpy of reaction YbF+2
-# Enthalpy of formation: -234.9 kcal/mol
- -analytic 1.0291e+002 4.2493e-002 -2.7637e+003 -4.1008e+001 -4.3156e+001
-# -Range: 0-300
-
-2.0000 F- + 1.0000 Yb+++ = YbF2+
- -llnl_gamma 4.0
- log_k +8.3709
- -delta_H 12.1336 kJ/mol # Calculated enthalpy of reaction YbF2+
-# Enthalpy of formation: -317.7 kcal/mol
- -analytic 2.4281e+002 8.5385e-002 -5.6900e+003 -9.7299e+001 -8.8859e+001
-# -Range: 0-300
-
-3.0000 F- + 1.0000 Yb+++ = YbF3
- -llnl_gamma 3.0
- log_k +11.0537
- -delta_H -13.1796 kJ/mol # Calculated enthalpy of reaction YbF3
-# Enthalpy of formation: -403.9 kcal/mol
- -analytic 4.5227e+002 1.3659e-001 -1.0595e+004 -1.8038e+002 -1.6546e+002
-# -Range: 0-300
-
-4.0000 F- + 1.0000 Yb+++ = YbF4-
- -llnl_gamma 4.0
- log_k +13.2234
- -delta_H -60.2496 kJ/mol # Calculated enthalpy of reaction YbF4-
-# Enthalpy of formation: -495.3 kcal/mol
- -analytic 5.0369e+002 1.3726e-001 -1.0671e+004 -2.0026e+002 -1.6666e+002
-# -Range: 0-300
-
-1.0000 Yb+++ + 1.0000 HPO4-- + 1.0000 H+ = YbH2PO4++
- -llnl_gamma 4.5
- log_k +9.5217
- -delta_H -20.0204 kJ/mol # Calculated enthalpy of reaction YbH2PO4+2
-# Enthalpy of formation: -473.9 kcal/mol
- -analytic 1.0919e+002 6.3749e-002 3.8909e+002 -4.8469e+001 6.0389e+000
-# -Range: 0-300
-
-1.0000 Yb+++ + 1.0000 HCO3- = YbHCO3++
- -llnl_gamma 4.5
- log_k +1.8398
- -delta_H 5.43083 kJ/mol # Calculated enthalpy of reaction YbHCO3+2
-# Enthalpy of formation: -323.9 kcal/mol
- -analytic 3.9175e+001 3.1796e-002 6.9728e+001 -1.9002e+001 1.0762e+000
-# -Range: 0-300
-
-1.0000 Yb+++ + 1.0000 HPO4-- = YbHPO4+
- -llnl_gamma 4.0
- log_k +6.0000
- -delta_H 0 # Not possible to calculate enthalpy of reaction YbHPO4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Yb+++ + 1.0000 NO3- = YbNO3++
- -llnl_gamma 4.5
- log_k +0.2148
- -delta_H -32.9323 kJ/mol # Calculated enthalpy of reaction YbNO3+2
-# Enthalpy of formation: -217.6 kcal/mol
- -analytic 1.7237e+001 2.5684e-002 2.2806e+003 -1.3055e+001 3.5581e+001
-# -Range: 0-300
-
-1.0000 Yb+++ + 1.0000 H2O = YbO+ +2.0000 H+
- -llnl_gamma 4.0
- log_k -15.7506
- -delta_H 105.508 kJ/mol # Calculated enthalpy of reaction YbO+
-# Enthalpy of formation: -203.4 kcal/mol
- -analytic 1.7675e+002 2.9078e-002 -1.3106e+004 -6.3534e+001 -2.0456e+002
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Yb+++ = YbO2- +4.0000 H+
- -llnl_gamma 4.0
- log_k -32.6741
- -delta_H 267.918 kJ/mol # Calculated enthalpy of reaction YbO2-
-# Enthalpy of formation: -232.9 kcal/mol
- -analytic 1.5529e+002 1.0053e-002 -1.8749e+004 -5.1764e+001 -2.9260e+002
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Yb+++ = YbO2H +3.0000 H+
- -llnl_gamma 3.0
- log_k -23.878
- -delta_H 211.016 kJ/mol # Calculated enthalpy of reaction YbO2H
-# Enthalpy of formation: -246.5 kcal/mol
- -analytic 3.2148e+002 4.4821e-002 -2.1971e+004 -1.1519e+002 -3.4293e+002
-# -Range: 0-300
-
-1.0000 Yb+++ + 1.0000 H2O = YbOH++ +1.0000 H+
- -llnl_gamma 4.5
- log_k -7.6143
- -delta_H 74.9647 kJ/mol # Calculated enthalpy of reaction YbOH+2
-# Enthalpy of formation: -210.7 kcal/mol
- -analytic 5.8142e+001 1.1402e-002 -5.6488e+003 -2.0289e+001 -8.8160e+001
-# -Range: 0-300
-
-1.0000 Yb+++ + 1.0000 HPO4-- = YbPO4 +1.0000 H+
- -llnl_gamma 3.0
- log_k +0.5782
- -delta_H 0 # Not possible to calculate enthalpy of reaction YbPO4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Yb+++ + 1.0000 SO4-- = YbSO4+
- -llnl_gamma 4.0
- log_k +3.5697
- -delta_H 1424.65 kJ/mol # Calculated enthalpy of reaction YbSO4+
-# Enthalpy of formation: -37.2 kcal/mol
- -analytic 3.0675e+002 8.6527e-002 -9.0298e+003 -1.2069e+002 -1.4099e+002
-# -Range: 0-300
-
-2.0000 HAcetate + 1.0000 Zn++ = Zn(Acetate)2 +2.0000 H+
- -llnl_gamma 3.0
- log_k -6.062
- -delta_H -11.0458 kJ/mol # Calculated enthalpy of reaction Zn(Acetate)2
-# Enthalpy of formation: -271.5 kcal/mol
- -analytic -2.2038e+001 2.6133e-003 -2.7652e+003 6.8501e+000 6.7086e+005
-# -Range: 0-300
-
-3.0000 HAcetate + 1.0000 Zn++ = Zn(Acetate)3- +3.0000 H+
- -llnl_gamma 4.0
- log_k -10.0715
- -delta_H 25.355 kJ/mol # Calculated enthalpy of reaction Zn(Acetate)3-
-# Enthalpy of formation: -378.9 kcal/mol
- -analytic 3.5104e+001 -6.1568e-003 -1.3379e+004 -8.7697e+000 2.0670e+006
-# -Range: 0-300
-
-4.0000 Cyanide- + 1.0000 Zn++ = Zn(Cyanide)4--
- -llnl_gamma 4.0
- log_k +16.7040
- -delta_H -107.305 kJ/mol # Calculated enthalpy of reaction Zn(Cyanide)4-2
-# Enthalpy of formation: 341.806 kJ/mol
- -analytic 3.6586e+002 1.2655e-001 -2.9546e+003 -1.5232e+002 -4.6213e+001
-# -Range: 0-300
-
-2.0000 N3- + 1.0000 Zn++ = Zn(N3)2
- -llnl_gamma 3.0
- log_k +1.1954
- -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(N3)2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Zn++ + 1.0000 NH3 = Zn(NH3)++
- -llnl_gamma 4.5
- log_k +2.0527
- -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(NH3)+2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 NH3 + 1.0000 Zn++ = Zn(NH3)2++
- -llnl_gamma 4.5
- log_k +4.2590
- -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(NH3)2+2
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 NH3 + 1.0000 Zn++ = Zn(NH3)3++
- -llnl_gamma 4.5
- log_k +6.4653
- -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(NH3)3+2
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 NH3 + 1.0000 Zn++ = Zn(NH3)4++
- -llnl_gamma 4.5
- log_k +8.3738
- -delta_H -54.9027 kJ/mol # Calculated enthalpy of reaction Zn(NH3)4+2
-# Enthalpy of formation: -533.636 kJ/mol
- -analytic 1.5851e+002 -6.3376e-003 -4.6783e+003 -5.3560e+001 -7.3047e+001
-# -Range: 0-300
-
-2.0000 H2O + 1.0000 Zn++ = Zn(OH)2 +2.0000 H+
- -llnl_gamma 3.0
- log_k -17.3282
- -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)2
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 H2O + 1.0000 Zn++ = Zn(OH)3- +3.0000 H+
- -llnl_gamma 4.0
- log_k -28.8369
- -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)3-
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 H2O + 1.0000 Zn++ = Zn(OH)4-- +4.0000 H+
- -llnl_gamma 4.0
- log_k -41.6052
- -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)4-2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Zn++ + 1.0000 H2O + 1.0000 Cl- = Zn(OH)Cl +1.0000 H+
- -llnl_gamma 3.0
- log_k -7.5417
- -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)Cl
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 Thiocyanate- + 1.0000 Zn++ = Zn(Thiocyanate)2
- -llnl_gamma 3.0
- log_k +0.8800
- -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(Thiocyanate)2
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 Thiocyanate- + 1.0000 Zn++ = Zn(Thiocyanate)4--
- -llnl_gamma 4.0
- log_k +1.2479
- -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(Thiocyanate)4-2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Zn++ + 1.0000 Br- = ZnBr+
- -llnl_gamma 4.0
- log_k -0.6365
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZnBr+
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 Br- + 1.0000 Zn++ = ZnBr2
- -llnl_gamma 3.0
- log_k -1.0492
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZnBr2
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 Br- + 1.0000 Zn++ = ZnBr3-
- -llnl_gamma 4.0
- log_k -1.8474
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZnBr3-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Zn++ + 1.0000 HAcetate = ZnAcetate+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -3.1519
- -delta_H -9.87424 kJ/mol # Calculated enthalpy of reaction ZnAcetate+
-# Enthalpy of formation: -155.12 kcal/mol
- -analytic -7.9367e+000 2.8564e-003 -1.4514e+003 2.5010e+000 2.3343e+005
-# -Range: 0-300
-
-1.0000 Zn++ + 1.0000 HCO3- = ZnCO3 +1.0000 H+
- -llnl_gamma 3.0
- log_k -6.4288
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZnCO3
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Zn++ + 1.0000 Cl- = ZnCl+
- -llnl_gamma 4.0
- log_k +0.1986
- -delta_H 43.317 kJ/mol # Calculated enthalpy of reaction ZnCl+
-# Enthalpy of formation: -66.24 kcal/mol
- -analytic 1.1235e+002 4.4461e-002 -4.1662e+003 -4.5023e+001 -6.5042e+001
-# -Range: 0-300
-
-2.0000 Cl- + 1.0000 Zn++ = ZnCl2
- -llnl_gamma 3.0
- log_k +0.2507
- -delta_H 31.1541 kJ/mol # Calculated enthalpy of reaction ZnCl2
-# Enthalpy of formation: -109.08 kcal/mol
- -analytic 1.7824e+002 7.5733e-002 -4.6251e+003 -7.4770e+001 -7.2224e+001
-# -Range: 0-300
-
-3.0000 Cl- + 1.0000 Zn++ = ZnCl3-
- -llnl_gamma 4.0
- log_k -0.0198
- -delta_H 22.5894 kJ/mol # Calculated enthalpy of reaction ZnCl3-
-# Enthalpy of formation: -151.06 kcal/mol
- -analytic 1.3889e+002 7.4712e-002 -2.1527e+003 -6.2200e+001 -3.3633e+001
-# -Range: 0-300
-
-4.0000 Cl- + 1.0000 Zn++ = ZnCl4--
- -llnl_gamma 4.0
- log_k +0.8605
- -delta_H 4.98733 kJ/mol # Calculated enthalpy of reaction ZnCl4-2
-# Enthalpy of formation: -195.2 kcal/mol
- -analytic 8.4294e+001 7.0021e-002 3.9150e+002 -4.2664e+001 6.0834e+000
-# -Range: 0-300
-
-1.0000 Zn++ + 1.0000 ClO4- = ZnClO4+
- -llnl_gamma 4.0
- log_k +1.2768
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZnClO4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Zn++ + 1.0000 F- = ZnF+
- -llnl_gamma 4.0
- log_k +1.1500
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZnF+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Zn++ + 1.0000 HPO4-- + 1.0000 H+ = ZnH2PO4+
- -llnl_gamma 4.0
- log_k +0.4300
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZnH2PO4+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Zn++ + 1.0000 HCO3- = ZnHCO3+
- -llnl_gamma 4.0
- log_k +1.4200
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZnHCO3+
-# Enthalpy of formation: -0 kcal/mol
- -analytic 5.1115e+002 1.2911e-001 -1.5292e+004 -2.0083e+002 -2.2721e+002
-# -Range: 25-300
-
-1.0000 Zn++ + 1.0000 HPO4-- = ZnHPO4
- -llnl_gamma 3.0
- log_k +3.2600
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZnHPO4
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Zn++ + 1.0000 I- = ZnI+
- -llnl_gamma 4.0
- log_k -3.0134
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZnI+
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 I- + 1.0000 Zn++ = ZnI2
- -llnl_gamma 3.0
- log_k -1.8437
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZnI2
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 I- + 1.0000 Zn++ = ZnI3-
- -llnl_gamma 4.0
- log_k -2.0054
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZnI3-
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 I- + 1.0000 Zn++ = ZnI4--
- -llnl_gamma 4.0
- log_k -2.6052
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZnI4-2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Zn++ + 1.0000 N3- = ZnN3+
- -llnl_gamma 4.0
- log_k +0.4420
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZnN3+
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Zn++ + 1.0000 H2O = ZnOH+ +1.0000 H+
- -llnl_gamma 4.0
- log_k -8.96
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZnOH+
-# Enthalpy of formation: -0 kcal/mol
- -analytic -7.8600e-001 -2.9499e-004 -2.8673e+003 6.1892e-001 -4.2576e+001
-# -Range: 25-300
-
-1.0000 Zn++ + 1.0000 HPO4-- = ZnPO4- +1.0000 H+
- -llnl_gamma 4.0
- log_k -4.3018
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZnPO4-
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Zn++ + 1.0000 SO4-- = ZnSO4
- -llnl_gamma 3.0
- log_k +2.3062
- -delta_H 15.277 kJ/mol # Calculated enthalpy of reaction ZnSO4
-# Enthalpy of formation: -1047.71 kJ/mol
- -analytic 1.3640e+002 5.1256e-002 -3.4422e+003 -5.5695e+001 -5.8501e+001
-# -Range: 0-200
-
-1.0000 Zn++ + 1.0000 SeO4-- = ZnSeO4
- -llnl_gamma 3.0
- log_k +2.1900
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZnSeO4
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 H2O + 1.0000 Zr++++ = Zr(OH)3+ +3.0000 H+
- -llnl_gamma 4.0
- log_k -0.6693
- -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(OH)3+
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 H2O + 1.0000 Zr++++ = Zr(OH)4 +4.0000 H+
- -llnl_gamma 3.0
- log_k -1.4666
- -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(OH)4
-# Enthalpy of formation: -0 kcal/mol
-
-5.0000 H2O + 1.0000 Zr++++ = Zr(OH)5- +5.0000 H+
- -llnl_gamma 4.0
- log_k -15.9754
- -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(OH)5-
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 SO4-- + 1.0000 Zr++++ = Zr(SO4)2
- -llnl_gamma 3.0
- log_k +6.2965
- -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(SO4)2
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 SO4-- + 1.0000 Zr++++ = Zr(SO4)3--
- -llnl_gamma 4.0
- log_k +7.3007
- -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(SO4)3-2
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 H2O + 3.0000 Zr++++ = Zr3(OH)4+8 +4.0000 H+
- -llnl_gamma 6.0
- log_k -0.5803
- -delta_H 0 # Not possible to calculate enthalpy of reaction Zr3(OH)4+8
-# Enthalpy of formation: -0 kcal/mol
-
-8.0000 H2O + 4.0000 Zr++++ = Zr4(OH)8+8 +8.0000 H+
- -llnl_gamma 6.0
- log_k -5.9606
- -delta_H 0 # Not possible to calculate enthalpy of reaction Zr4(OH)8+8
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Zr++++ + 1.0000 F- = ZrF+++
- -llnl_gamma 5.0
- log_k +8.5835
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF+3
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 F- + 1.0000 Zr++++ = ZrF2++
- -llnl_gamma 4.5
- log_k +15.7377
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF2+2
-# Enthalpy of formation: -0 kcal/mol
-
-3.0000 F- + 1.0000 Zr++++ = ZrF3+
- -llnl_gamma 4.0
- log_k +21.2792
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF3+
-# Enthalpy of formation: -0 kcal/mol
-
-4.0000 F- + 1.0000 Zr++++ = ZrF4
- -llnl_gamma 3.0
- log_k +25.9411
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF4
-# Enthalpy of formation: -0 kcal/mol
-
-5.0000 F- + 1.0000 Zr++++ = ZrF5-
- -llnl_gamma 4.0
- log_k +30.3098
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF5-
-# Enthalpy of formation: -0 kcal/mol
-
-6.0000 F- + 1.0000 Zr++++ = ZrF6--
- -llnl_gamma 4.0
- log_k +34.0188
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF6-2
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Zr++++ + 1.0000 H2O = ZrOH+++ +1.0000 H+
- -llnl_gamma 5.0
- log_k +0.0457
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZrOH+3
-# Enthalpy of formation: -0 kcal/mol
-
-1.0000 Zr++++ + 1.0000 SO4-- = ZrSO4++
- -llnl_gamma 4.5
- log_k +3.6064
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZrSO4+2
-# Enthalpy of formation: -0 kcal/mol
-
-2.0000 H+ + 1.0000 O_phthalate-2 = H2O_phthalate
- -llnl_gamma 3.0
- log_k +8.3580
- -delta_H 0 # Not possible to calculate enthalpy of reaction H2O_phthalate
-# Enthalpy of formation: -0 kcal/mol
-
-PHASES
-
-# 1122 minerals
-(UO2)2As2O7
- (UO2)2As2O7 +2.0000 H+ +1.0000 H2O = + 2.0000 H2AsO4- + 2.0000 UO2++
- log_k 7.7066
- -delta_H -145.281 kJ/mol # Calculated enthalpy of reaction (UO2)2As2O7
-# Enthalpy of formation: -3426 kJ/mol
- -analytic -1.6147e+002 -6.3487e-002 1.0052e+004 6.2384e+001 1.5691e+002
-# -Range: 0-300
-
-(UO2)2Cl3
- (UO2)2Cl3 = + 1.0000 UO2+ + 1.0000 UO2++ + 3.0000 Cl-
- log_k 12.7339
- -delta_H -140.866 kJ/mol # Calculated enthalpy of reaction (UO2)2Cl3
-# Enthalpy of formation: -2404.5 kJ/mol
- -analytic -2.3895e+002 -9.2925e-002 1.1722e+004 9.6999e+001 1.8298e+002
-# -Range: 0-300
-
-(UO2)2P2O7
- (UO2)2P2O7 +1.0000 H2O = + 2.0000 HPO4-- + 2.0000 UO2++
- log_k -14.6827
- -delta_H -103.726 kJ/mol # Calculated enthalpy of reaction (UO2)2P2O7
-# Enthalpy of formation: -4232.6 kJ/mol
- -analytic -3.4581e+002 -1.3987e-001 1.0703e+004 1.3613e+002 1.6712e+002
-# -Range: 0-300
-
-(UO2)3(AsO4)2
- (UO2)3(AsO4)2 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 UO2++
- log_k 9.3177
- -delta_H -186.72 kJ/mol # Calculated enthalpy of reaction (UO2)3(AsO4)2
-# Enthalpy of formation: -4689.4 kJ/mol
- -analytic -1.9693e+002 -7.3236e-002 1.2936e+004 7.4631e+001 2.0192e+002
-# -Range: 0-300
-
-(UO2)3(PO4)2
- (UO2)3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 UO2++
- log_k -14.0241
- -delta_H -149.864 kJ/mol # Calculated enthalpy of reaction (UO2)3(PO4)2
-# Enthalpy of formation: -5491.3 kJ/mol
- -analytic -3.6664e+002 -1.4347e-001 1.3486e+004 1.4148e+002 2.1054e+002
-# -Range: 0-300
-
-(UO2)3(PO4)2:4H2O
- (UO2)3(PO4)2:4H2O +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 UO2++ + 4.0000 H2O
- log_k -27.0349
- -delta_H -45.4132 kJ/mol # Calculated enthalpy of reaction (UO2)3(PO4)2:4H2O
-# Enthalpy of formation: -6739.1 kJ/mol
- -analytic -1.5721e+002 -4.1375e-002 5.2046e+003 5.0531e+001 8.8434e+001
-# -Range: 0-200
-
-(VO)3(PO4)2
- (VO)3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 VO++
- log_k 48.7864
- -delta_H 0 # Not possible to calculate enthalpy of reaction (VO)3(PO4)2
-# Enthalpy of formation: 0 kcal/mol
-
-Acanthite
- Ag2S +1.0000 H+ = + 1.0000 HS- + 2.0000 Ag+
- log_k -36.0346
- -delta_H 226.982 kJ/mol # Calculated enthalpy of reaction Acanthite
-# Enthalpy of formation: -7.55 kcal/mol
- -analytic -1.6067e+002 -4.7139e-002 -7.4522e+003 6.6140e+001 -1.1624e+002
-# -Range: 0-300
-
-Afwillite
- Ca3Si2O4(OH)6 +6.0000 H+ = + 2.0000 SiO2 + 3.0000 Ca++ + 6.0000 H2O
- log_k 60.0452
- -delta_H -316.059 kJ/mol # Calculated enthalpy of reaction Afwillite
-# Enthalpy of formation: -1143.31 kcal/mol
- -analytic 1.8353e+001 1.9014e-003 1.8478e+004 -6.6311e+000 -4.0227e+005
-# -Range: 0-300
-
-Ag
- Ag +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Ag+
- log_k 7.9937
- -delta_H -34.1352 kJ/mol # Calculated enthalpy of reaction Ag
-# Enthalpy of formation: 0 kcal/mol
- -analytic -1.4144e+001 -3.8466e-003 2.2642e+003 6.3388e+000 3.5334e+001
-# -Range: 0-300
-
-Ag3PO4
- Ag3PO4 +1.0000 H+ = + 1.0000 HPO4-- + 3.0000 Ag+
- log_k -5.2282
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ag3PO4
-# Enthalpy of formation: 0 kcal/mol
-
-Ahlfeldite
- NiSeO3:2H2O = + 1.0000 Ni++ + 1.0000 SeO3-- + 2.0000 H2O
- log_k -4.4894
- -delta_H -25.7902 kJ/mol # Calculated enthalpy of reaction Ahlfeldite
-# Enthalpy of formation: -265.07 kcal/mol
- -analytic -2.6210e+001 -1.6952e-002 1.0405e+003 9.4054e+000 1.7678e+001
-# -Range: 0-200
-
-Akermanite
- Ca2MgSi2O7 +6.0000 H+ = + 1.0000 Mg++ + 2.0000 Ca++ + 2.0000 SiO2 + 3.0000 H2O
- log_k 45.3190
- -delta_H -288.575 kJ/mol # Calculated enthalpy of reaction Akermanite
-# Enthalpy of formation: -926.497 kcal/mol
- -analytic -4.8295e+001 -8.5613e-003 2.0880e+004 1.3798e+001 -7.1975e+005
-# -Range: 0-300
-
-Al
- Al +3.0000 H+ +0.7500 O2 = + 1.0000 Al+++ + 1.5000 H2O
- log_k 149.9292
- -delta_H -958.059 kJ/mol # Calculated enthalpy of reaction Al
-# Enthalpy of formation: 0 kJ/mol
- -analytic -1.8752e+002 -4.6187e-002 5.7127e+004 6.6270e+001 -3.8952e+005
-# -Range: 0-300
-
-Al2(SO4)3
- Al2(SO4)3 = + 2.0000 Al+++ + 3.0000 SO4--
- log_k 19.0535
- -delta_H -364.566 kJ/mol # Calculated enthalpy of reaction Al2(SO4)3
-# Enthalpy of formation: -3441.04 kJ/mol
- -analytic -6.1001e+002 -2.4268e-001 2.9194e+004 2.4383e+002 4.5573e+002
-# -Range: 0-300
-
-Al2(SO4)3:6H2O
- Al2(SO4)3:6H2O = + 2.0000 Al+++ + 3.0000 SO4-- + 6.0000 H2O
- log_k 1.6849
- -delta_H -208.575 kJ/mol # Calculated enthalpy of reaction Al2(SO4)3:6H2O
-# Enthalpy of formation: -5312.06 kJ/mol
- -analytic -7.1642e+002 -2.4552e-001 2.6064e+004 2.8441e+002 4.0691e+002
-# -Range: 0-300
-
-AlF3
- AlF3 = + 1.0000 Al+++ + 3.0000 F-
- log_k -17.2089
- -delta_H -34.0441 kJ/mol # Calculated enthalpy of reaction AlF3
-# Enthalpy of formation: -1510.4 kJ/mol
- -analytic -3.9865e+002 -1.3388e-001 1.0211e+004 1.5642e+002 1.5945e+002
-# -Range: 0-300
-
-Alabandite
- MnS +1.0000 H+ = + 1.0000 HS- + 1.0000 Mn++
- log_k -0.3944
- -delta_H -23.3216 kJ/mol # Calculated enthalpy of reaction Alabandite
-# Enthalpy of formation: -51 kcal/mol
- -analytic -1.5515e+002 -4.8820e-002 4.9049e+003 6.1765e+001 7.6583e+001
-# -Range: 0-300
-
-Alamosite
- PbSiO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 Pb++ + 1.0000 SiO2
- log_k 5.6733
- -delta_H -16.5164 kJ/mol # Calculated enthalpy of reaction Alamosite
-# Enthalpy of formation: -1146.1 kJ/mol
- -analytic 2.9941e+002 6.7871e-002 -8.1706e+003 -1.1582e+002 -1.3885e+002
-# -Range: 0-200
-
-Albite
- NaAlSi3O8 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Na+ + 2.0000 H2O + 3.0000 SiO2
- log_k 2.7645
- -delta_H -51.8523 kJ/mol # Calculated enthalpy of reaction Albite
-# Enthalpy of formation: -939.68 kcal/mol
- -analytic -1.1694e+001 1.4429e-002 1.3784e+004 -7.2866e+000 -1.6136e+006
-# -Range: 0-300
-
-Albite_high
- NaAlSi3O8 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Na+ + 2.0000 H2O + 3.0000 SiO2
- log_k 4.0832
- -delta_H -62.8562 kJ/mol # Calculated enthalpy of reaction Albite_high
-# Enthalpy of formation: -937.05 kcal/mol
- -analytic -1.8957e+001 1.3726e-002 1.4801e+004 -4.9732e+000 -1.6442e+006
-# -Range: 0-300
-
-Albite_low
- NaAlSi3O8 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Na+ + 2.0000 H2O + 3.0000 SiO2
- log_k 2.7645
- -delta_H -51.8523 kJ/mol # Calculated enthalpy of reaction Albite_low
-# Enthalpy of formation: -939.68 kcal/mol
- -analytic -1.2860e+001 1.4481e-002 1.3913e+004 -6.9417e+000 -1.6256e+006
-# -Range: 0-300
-
-Alstonite
- BaCa(CO3)2 +2.0000 H+ = + 1.0000 Ba++ + 1.0000 Ca++ + 2.0000 HCO3-
- log_k 2.5843
- -delta_H 0 # Not possible to calculate enthalpy of reaction Alstonite
-# Enthalpy of formation: 0 kcal/mol
-
-Alum-K
- KAl(SO4)2:12H2O = + 1.0000 Al+++ + 1.0000 K+ + 2.0000 SO4-- + 12.0000 H2O
- log_k -4.8818
- -delta_H 14.4139 kJ/mol # Calculated enthalpy of reaction Alum-K
-# Enthalpy of formation: -1447 kcal/mol
- -analytic -8.8025e+002 -2.5706e-001 2.2399e+004 3.5434e+002 3.4978e+002
-# -Range: 0-300
-
-Alunite
- KAl3(OH)6(SO4)2 +6.0000 H+ = + 1.0000 K+ + 2.0000 SO4-- + 3.0000 Al+++ + 6.0000 H2O
- log_k -0.3479
- -delta_H -231.856 kJ/mol # Calculated enthalpy of reaction Alunite
-# Enthalpy of formation: -1235.6 kcal/mol
- -analytic -6.8581e+002 -2.2455e-001 2.6886e+004 2.6758e+002 4.1973e+002
-# -Range: 0-300
-
-Am
- Am +3.0000 H+ +0.7500 O2 = + 1.0000 Am+++ + 1.5000 H2O
- log_k 169.3900
- -delta_H -1036.36 kJ/mol # Calculated enthalpy of reaction Am
-# Enthalpy of formation: 0 kJ/mol
- -analytic -6.7924e+000 -8.9873e-003 5.3327e+004 0.0000e+000 0.0000e+000
-# -Range: 0-300
-
-Am(OH)3
- Am(OH)3 +3.0000 H+ = + 1.0000 Am+++ + 3.0000 H2O
- log_k 15.2218
- -delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)3
-# Enthalpy of formation: 0 kcal/mol
-
-Am(OH)3(am)
- Am(OH)3 +3.0000 H+ = + 1.0000 Am+++ + 3.0000 H2O
- log_k 17.0217
- -delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)3(am)
-# Enthalpy of formation: 0 kcal/mol
-
-Am2(CO3)3
- Am2(CO3)3 +3.0000 H+ = + 2.0000 Am+++ + 3.0000 HCO3-
- log_k -2.3699
- -delta_H 0 # Not possible to calculate enthalpy of reaction Am2(CO3)3
-# Enthalpy of formation: 0 kcal/mol
-
-Am2C3
- Am2C3 +4.5000 O2 +3.0000 H+ = + 2.0000 Am+++ + 3.0000 HCO3-
- log_k 503.9594
- -delta_H -3097.6 kJ/mol # Calculated enthalpy of reaction Am2C3
-# Enthalpy of formation: -151 kJ/mol
- -analytic 3.3907e+002 -4.2636e-003 1.4463e+005 -1.2891e+002 2.4559e+003
-# -Range: 0-200
-
-Am2O3
- Am2O3 +6.0000 H+ = + 2.0000 Am+++ + 3.0000 H2O
- log_k 51.7905
- -delta_H -400.515 kJ/mol # Calculated enthalpy of reaction Am2O3
-# Enthalpy of formation: -1690.4 kJ/mol
- -analytic -9.2044e+001 -1.8883e-002 2.3028e+004 2.9192e+001 3.5935e+002
-# -Range: 0-300
-
-AmBr3
- AmBr3 = + 1.0000 Am+++ + 3.0000 Br-
- log_k 21.7826
- -delta_H -171.21 kJ/mol # Calculated enthalpy of reaction AmBr3
-# Enthalpy of formation: -810 kJ/mol
- -analytic 1.0121e+001 -3.0622e-002 6.1964e+003 0.0000e+000 0.0000e+000
-# -Range: 0-200
-
-AmCl3
- AmCl3 = + 1.0000 Am+++ + 3.0000 Cl-
- log_k 14.3513
- -delta_H -140.139 kJ/mol # Calculated enthalpy of reaction AmCl3
-# Enthalpy of formation: -977.8 kJ/mol
- -analytic -1.5000e+001 -3.6701e-002 5.2281e+003 9.1942e+000 8.8785e+001
-# -Range: 0-200
-
-AmF3
- AmF3 = + 1.0000 Am+++ + 3.0000 F-
- log_k -13.1190
- -delta_H -34.7428 kJ/mol # Calculated enthalpy of reaction AmF3
-# Enthalpy of formation: -1588 kJ/mol
- -analytic -4.0514e+001 -3.7312e-002 4.1626e+002 1.4999e+001 7.0827e+000
-# -Range: 0-200
-
-AmF4
- AmF4 = + 1.0000 Am++++ + 4.0000 F-
- log_k -25.1354
- -delta_H -37.3904 kJ/mol # Calculated enthalpy of reaction AmF4
-# Enthalpy of formation: -1710 kJ/mol
- -analytic -4.9592e+001 -4.5210e-002 -9.7251e+001 1.5457e+001 -1.6348e+000
-# -Range: 0-200
-
-AmH2
- AmH2 +2.0000 H+ +1.0000 O2 = + 1.0000 Am++ + 2.0000 H2O
- log_k 128.4208
- -delta_H -738.376 kJ/mol # Calculated enthalpy of reaction AmH2
-# Enthalpy of formation: -175.8 kJ/mol
- -analytic 3.1175e+001 -1.4062e-002 3.6259e+004 -8.1600e+000 5.6578e+002
-# -Range: 0-300
-
-AmI3
- AmI3 = + 1.0000 Am+++ + 3.0000 I-
- log_k 24.7301
- -delta_H -175.407 kJ/mol # Calculated enthalpy of reaction AmI3
-# Enthalpy of formation: -612 kJ/mol
- -analytic -1.3886e+001 -3.6651e-002 7.2094e+003 1.0247e+001 1.2243e+002
-# -Range: 0-200
-
-AmO2
- AmO2 +4.0000 H+ = + 1.0000 Am++++ + 2.0000 H2O
- log_k -9.4203
- -delta_H -45.4767 kJ/mol # Calculated enthalpy of reaction AmO2
-# Enthalpy of formation: -932.2 kJ/mol
- -analytic -7.4658e+001 -1.1661e-002 4.2059e+003 2.2070e+001 6.5650e+001
-# -Range: 0-300
-
-AmOBr
- AmOBr +2.0000 H+ = + 1.0000 Am+++ + 1.0000 Br- + 1.0000 H2O
- log_k 13.7637
- -delta_H -131.042 kJ/mol # Calculated enthalpy of reaction AmOBr
-# Enthalpy of formation: -893 kJ/mol
- -analytic -4.4394e+001 -1.7071e-002 7.3438e+003 1.5605e+001 1.2472e+002
-# -Range: 0-200
-
-AmOCl
- AmOCl +2.0000 H+ = + 1.0000 Am+++ + 1.0000 Cl- + 1.0000 H2O
- log_k 11.3229
- -delta_H -119.818 kJ/mol # Calculated enthalpy of reaction AmOCl
-# Enthalpy of formation: -949.8 kJ/mol
- -analytic -1.2101e+002 -4.1027e-002 8.6801e+003 4.6651e+001 1.3548e+002
-# -Range: 0-300
-
-AmOHCO3
- AmOHCO3 +2.0000 H+ = + 1.0000 Am+++ + 1.0000 H2O + 1.0000 HCO3-
- log_k 3.1519
- -delta_H 0 # Not possible to calculate enthalpy of reaction AmOHCO3
-# Enthalpy of formation: 0 kcal/mol
-
-AmPO4(am)
- AmPO4 +1.0000 H+ = + 1.0000 Am+++ + 1.0000 HPO4--
- log_k -12.4682
- -delta_H 0 # Not possible to calculate enthalpy of reaction AmPO4(am)
-# Enthalpy of formation: 0 kcal/mol
-
-Amesite-14A
- Mg4Al4Si2O10(OH)8 +20.0000 H+ = + 2.0000 SiO2 + 4.0000 Al+++ + 4.0000 Mg++ + 14.0000 H2O
- log_k 75.4571
- -delta_H -797.098 kJ/mol # Calculated enthalpy of reaction Amesite-14A
-# Enthalpy of formation: -2145.67 kcal/mol
- -analytic -5.4326e+002 -1.4144e-001 5.4150e+004 1.9361e+002 8.4512e+002
-# -Range: 0-300
-
-Analcime
- Na.96Al.96Si2.04O6:H2O +3.8400 H+ = + 0.9600 Al+++ + 0.9600 Na+ + 2.0400 SiO2 + 2.9200 H2O
- log_k 6.1396
- -delta_H -75.844 kJ/mol # Calculated enthalpy of reaction Analcime
-# Enthalpy of formation: -3296.86 kJ/mol
- -analytic -6.8694e+000 6.6052e-003 9.8260e+003 -4.8540e+000 -8.8780e+005
-# -Range: 0-300
-
-Analcime-dehy
- Na.96Al.96Si2.04O6 +3.8400 H+ = + 0.9600 Al+++ + 0.9600 Na+ + 1.9200 H2O + 2.0400 SiO2
- log_k 12.5023
- -delta_H -116.641 kJ/mol # Calculated enthalpy of reaction Analcime-dehy
-# Enthalpy of formation: -2970.23 kJ/mol
- -analytic -7.1134e+000 5.6181e-003 1.2185e+004 -5.0295e+000 -9.3890e+005
-# -Range: 0-300
-
-Anatase
- TiO2 +2.0000 H2O = + 1.0000 Ti(OH)4
- log_k -8.5586
- -delta_H 0 # Not possible to calculate enthalpy of reaction Anatase
-# Enthalpy of formation: -939.942 kJ/mol
-
-Andalusite
- Al2SiO5 +6.0000 H+ = + 1.0000 SiO2 + 2.0000 Al+++ + 3.0000 H2O
- log_k 15.9445
- -delta_H -235.233 kJ/mol # Calculated enthalpy of reaction Andalusite
-# Enthalpy of formation: -615.866 kcal/mol
- -analytic -7.1115e+001 -3.2234e-002 1.2308e+004 2.2357e+001 1.9208e+002
-# -Range: 0-300
-
-Andradite
- Ca3Fe2(SiO4)3 +12.0000 H+ = + 2.0000 Fe+++ + 3.0000 Ca++ + 3.0000 SiO2 + 6.0000 H2O
- log_k 33.3352
- -delta_H -301.173 kJ/mol # Calculated enthalpy of reaction Andradite
-# Enthalpy of formation: -1380.35 kcal/mol
- -analytic 1.3884e+001 -2.3886e-002 1.5314e+004 -8.1606e+000 -4.2193e+005
-# -Range: 0-300
-
-Anglesite
- PbSO4 = + 1.0000 Pb++ + 1.0000 SO4--
- log_k -7.8527
- -delta_H 11.255 kJ/mol # Calculated enthalpy of reaction Anglesite
-# Enthalpy of formation: -219.87 kcal/mol
- -analytic -1.8583e+002 -7.3849e-002 2.8528e+003 7.6936e+001 4.4570e+001
-# -Range: 0-300
-
-Anhydrite
- CaSO4 = + 1.0000 Ca++ + 1.0000 SO4--
- log_k -4.3064
- -delta_H -18.577 kJ/mol # Calculated enthalpy of reaction Anhydrite
-# Enthalpy of formation: -342.76 kcal/mol
- -analytic -2.0986e+002 -7.8823e-002 5.0969e+003 8.5642e+001 7.9594e+001
-# -Range: 0-300
-
-Annite
- KFe3AlSi3O10(OH)2 +10.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 3.0000 Fe++ + 3.0000 SiO2 + 6.0000 H2O
- log_k 29.4693
- -delta_H -259.964 kJ/mol # Calculated enthalpy of reaction Annite
-# Enthalpy of formation: -1232.19 kcal/mol
- -analytic -4.0186e+001 -1.4238e-002 1.8929e+004 7.9859e+000 -8.4343e+005
-# -Range: 0-300
-
-Anorthite
- CaAl2(SiO4)2 +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Al+++ + 2.0000 SiO2 + 4.0000 H2O
- log_k 26.5780
- -delta_H -303.039 kJ/mol # Calculated enthalpy of reaction Anorthite
-# Enthalpy of formation: -1007.55 kcal/mol
- -analytic 3.9717e-001 -1.8751e-002 1.4897e+004 -6.3078e+000 -2.3885e+005
-# -Range: 0-300
-
-Antarcticite
- CaCl2:6H2O = + 1.0000 Ca++ + 2.0000 Cl- + 6.0000 H2O
- log_k 4.0933
- -delta_H 0 # Not possible to calculate enthalpy of reaction Antarcticite
-# Enthalpy of formation: 0 kcal/mol
-
-Anthophyllite
- Mg7Si8O22(OH)2 +14.0000 H+ = + 7.0000 Mg++ + 8.0000 H2O + 8.0000 SiO2
- log_k 66.7965
- -delta_H -483.486 kJ/mol # Calculated enthalpy of reaction Anthophyllite
-# Enthalpy of formation: -2888.75 kcal/mol
- -analytic -1.2865e+002 1.9705e-002 5.4853e+004 1.9444e+001 -3.8080e+006
-# -Range: 0-300
-
-Antigorite
-# Mg48Si24O85(OH)62 +96.0000 H+ = + 34.0000 SiO2 + 48.0000 Mg++ + 79.0000 H2O
- Mg48Si34O85(OH)62 +96.0000 H+ = + 34.0000 SiO2 + 48.0000 Mg++ + 79.0000 H2O
- log_k 477.1943
- -delta_H -3364.43 kJ/mol # Calculated enthalpy of reaction Antigorite
-# Enthalpy of formation: -17070.9 kcal/mol
- -analytic -8.1630e+002 -6.7780e-002 2.5998e+005 2.2029e+002 -9.3275e+006
-# -Range: 0-300
-
-Antlerite
- Cu3(SO4)(OH)4 +4.0000 H+ = + 1.0000 SO4-- + 3.0000 Cu++ + 4.0000 H2O
- log_k 8.7302
- -delta_H 0 # Not possible to calculate enthalpy of reaction Antlerite
-# Enthalpy of formation: 0 kcal/mol
-
-Aphthitalite
- NaK3(SO4)2 = + 1.0000 Na+ + 2.0000 SO4-- + 3.0000 K+
- log_k -3.8878
- -delta_H 0 # Not possible to calculate enthalpy of reaction Aphthitalite
-# Enthalpy of formation: 0 kcal/mol
-
-Aragonite
- CaCO3 +1.0000 H+ = + 1.0000 Ca++ + 1.0000 HCO3-
- log_k 1.9931
- -delta_H -25.8027 kJ/mol # Calculated enthalpy of reaction Aragonite
-# Enthalpy of formation: -288.531 kcal/mol
- -analytic -1.4934e+002 -4.8043e-002 4.9089e+003 6.0284e+001 7.6644e+001
-# -Range: 0-300
-
-Arcanite
- K2SO4 = + 1.0000 SO4-- + 2.0000 K+
- log_k -1.8008
- -delta_H 23.836 kJ/mol # Calculated enthalpy of reaction Arcanite
-# Enthalpy of formation: -1437.78 kJ/mol
- -analytic -1.6428e+002 -6.7762e-002 1.9879e+003 7.1116e+001 3.1067e+001
-# -Range: 0-300
-
-Arsenolite
- As2O3 +3.0000 H2O = + 2.0000 H+ + 2.0000 H2AsO3-
- log_k -19.8365
- -delta_H 84.5449 kJ/mol # Calculated enthalpy of reaction Arsenolite
-# Enthalpy of formation: -656.619 kJ/mol
- -analytic 5.1917e+000 -1.9397e-002 -6.0894e+003 4.7458e-001 -1.0341e+002
-# -Range: 0-200
-
-Arsenopyrite
- FeAsS +1.5000 H2O +0.5000 H+ = + 0.5000 AsH3 + 0.5000 H2AsO3- + 1.0000 Fe++ + 1.0000 HS-
- log_k -14.4453
- -delta_H 28.0187 kJ/mol # Calculated enthalpy of reaction Arsenopyrite
-# Enthalpy of formation: -42.079 kJ/mol
-
-Artinite
- Mg2CO3(OH)2:3H2O +3.0000 H+ = + 1.0000 HCO3- + 2.0000 Mg++ + 5.0000 H2O
- log_k 19.6560
- -delta_H -130.432 kJ/mol # Calculated enthalpy of reaction Artinite
-# Enthalpy of formation: -698.043 kcal/mol
- -analytic -2.8614e+002 -6.7344e-002 1.5230e+004 1.1104e+002 2.3773e+002
-# -Range: 0-300
-
-As
- As +1.5000 H2O +0.7500 O2 = + 1.0000 H+ + 1.0000 H2AsO3-
- log_k 42.7079
- -delta_H -276.937 kJ/mol # Calculated enthalpy of reaction As
-# Enthalpy of formation: 0 kJ/mol
- -analytic -3.4700e+001 -3.1772e-002 1.3788e+004 1.6411e+001 2.1517e+002
-# -Range: 0-300
-
-As2O5
- As2O5 +3.0000 H2O = + 2.0000 H+ + 2.0000 H2AsO4-
- log_k 2.1601
- -delta_H -36.7345 kJ/mol # Calculated enthalpy of reaction As2O5
-# Enthalpy of formation: -924.87 kJ/mol
- -analytic -1.4215e+002 -6.3459e-002 4.1222e+003 6.0369e+001 6.4365e+001
-# -Range: 0-300
-
-As4O6(cubi)
- As4O6 +6.0000 H2O = + 4.0000 H+ + 4.0000 H2AsO3-
- log_k -39.7636
- -delta_H 169.792 kJ/mol # Calculated enthalpy of reaction As4O6(cubi)
-# Enthalpy of formation: -1313.94 kJ/mol
- -analytic -2.6300e+002 -1.1822e-001 -4.9004e+003 1.1108e+002 -7.6389e+001
-# -Range: 0-300
-
-As4O6(mono)
- As4O6 +6.0000 H2O = + 4.0000 H+ + 4.0000 H2AsO3-
- log_k -40.0375
- -delta_H 165.452 kJ/mol # Calculated enthalpy of reaction As4O6(mono)
-# Enthalpy of formation: -1309.6 kJ/mol
- -analytic 9.2518e+000 -3.8823e-002 -1.1985e+004 9.9966e-001 -2.0352e+002
-# -Range: 0-200
-
-Atacamite
- Cu4Cl2(OH)6 +6.0000 H+ = + 2.0000 Cl- + 4.0000 Cu++ + 6.0000 H2O
- log_k 14.2836
- -delta_H -132.001 kJ/mol # Calculated enthalpy of reaction Atacamite
-# Enthalpy of formation: -1654.43 kJ/mol
- -analytic -2.6623e+002 -4.8121e-002 1.5315e+004 9.8395e+001 2.6016e+002
-# -Range: 0-200
-
-Au
- Au +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Au+
- log_k -7.0864
- -delta_H 59.189 kJ/mol # Calculated enthalpy of reaction Au
-# Enthalpy of formation: 0 kcal/mol
- -analytic -7.6610e-001 -2.8520e-003 -3.0861e+003 1.9705e+000 -4.8156e+001
-# -Range: 0-300
-
-Autunite-H
- H2(UO2)2(PO4)2 = + 2.0000 HPO4-- + 2.0000 UO2++
- log_k -25.3372
- -delta_H -31.8599 kJ/mol # Calculated enthalpy of reaction Autunite-H
-# Enthalpy of formation: -4590.3 kJ/mol
- -analytic -3.2179e+001 -3.8038e-002 -6.8629e+002 8.2724e+000 -1.1644e+001
-# -Range: 0-200
-
-Azurite
- Cu3(CO3)2(OH)2 +4.0000 H+ = + 2.0000 H2O + 2.0000 HCO3- + 3.0000 Cu++
- log_k 9.1607
- -delta_H -122.298 kJ/mol # Calculated enthalpy of reaction Azurite
-# Enthalpy of formation: -390.1 kcal/mol
- -analytic -4.4042e+002 -1.1934e-001 1.8053e+004 1.7158e+002 2.8182e+002
-# -Range: 0-300
-
-B
- B +1.5000 H2O +0.7500 O2 = + 1.0000 B(OH)3
- log_k 109.5654
- -delta_H -636.677 kJ/mol # Calculated enthalpy of reaction B
-# Enthalpy of formation: 0 kJ/mol
- -analytic 8.0471e+001 1.2577e-003 2.9653e+004 -2.8593e+001 4.6268e+002
-# -Range: 0-300
-
-B2O3
- B2O3 +3.0000 H2O = + 2.0000 B(OH)3
- log_k 5.5464
- -delta_H -18.0548 kJ/mol # Calculated enthalpy of reaction B2O3
-# Enthalpy of formation: -1273.5 kJ/mol
- -analytic 9.0905e+001 5.5365e-003 -2.6629e+003 -3.1553e+001 -4.1578e+001
-# -Range: 0-300
-
-Ba
- Ba +2.0000 H+ +0.5000 O2 = + 1.0000 Ba++ + 1.0000 H2O
- log_k 141.2465
- -delta_H -817.416 kJ/mol # Calculated enthalpy of reaction Ba
-# Enthalpy of formation: 0 kJ/mol
- -analytic -2.5033e+001 -1.3917e-002 4.2849e+004 1.0786e+001 6.6863e+002
-# -Range: 0-300
-
-Ba(OH)2:8H2O
- Ba(OH)2:8H2O +2.0000 H+ = + 1.0000 Ba++ + 10.0000 H2O
- log_k 24.4911
- -delta_H -55.4363 kJ/mol # Calculated enthalpy of reaction Ba(OH)2:8H2O
-# Enthalpy of formation: -3340.59 kJ/mol
- -analytic -2.3888e+002 -1.5791e-003 1.4097e+004 8.7518e+001 2.3947e+002
-# -Range: 0-200
-
-Ba2Si3O8
- Ba2Si3O8 +4.0000 H+ = + 2.0000 Ba++ + 2.0000 H2O + 3.0000 SiO2
- log_k 23.3284
- -delta_H -95.3325 kJ/mol # Calculated enthalpy of reaction Ba2Si3O8
-# Enthalpy of formation: -4184.73 kJ/mol
- -analytic -8.7226e+001 9.3125e-003 2.3147e+004 2.2012e+001 -2.1714e+006
-# -Range: 0-300
-
-Ba2SiO4
- Ba2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 Ba++ + 2.0000 H2O
- log_k 44.5930
- -delta_H -237.206 kJ/mol # Calculated enthalpy of reaction Ba2SiO4
-# Enthalpy of formation: -2287.46 kJ/mol
- -analytic -7.0350e+000 -5.1744e-003 1.4786e+004 3.1091e+000 -3.6972e+005
-# -Range: 0-300
-
-Ba2U2O7
- Ba2U2O7 +6.0000 H+ = + 2.0000 Ba++ + 2.0000 UO2+ + 3.0000 H2O
- log_k 36.4635
- -delta_H -243.057 kJ/mol # Calculated enthalpy of reaction Ba2U2O7
-# Enthalpy of formation: -3740 kJ/mol
- -analytic -9.2562e+001 5.3866e-003 1.6852e+004 2.8647e+001 2.8621e+002
-# -Range: 0-200
-
-Ba3UO6
- Ba3UO6 +8.0000 H+ = + 1.0000 UO2++ + 3.0000 Ba++ + 4.0000 H2O
- log_k 94.3709
- -delta_H -564.885 kJ/mol # Calculated enthalpy of reaction Ba3UO6
-# Enthalpy of formation: -3210.4 kJ/mol
- -analytic -1.3001e+002 -1.7395e-002 3.3977e+004 4.6715e+001 5.7703e+002
-# -Range: 0-200
-
-BaBr2
- BaBr2 = + 1.0000 Ba++ + 2.0000 Br-
- log_k 5.6226
- -delta_H -23.3887 kJ/mol # Calculated enthalpy of reaction BaBr2
-# Enthalpy of formation: -757.262 kJ/mol
- -analytic -1.7689e+002 -7.1918e-002 4.7187e+003 7.6010e+001 7.3683e+001
-# -Range: 0-300
-
-BaBr2:2H2O
- BaBr2:2H2O = + 1.0000 Ba++ + 2.0000 Br- + 2.0000 H2O
- log_k 2.2523
- -delta_H 13.7736 kJ/mol # Calculated enthalpy of reaction BaBr2:2H2O
-# Enthalpy of formation: -1366.1 kJ/mol
- -analytic -1.5506e+001 -1.6281e-002 -8.5727e+002 1.0296e+001 -1.4552e+001
-# -Range: 0-200
-
-BaCl2
- BaCl2 = + 1.0000 Ba++ + 2.0000 Cl-
- log_k 2.2707
- -delta_H -13.1563 kJ/mol # Calculated enthalpy of reaction BaCl2
-# Enthalpy of formation: -858.647 kJ/mol
- -analytic -2.0393e+002 -7.8925e-002 4.8846e+003 8.6204e+001 7.6280e+001
-# -Range: 0-300
-
-BaCl2:2H2O
- BaCl2:2H2O = + 1.0000 Ba++ + 2.0000 Cl- + 2.0000 H2O
- log_k 0.2459
- -delta_H 16.558 kJ/mol # Calculated enthalpy of reaction BaCl2:2H2O
-# Enthalpy of formation: -1460.04 kJ/mol
- -analytic -2.0350e+002 -7.3577e-002 3.7914e+003 8.6051e+001 5.9221e+001
-# -Range: 0-300
-
-BaCl2:H2O
- BaCl2:H2O = + 1.0000 Ba++ + 1.0000 H2O + 2.0000 Cl-
- log_k 0.8606
- -delta_H 2.89433 kJ/mol # Calculated enthalpy of reaction BaCl2:H2O
-# Enthalpy of formation: -1160.54 kJ/mol
- -analytic -1.9572e+002 -7.3938e-002 4.0553e+003 8.2842e+001 6.3336e+001
-# -Range: 0-300
-
-BaCrO4
- BaCrO4 = + 1.0000 Ba++ + 1.0000 CrO4--
- log_k -9.9322
- -delta_H 25.9115 kJ/mol # Calculated enthalpy of reaction BaCrO4
-# Enthalpy of formation: -345.293 kcal/mol
- -analytic 2.3142e+001 -1.6617e-002 -3.6883e+003 -6.3687e+000 -6.2640e+001
-# -Range: 0-200
-
-BaHPO4
- BaHPO4 = + 1.0000 Ba++ + 1.0000 HPO4--
- log_k -7.4000
- -delta_H 0 # Not possible to calculate enthalpy of reaction BaHPO4
-# Enthalpy of formation: 0 kcal/mol
-
-BaI2
- BaI2 = + 1.0000 Ba++ + 2.0000 I-
- log_k 11.0759
- -delta_H -46.0408 kJ/mol # Calculated enthalpy of reaction BaI2
-# Enthalpy of formation: -605.408 kJ/mol
- -analytic -1.7511e+002 -7.2206e-002 5.8696e+003 7.5974e+001 9.1641e+001
-# -Range: 0-300
-
-BaMnO4
- BaMnO4 = + 1.0000 Ba++ + 1.0000 MnO4--
- log_k -10.0900
- -delta_H 0 # Not possible to calculate enthalpy of reaction BaMnO4
-# Enthalpy of formation: 0 kcal/mol
-
-BaO
- BaO +2.0000 H+ = + 1.0000 Ba++ + 1.0000 H2O
- log_k 47.8036
- -delta_H -270.184 kJ/mol # Calculated enthalpy of reaction BaO
-# Enthalpy of formation: -553.298 kJ/mol
- -analytic -7.3273e+001 -1.7149e-002 1.6811e+004 2.8560e+001 -7.7510e+004
-# -Range: 0-300
-
-BaS
- BaS +1.0000 H+ = + 1.0000 Ba++ + 1.0000 HS-
- log_k 16.2606
- -delta_H -92.9004 kJ/mol # Calculated enthalpy of reaction BaS
-# Enthalpy of formation: -460.852 kJ/mol
- -analytic -1.1819e+002 -4.3420e-002 7.4296e+003 4.9489e+001 1.1597e+002
-# -Range: 0-300
-
-BaSeO3
- BaSeO3 = + 1.0000 Ba++ + 1.0000 SeO3--
- log_k -6.5615
- -delta_H -5.5658 kJ/mol # Calculated enthalpy of reaction BaSeO3
-# Enthalpy of formation: -1041.27 kJ/mol
- -analytic 2.9742e+001 -1.7073e-002 -2.4532e+003 -9.2936e+000 -4.1669e+001
-# -Range: 0-200
-
-BaSeO4
- BaSeO4 = + 1.0000 Ba++ + 1.0000 SeO4--
- log_k -7.4468
- -delta_H 8.9782 kJ/mol # Calculated enthalpy of reaction BaSeO4
-# Enthalpy of formation: -1145.77 kJ/mol
- -analytic 2.4274e+001 -1.6289e-002 -2.8520e+003 -6.9949e+000 -4.8439e+001
-# -Range: 0-200
-
-BaSiF6
- BaSiF6 +2.0000 H2O = + 1.0000 Ba++ + 1.0000 SiO2 + 4.0000 H+ + 6.0000 F-
- log_k -32.1771
- -delta_H 95.2555 kJ/mol # Calculated enthalpy of reaction BaSiF6
-# Enthalpy of formation: -2951.01 kJ/mol
- -analytic -6.4766e+000 -3.8410e-002 0.0000e+000 0.0000e+000 -1.2701e+006
-# -Range: 0-200
-
-BaU2O7
- BaU2O7 +6.0000 H+ = + 1.0000 Ba++ + 2.0000 UO2++ + 3.0000 H2O
- log_k 21.9576
- -delta_H -195.959 kJ/mol # Calculated enthalpy of reaction BaU2O7
-# Enthalpy of formation: -3237.2 kJ/mol
- -analytic -1.2254e+002 -1.0941e-002 1.4452e+004 4.0125e+001 2.4546e+002
-# -Range: 0-200
-
-BaUO4
- BaUO4 +4.0000 H+ = + 1.0000 Ba++ + 1.0000 UO2++ + 2.0000 H2O
- log_k 18.2007
- -delta_H -134.521 kJ/mol # Calculated enthalpy of reaction BaUO4
-# Enthalpy of formation: -1993.8 kJ/mol
- -analytic -6.7113e+001 -1.6340e-002 8.7592e+003 2.4571e+001 1.3670e+002
-# -Range: 0-300
-
-BaZrO3
- BaZrO3 +4.0000 H+ = + 1.0000 Ba++ + 1.0000 H2O + 1.0000 Zr(OH)2++
- log_k -94.4716
- -delta_H 505.159 kJ/mol # Calculated enthalpy of reaction BaZrO3
-# Enthalpy of formation: -578.27 kcal/mol
- -analytic -5.3606e+001 -1.0096e-002 -2.4894e+004 1.8446e+001 -4.2271e+002
-# -Range: 0-200
-
-Baddeleyite
- ZrO2 +2.0000 H+ = + 1.0000 Zr(OH)2++
- log_k -7.9405
- -delta_H 9.72007 kJ/mol # Calculated enthalpy of reaction Baddeleyite
-# Enthalpy of formation: -1100.56 kJ/mol
- -analytic -2.5188e-001 -4.6374e-003 -1.0635e+003 -1.1055e+000 -1.6595e+001
-# -Range: 0-300
-
-Barite
- BaSO4 = + 1.0000 Ba++ + 1.0000 SO4--
- log_k -9.9711
- -delta_H 25.9408 kJ/mol # Calculated enthalpy of reaction Barite
-# Enthalpy of formation: -352.1 kcal/mol
- -analytic -1.8747e+002 -7.5521e-002 2.0790e+003 7.7998e+001 3.2497e+001
-# -Range: 0-300
-
-Barytocalcite
- BaCa(CO3)2 +2.0000 H+ = + 1.0000 Ba++ + 1.0000 Ca++ + 2.0000 HCO3-
- log_k 2.7420
- -delta_H 0 # Not possible to calculate enthalpy of reaction Barytocalcite
-# Enthalpy of formation: 0 kcal/mol
-
-Bassanite
- CaSO4:0.5H2O = + 0.5000 H2O + 1.0000 Ca++ + 1.0000 SO4--
- log_k -3.6615
- -delta_H -18.711 kJ/mol # Calculated enthalpy of reaction Bassanite
-# Enthalpy of formation: -1576.89 kJ/mol
- -analytic -2.2010e+002 -8.0230e-002 5.5092e+003 8.9651e+001 8.6031e+001
-# -Range: 0-300
-
-Bassetite
- Fe(UO2)2(PO4)2 +2.0000 H+ = + 1.0000 Fe++ + 2.0000 HPO4-- + 2.0000 UO2++
- log_k -17.7240
- -delta_H -114.841 kJ/mol # Calculated enthalpy of reaction Bassetite
-# Enthalpy of formation: -1099.33 kcal/mol
- -analytic -5.7788e+001 -4.5400e-002 4.0119e+003 1.6216e+001 6.8147e+001
-# -Range: 0-200
-
-Be
- Be +2.0000 H+ +0.5000 O2 = + 1.0000 Be++ + 1.0000 H2O
- log_k 104.2077
- -delta_H -662.608 kJ/mol # Calculated enthalpy of reaction Be
-# Enthalpy of formation: 0 kJ/mol
- -analytic -9.3960e+001 -2.4749e-002 3.6714e+004 3.3295e+001 5.7291e+002
-# -Range: 0-300
-
-Be13U
- Be13U +30.0000 H+ +7.5000 O2 = + 1.0000 U++++ + 13.0000 Be++ + 15.0000 H2O
- log_k 1504.5350
- -delta_H -9601.04 kJ/mol # Calculated enthalpy of reaction Be13U
-# Enthalpy of formation: -163.6 kJ/mol
- -analytic -1.2388e+003 -3.2848e-001 5.2816e+005 4.3222e+002 8.2419e+003
-# -Range: 0-300
-
-Beidellite-Ca
- Ca.165Al2.33Si3.67O10(OH)2 +7.3200 H+ = + 0.1650 Ca++ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O
- log_k 5.5914
- -delta_H -162.403 kJ/mol # Calculated enthalpy of reaction Beidellite-Ca
-# Enthalpy of formation: -1370.66 kcal/mol
- -analytic 2.3887e+001 4.4178e-003 1.5296e+004 -2.2343e+001 -1.4025e+006
-# -Range: 0-300
-
-Beidellite-Cs
- Cs.33Si3.67Al2.33O10(OH)2 +7.3200 H+ = + 0.3300 Cs+ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O
- log_k 5.1541
- -delta_H -149.851 kJ/mol # Calculated enthalpy of reaction Beidellite-Cs
-# Enthalpy of formation: -1372.59 kcal/mol
- -analytic 2.1244e+001 2.1705e-003 1.4504e+004 -2.0250e+001 -1.3712e+006
-# -Range: 0-300
-
-Beidellite-H
- H.33Al2.33Si3.67O10(OH)2 +6.9900 H+ = + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O
- log_k 4.6335
- -delta_H -154.65 kJ/mol # Calculated enthalpy of reaction Beidellite-H
-# Enthalpy of formation: -1351.1 kcal/mol
- -analytic 5.4070e+000 3.4064e-003 1.6284e+004 -1.6028e+001 -1.5014e+006
-# -Range: 0-300
-
-Beidellite-K
- K.33Al2.33Si3.67O10(OH)2 +7.3200 H+ = + 0.3300 K+ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O
- log_k 5.3088
- -delta_H -150.834 kJ/mol # Calculated enthalpy of reaction Beidellite-K
-# Enthalpy of formation: -1371.9 kcal/mol
- -analytic 1.0792e+001 3.4419e-003 1.5760e+004 -1.7333e+001 -1.4779e+006
-# -Range: 0-300
-
-Beidellite-Mg
- Mg.165Al2.33Si3.67O10(OH)2 +7.3200 H+ = + 0.1650 Mg++ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O
- log_k 5.5537
- -delta_H -165.455 kJ/mol # Calculated enthalpy of reaction Beidellite-Mg
-# Enthalpy of formation: -1366.89 kcal/mol
- -analytic 1.3375e+001 3.0420e-003 1.5947e+004 -1.8728e+001 -1.4242e+006
-# -Range: 0-300
-
-Beidellite-Na
- Na.33Al2.33Si3.67O10(OH)2 +7.3200 H+ = + 0.3300 Na+ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O
- log_k 5.6473
- -delta_H -155.846 kJ/mol # Calculated enthalpy of reaction Beidellite-Na
-# Enthalpy of formation: -1369.76 kcal/mol
- -analytic 1.1504e+001 3.9871e-003 1.5818e+004 -1.7762e+001 -1.4485e+006
-# -Range: 0-300
-
-Berlinite
- AlPO4 +1.0000 H+ = + 1.0000 Al+++ + 1.0000 HPO4--
- log_k -7.2087
- -delta_H -96.6313 kJ/mol # Calculated enthalpy of reaction Berlinite
-# Enthalpy of formation: -1733.85 kJ/mol
- -analytic -2.8134e+002 -9.9933e-002 1.0308e+004 1.0883e+002 1.6094e+002
-# -Range: 0-300
-
-Berndtite
- SnS2 = + 1.0000 S2-- + 1.0000 Sn++
- log_k -34.5393
- -delta_H 0 # Not possible to calculate enthalpy of reaction Berndtite
-# Enthalpy of formation: -36.7 kcal/mol
- -analytic -2.0311e+002 -7.6462e-002 -4.9879e+003 8.4082e+001 -7.7772e+001
-# -Range: 0-300
-
-Bieberite
- CoSO4:7H2O = + 1.0000 Co++ + 1.0000 SO4-- + 7.0000 H2O
- log_k -2.5051
- -delta_H 11.3885 kJ/mol # Calculated enthalpy of reaction Bieberite
-# Enthalpy of formation: -2980.02 kJ/mol
- -analytic -2.6405e+002 -7.2497e-002 6.6673e+003 1.0538e+002 1.0411e+002
-# -Range: 0-300
-
-Birnessite
- Mn8O14:5H2O +4.0000 H+ = + 3.0000 MnO4-- + 5.0000 Mn++ + 7.0000 H2O
- log_k -85.5463
- -delta_H 0 # Not possible to calculate enthalpy of reaction Birnessite
-# Enthalpy of formation: 0 kcal/mol
-
-Bischofite
- MgCl2:6H2O = + 1.0000 Mg++ + 2.0000 Cl- + 6.0000 H2O
- log_k 4.3923
- -delta_H 0 # Not possible to calculate enthalpy of reaction Bischofite
-# Enthalpy of formation: 0 kcal/mol
-
-Bixbyite
- Mn2O3 +6.0000 H+ = + 2.0000 Mn+++ + 3.0000 H2O
- log_k -0.9655
- -delta_H -190.545 kJ/mol # Calculated enthalpy of reaction Bixbyite
-# Enthalpy of formation: -958.971 kJ/mol
- -analytic -1.1600e+002 -2.8056e-003 1.3418e+004 2.8639e+001 2.0941e+002
-# -Range: 0-300
-
-Bloedite
- Na2Mg(SO4)2:4H2O = + 1.0000 Mg++ + 2.0000 Na+ + 2.0000 SO4-- + 4.0000 H2O
- log_k -2.4777
- -delta_H 0 # Not possible to calculate enthalpy of reaction Bloedite
-# Enthalpy of formation: 0 kcal/mol
-
-Boehmite
- AlO2H +3.0000 H+ = + 1.0000 Al+++ + 2.0000 H2O
- log_k 7.5642
- -delta_H -113.282 kJ/mol # Calculated enthalpy of reaction Boehmite
-# Enthalpy of formation: -238.24 kcal/mol
- -analytic -1.2196e+002 -3.1138e-002 8.8643e+003 4.4075e+001 1.3835e+002
-# -Range: 0-300
-
-Boltwoodite
- K(H3O)(UO2)SiO4 +3.0000 H+ = + 1.0000 K+ + 1.0000 SiO2 + 1.0000 UO2++ + 3.0000 H2O
- log_k 14.8857
- -delta_H 0 # Not possible to calculate enthalpy of reaction Boltwoodite
-# Enthalpy of formation: 0 kcal/mol
-
-Boltwoodite-Na
- Na.7K.3(H3O)(UO2)SiO4:H2O +3.0000 H+ = + 0.3000 K+ + 0.7000 Na+ + 1.0000 SiO2 + 1.0000 UO2++ + 4.0000 H2O
- log_k 14.5834
- -delta_H 0 # Not possible to calculate enthalpy of reaction Boltwoodite-Na
-# Enthalpy of formation: 0 kcal/mol
-
-Borax
- Na2(B4O5(OH)4):8H2O +2.0000 H+ = + 2.0000 Na+ + 4.0000 B(OH)3 + 5.0000 H2O
- log_k 12.0395
- -delta_H 80.5145 kJ/mol # Calculated enthalpy of reaction Borax
-# Enthalpy of formation: -6288.44 kJ/mol
- -analytic 7.8374e+001 1.9328e-002 -5.3279e+003 -2.1914e+001 -8.3160e+001
-# -Range: 0-300
-
-Boric_acid
- B(OH)3 = + 1.0000 B(OH)3
- log_k -0.1583
- -delta_H 20.2651 kJ/mol # Calculated enthalpy of reaction Boric_acid
-# Enthalpy of formation: -1094.8 kJ/mol
- -analytic 3.9122e+001 6.4058e-003 -2.2525e+003 -1.3592e+001 -3.5160e+001
-# -Range: 0-300
-
-Bornite
- Cu5FeS4 +4.0000 H+ = + 1.0000 Cu++ + 1.0000 Fe++ + 4.0000 Cu+ + 4.0000 HS-
- log_k -102.4369
- -delta_H 530.113 kJ/mol # Calculated enthalpy of reaction Bornite
-# Enthalpy of formation: -79.922 kcal/mol
- -analytic -7.0495e+002 -2.0082e-001 -9.1376e+003 2.8004e+002 -1.4238e+002
-# -Range: 0-300
-
-Brezinaite
- Cr3S4 +4.0000 H+ = + 1.0000 Cr++ + 2.0000 Cr+++ + 4.0000 HS-
- log_k 2.7883
- -delta_H -216.731 kJ/mol # Calculated enthalpy of reaction Brezinaite
-# Enthalpy of formation: -111.9 kcal/mol
- -analytic -7.0528e+001 -3.6568e-002 1.0598e+004 1.9665e+001 1.8000e+002
-# -Range: 0-200
-
-Brochantite
- Cu4(SO4)(OH)6 +6.0000 H+ = + 1.0000 SO4-- + 4.0000 Cu++ + 6.0000 H2O
- log_k 15.4363
- -delta_H -163.158 kJ/mol # Calculated enthalpy of reaction Brochantite
-# Enthalpy of formation: -2198.72 kJ/mol
- -analytic -2.3609e+002 -3.9046e-002 1.5970e+004 8.4701e+001 2.7127e+002
-# -Range: 0-200
-
-Bromellite
- BeO +2.0000 H+ = + 1.0000 Be++ + 1.0000 H2O
- log_k 1.1309
- -delta_H -59.2743 kJ/mol # Calculated enthalpy of reaction Bromellite
-# Enthalpy of formation: -609.4 kJ/mol
- -analytic 1.4790e+002 -4.6004e-001 -3.2577e+004 4.0273e+001 -5.0837e+002
-# -Range: 0-300
-
-Brucite
- Mg(OH)2 +2.0000 H+ = + 1.0000 Mg++ + 2.0000 H2O
- log_k 16.2980
- -delta_H -111.34 kJ/mol # Calculated enthalpy of reaction Brucite
-# Enthalpy of formation: -221.39 kcal/mol
- -analytic -1.0280e+002 -1.9759e-002 9.0180e+003 3.8282e+001 1.4075e+002
-# -Range: 0-300
-
-Brushite
- CaHPO4:2H2O = + 1.0000 Ca++ + 1.0000 HPO4-- + 2.0000 H2O
- log_k 6.5500
- -delta_H 0 # Not possible to calculate enthalpy of reaction Brushite
-# Enthalpy of formation: 0 kcal/mol
-
-Bunsenite
- NiO +2.0000 H+ = + 1.0000 H2O + 1.0000 Ni++
- log_k 12.4719
- -delta_H -100.069 kJ/mol # Calculated enthalpy of reaction Bunsenite
-# Enthalpy of formation: -57.3 kcal/mol
- -analytic -8.1664e+001 -1.9796e-002 7.4064e+003 3.0385e+001 1.1559e+002
-# -Range: 0-300
-
-Burkeite
- Na6CO3(SO4)2 +1.0000 H+ = + 1.0000 HCO3- + 2.0000 SO4-- + 6.0000 Na+
- log_k 9.4866
- -delta_H 0 # Not possible to calculate enthalpy of reaction Burkeite
-# Enthalpy of formation: 0 kcal/mol
-
-C
- C +1.0000 H2O +1.0000 O2 = + 1.0000 H+ + 1.0000 HCO3-
- log_k 64.1735
- -delta_H -391.961 kJ/mol # Calculated enthalpy of reaction C
-# Enthalpy of formation: 0 kcal/mol
- -analytic -3.5556e+001 -3.3691e-002 1.9774e+004 1.7548e+001 3.0856e+002
-# -Range: 0-300
-
-Ca
- Ca +2.0000 H+ +0.5000 O2 = + 1.0000 Ca++ + 1.0000 H2O
- log_k 139.8465
- -delta_H -822.855 kJ/mol # Calculated enthalpy of reaction Ca
-# Enthalpy of formation: 0 kJ/mol
- -analytic -1.1328e+002 -2.6554e-002 4.7638e+004 4.1989e+001 -2.3545e+005
-# -Range: 0-300
-
-Ca-Al_Pyroxene
- CaAl2SiO6 +8.0000 H+ = + 1.0000 Ca++ + 1.0000 SiO2 + 2.0000 Al+++ + 4.0000 H2O
- log_k 35.9759
- -delta_H -361.548 kJ/mol # Calculated enthalpy of reaction Ca-Al_Pyroxene
-# Enthalpy of formation: -783.793 kcal/mol
- -analytic -1.4664e+002 -5.0409e-002 2.1045e+004 5.1318e+001 3.2843e+002
-# -Range: 0-300
-
-Ca2Al2O5:8H2O
- Ca2Al2O5:8H2O +10.0000 H+ = + 2.0000 Al+++ + 2.0000 Ca++ + 13.0000 H2O
- log_k 59.5687
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ca2Al2O5:8H2O
-# Enthalpy of formation: 0 kcal/mol
-
-Ca2Cl2(OH)2:H2O
- Ca2Cl2(OH)2:H2O +2.0000 H+ = + 2.0000 Ca++ + 2.0000 Cl- + 3.0000 H2O
- log_k 26.2901
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ca2Cl2(OH)2:H2O
-# Enthalpy of formation: 0 kcal/mol
-
-Ca2V2O7
- Ca2V2O7 +1.0000 H2O = + 2.0000 Ca++ + 2.0000 H+ + 2.0000 VO4---
- log_k -39.7129
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ca2V2O7
-# Enthalpy of formation: -3083.46 kJ/mol
-
-Ca3(AsO4)2
- Ca3(AsO4)2 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 Ca++
- log_k 17.8160
- -delta_H -149.956 kJ/mol # Calculated enthalpy of reaction Ca3(AsO4)2
-# Enthalpy of formation: -3298.41 kJ/mol
- -analytic -1.4011e+002 -4.2945e-002 1.0981e+004 5.4107e+001 1.8652e+002
-# -Range: 0-200
-
-Ca3Al2O6
- Ca3Al2O6 +12.0000 H+ = + 2.0000 Al+++ + 3.0000 Ca++ + 6.0000 H2O
- log_k 113.0460
- -delta_H -833.336 kJ/mol # Calculated enthalpy of reaction Ca3Al2O6
-# Enthalpy of formation: -857.492 kcal/mol
- -analytic -2.7163e+002 -5.2897e-002 5.0815e+004 9.2946e+001 8.6300e+002
-# -Range: 0-200
-
-Ca3V2O8
- Ca3V2O8 = + 2.0000 VO4--- + 3.0000 Ca++
- log_k -18.3234
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ca3V2O8
-# Enthalpy of formation: -3778.1 kJ/mol
-
-Ca4Al2Fe2O10
- Ca4Al2Fe2O10 +20.0000 H+ = + 2.0000 Al+++ + 2.0000 Fe+++ + 4.0000 Ca++ + 10.0000 H2O
- log_k 140.5050
- -delta_H -1139.86 kJ/mol # Calculated enthalpy of reaction Ca4Al2Fe2O10
-# Enthalpy of formation: -1211 kcal/mol
- -analytic -4.1808e+002 -8.2787e-002 7.0288e+004 1.4043e+002 1.1937e+003
-# -Range: 0-200
-
-Ca4Al2O7:13H2O
- Ca4Al2O7:13H2O +14.0000 H+ = + 2.0000 Al+++ + 4.0000 Ca++ + 20.0000 H2O
- log_k 107.2537
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ca4Al2O7:13H2O
-# Enthalpy of formation: 0 kcal/mol
-
-Ca4Al2O7:19H2O
- Ca4Al2O7:19H2O +14.0000 H+ = + 2.0000 Al+++ + 4.0000 Ca++ + 26.0000 H2O
- log_k 103.6812
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ca4Al2O7:19H2O
-# Enthalpy of formation: 0 kcal/mol
-
-Ca4Cl2(OH)6:13H2O
- Ca4Cl2(OH)6:13H2O +6.0000 H+ = + 2.0000 Cl- + 4.0000 Ca++ + 19.0000 H2O
- log_k 68.3283
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ca4Cl2(OH)6:13H2O
-# Enthalpy of formation: 0 kcal/mol
-
-CaAl2O4
- CaAl2O4 +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Al+++ + 4.0000 H2O
- log_k 46.9541
- -delta_H -436.952 kJ/mol # Calculated enthalpy of reaction CaAl2O4
-# Enthalpy of formation: -555.996 kcal/mol
- -analytic -3.0378e+002 -7.9356e-002 3.0096e+004 1.1049e+002 4.6971e+002
-# -Range: 0-300
-
-CaAl2O4:10H2O
- CaAl2O4:10H2O +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Al+++ + 14.0000 H2O
- log_k 37.9946
- -delta_H 0 # Not possible to calculate enthalpy of reaction CaAl2O4:10H2O
-# Enthalpy of formation: 0 kcal/mol
-
-CaAl4O7
- CaAl4O7 +14.0000 H+ = + 1.0000 Ca++ + 4.0000 Al+++ + 7.0000 H2O
- log_k 68.6138
- -delta_H -718.464 kJ/mol # Calculated enthalpy of reaction CaAl4O7
-# Enthalpy of formation: -951.026 kcal/mol
- -analytic -3.1044e+002 -6.7078e-002 4.4566e+004 1.0085e+002 7.5689e+002
-# -Range: 0-200
-
-CaSO4:0.5H2O(beta)
- CaSO4:0.5H2O = + 0.5000 H2O + 1.0000 Ca++ + 1.0000 SO4--
- log_k -3.4934
- -delta_H -20.804 kJ/mol # Calculated enthalpy of reaction CaSO4:0.5H2O(beta)
-# Enthalpy of formation: -1574.8 kJ/mol
- -analytic -2.3054e+002 -8.2832e-002 5.9132e+003 9.3705e+001 9.2338e+001
-# -Range: 0-300
-
-CaSeO3:2H2O
- CaSeO3:2H2O = + 1.0000 Ca++ + 1.0000 SeO3-- + 2.0000 H2O
- log_k -4.6213
- -delta_H -14.1963 kJ/mol # Calculated enthalpy of reaction CaSeO3:2H2O
-# Enthalpy of formation: -384.741 kcal/mol
- -analytic -4.1771e+001 -2.0735e-002 9.7870e+002 1.6180e+001 1.6634e+001
-# -Range: 0-200
-
-CaSeO4
- CaSeO4 = + 1.0000 Ca++ + 1.0000 SeO4--
- log_k -3.0900
- -delta_H 0 # Not possible to calculate enthalpy of reaction CaSeO4
-# Enthalpy of formation: 0 kcal/mol
-
-CaUO4
- CaUO4 +4.0000 H+ = + 1.0000 Ca++ + 1.0000 UO2++ + 2.0000 H2O
- log_k 15.9420
- -delta_H -131.46 kJ/mol # Calculated enthalpy of reaction CaUO4
-# Enthalpy of formation: -2002.3 kJ/mol
- -analytic -8.7902e+001 -1.9810e-002 9.2354e+003 3.1832e+001 1.4414e+002
-# -Range: 0-300
-
-CaV2O6
- CaV2O6 +2.0000 H2O = + 1.0000 Ca++ + 2.0000 VO4--- + 4.0000 H+
- log_k -51.3617
- -delta_H 0 # Not possible to calculate enthalpy of reaction CaV2O6
-# Enthalpy of formation: -2329.34 kJ/mol
-
-CaZrO3
- CaZrO3 +4.0000 H+ = + 1.0000 Ca++ + 1.0000 H2O + 1.0000 Zr(OH)2++
- log_k -148.5015
- -delta_H 801.282 kJ/mol # Calculated enthalpy of reaction CaZrO3
-# Enthalpy of formation: -650.345 kcal/mol
- -analytic -7.7908e+001 -1.4388e-002 -3.9635e+004 2.6932e+001 -6.7303e+002
-# -Range: 0-200
-
-Cadmoselite
- CdSe = + 1.0000 Cd++ + 1.0000 Se--
- log_k -33.8428
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cadmoselite
-# Enthalpy of formation: -34.6 kcal/mol
- -analytic -5.3432e+001 -1.3973e-002 -5.8989e+003 1.7591e+001 -9.2031e+001
-# -Range: 0-300
-
-Calcite
- CaCO3 +1.0000 H+ = + 1.0000 Ca++ + 1.0000 HCO3-
- log_k 1.8487
- -delta_H -25.7149 kJ/mol # Calculated enthalpy of reaction Calcite
-# Enthalpy of formation: -288.552 kcal/mol
- -analytic -1.4978e+002 -4.8370e-002 4.8974e+003 6.0458e+001 7.6464e+001
-# -Range: 0-300
-
-Calomel
- Hg2Cl2 = + 1.0000 Hg2++ + 2.0000 Cl-
- log_k -17.8241
- -delta_H 98.0267 kJ/mol # Calculated enthalpy of reaction Calomel
-# Enthalpy of formation: -265.37 kJ/mol
- -analytic -4.8868e+001 -2.5540e-002 -2.8439e+003 1.9475e+001 -4.8277e+001
-# -Range: 0-200
-
-Carnallite
- KMgCl3:6H2O = + 1.0000 K+ + 1.0000 Mg++ + 3.0000 Cl- + 6.0000 H2O
- log_k 4.2721
- -delta_H 0 # Not possible to calculate enthalpy of reaction Carnallite
-# Enthalpy of formation: 0 kcal/mol
-
-Carnotite
- K2(UO2)2(VO4)2 = + 2.0000 K+ + 2.0000 UO2++ + 2.0000 VO4---
- log_k -56.3811
- -delta_H 0 # Not possible to calculate enthalpy of reaction Carnotite
-# Enthalpy of formation: -1173.9 kJ/mol
-
-Cassiterite
- SnO2 +2.0000 H+ = + 0.5000 O2 + 1.0000 H2O + 1.0000 Sn++
- log_k -46.1203
- -delta_H 280.048 kJ/mol # Calculated enthalpy of reaction Cassiterite
-# Enthalpy of formation: -138.8 kcal/mol
- -analytic -8.9264e+001 -1.5743e-002 -1.1497e+004 3.4917e+001 -1.7937e+002
-# -Range: 0-300
-
-Cattierite
- CoS2 = + 1.0000 Co++ + 1.0000 S2--
- log_k -29.9067
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cattierite
-# Enthalpy of formation: -36.589 kcal/mol
- -analytic -2.1970e+002 -7.8585e-002 -1.9592e+003 8.8809e+001 -3.0507e+001
-# -Range: 0-300
-
-Cd
- Cd +2.0000 H+ +0.5000 O2 = + 1.0000 Cd++ + 1.0000 H2O
- log_k 56.6062
- -delta_H -355.669 kJ/mol # Calculated enthalpy of reaction Cd
-# Enthalpy of formation: 0 kJ/mol
- -analytic -7.2027e+001 -2.0250e-002 2.0474e+004 2.6814e+001 -3.2348e+004
-# -Range: 0-300
-
-Cd(BO2)2
- Cd(BO2)2 +2.0000 H+ +2.0000 H2O = + 1.0000 Cd++ + 2.0000 B(OH)3
- log_k 9.8299
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(BO2)2
-# Enthalpy of formation: 0 kcal/mol
-
-Cd(IO3)2
- Cd(IO3)2 = + 1.0000 Cd++ + 2.0000 IO3-
- log_k -7.5848
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(IO3)2
-# Enthalpy of formation: 0 kcal/mol
-
-Cd(OH)2
- Cd(OH)2 +2.0000 H+ = + 1.0000 Cd++ + 2.0000 H2O
- log_k 13.7382
- -delta_H -87.0244 kJ/mol # Calculated enthalpy of reaction Cd(OH)2
-# Enthalpy of formation: -560.55 kJ/mol
- -analytic -7.7001e+001 -6.9251e-003 7.4684e+003 2.7380e+001 1.2685e+002
-# -Range: 0-200
-
-Cd(OH)Cl
- Cd(OH)Cl +1.0000 H+ = + 1.0000 Cd++ + 1.0000 Cl- + 1.0000 H2O
- log_k 3.5435
- -delta_H -30.3888 kJ/mol # Calculated enthalpy of reaction Cd(OH)Cl
-# Enthalpy of formation: -498.427 kJ/mol
- -analytic -4.5477e+001 -1.5809e-002 2.5333e+003 1.8279e+001 4.3035e+001
-# -Range: 0-200
-
-Cd3(AsO4)2
- Cd3(AsO4)2 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 Cd++
- log_k 4.0625
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(AsO4)2
-# Enthalpy of formation: 0 kcal/mol
-
-Cd3(PO4)2
- Cd3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Cd++
- log_k -7.8943
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(PO4)2
-# Enthalpy of formation: 0 kcal/mol
-
-Cd3(SO4)(OH)4
- Cd3(SO4)(OH)4 +4.0000 H+ = + 1.0000 SO4-- + 3.0000 Cd++ + 4.0000 H2O
- log_k 22.5735
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(SO4)(OH)4
-# Enthalpy of formation: 0 kcal/mol
-
-Cd3(SO4)2(OH)2
- Cd3(SO4)2(OH)2 +2.0000 H+ = + 2.0000 H2O + 2.0000 SO4-- + 3.0000 Cd++
- log_k 6.7180
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(SO4)2(OH)2
-# Enthalpy of formation: 0 kcal/mol
-
-CdBr2
- CdBr2 = + 1.0000 Cd++ + 2.0000 Br-
- log_k -1.8470
- -delta_H -2.67548 kJ/mol # Calculated enthalpy of reaction CdBr2
-# Enthalpy of formation: -316.229 kJ/mol
- -analytic 1.3056e+000 -2.0628e-002 -1.3318e+003 3.0126e+000 -2.2616e+001
-# -Range: 0-200
-
-CdBr2:4H2O
- CdBr2:4H2O = + 1.0000 Cd++ + 2.0000 Br- + 4.0000 H2O
- log_k -2.3378
- -delta_H 30.2812 kJ/mol # Calculated enthalpy of reaction CdBr2:4H2O
-# Enthalpy of formation: -1492.54 kJ/mol
- -analytic -1.0038e+002 -2.1045e-002 1.6896e+003 3.9864e+001 2.8726e+001
-# -Range: 0-200
-
-CdCl2
- CdCl2 = + 1.0000 Cd++ + 2.0000 Cl-
- log_k -0.6474
- -delta_H -18.5391 kJ/mol # Calculated enthalpy of reaction CdCl2
-# Enthalpy of formation: -391.518 kJ/mol
- -analytic -1.5230e+001 -2.4574e-002 -8.1017e+001 8.9599e+000 -1.3702e+000
-# -Range: 0-200
-
-CdCl2(NH3)2
- CdCl2(NH3)2 = + 1.0000 Cd++ + 2.0000 Cl- + 2.0000 NH3
- log_k -8.7864
- -delta_H 63.534 kJ/mol # Calculated enthalpy of reaction CdCl2(NH3)2
-# Enthalpy of formation: -636.265 kJ/mol
- -analytic -5.5283e+001 -2.1791e-002 -2.1150e+003 2.4279e+001 -3.5896e+001
-# -Range: 0-200
-
-CdCl2(NH3)4
- CdCl2(NH3)4 = + 1.0000 Cd++ + 2.0000 Cl- + 4.0000 NH3
- log_k -6.8044
- -delta_H 81.7931 kJ/mol # Calculated enthalpy of reaction CdCl2(NH3)4
-# Enthalpy of formation: -817.198 kJ/mol
- -analytic -9.5682e+001 -1.8853e-002 -8.3875e+002 3.9322e+001 -1.4210e+001
-# -Range: 0-200
-
-CdCl2(NH3)6
- CdCl2(NH3)6 = + 1.0000 Cd++ + 2.0000 Cl- + 6.0000 NH3
- log_k -4.7524
- -delta_H 97.2971 kJ/mol # Calculated enthalpy of reaction CdCl2(NH3)6
-# Enthalpy of formation: -995.376 kJ/mol
- -analytic -1.3662e+002 -1.5941e-002 5.8572e+002 5.4415e+001 9.9937e+000
-# -Range: 0-200
-
-CdCl2:H2O
- CdCl2:H2O = + 1.0000 Cd++ + 1.0000 H2O + 2.0000 Cl-
- log_k -1.6747
- -delta_H -7.44943 kJ/mol # Calculated enthalpy of reaction CdCl2:H2O
-# Enthalpy of formation: -688.446 kJ/mol
- -analytic -4.1097e+001 -2.4685e-002 5.2687e+002 1.8188e+001 8.9615e+000
-# -Range: 0-200
-
-CdCr2O4
- CdCr2O4 +8.0000 H+ = + 1.0000 Cd++ + 2.0000 Cr+++ + 4.0000 H2O
- log_k 14.9969
- -delta_H -255.676 kJ/mol # Calculated enthalpy of reaction CdCr2O4
-# Enthalpy of formation: -344.3 kcal/mol
- -analytic -1.7446e+002 -9.1086e-003 1.9223e+004 5.1605e+001 3.2650e+002
-# -Range: 0-200
-
-CdF2
- CdF2 = + 1.0000 Cd++ + 2.0000 F-
- log_k -1.1464
- -delta_H -46.064 kJ/mol # Calculated enthalpy of reaction CdF2
-# Enthalpy of formation: -700.529 kJ/mol
- -analytic -3.0654e+001 -2.4790e-002 1.7893e+003 1.2482e+001 3.0395e+001
-# -Range: 0-200
-
-CdI2
- CdI2 = + 1.0000 Cd++ + 2.0000 I-
- log_k -3.4825
- -delta_H 13.7164 kJ/mol # Calculated enthalpy of reaction CdI2
-# Enthalpy of formation: -203.419 kJ/mol
- -analytic -1.5446e+001 -2.4758e-002 -1.6422e+003 1.0041e+001 -2.7882e+001
-# -Range: 0-200
-
-CdS
- CdS +1.0000 H+ = + 1.0000 Cd++ + 1.0000 HS-
- log_k -15.9095
- -delta_H 70.1448 kJ/mol # Calculated enthalpy of reaction CdS
-# Enthalpy of formation: -162.151 kJ/mol
- -analytic -2.9492e+001 -1.5181e-002 -3.4695e+003 1.2019e+001 -5.8907e+001
-# -Range: 0-200
-
-CdSO4
- CdSO4 = + 1.0000 Cd++ + 1.0000 SO4--
- log_k -0.1061
- -delta_H -52.1304 kJ/mol # Calculated enthalpy of reaction CdSO4
-# Enthalpy of formation: -933.369 kJ/mol
- -analytic 7.7104e+000 -1.7161e-002 8.7067e+002 -2.2763e+000 1.4783e+001
-# -Range: 0-200
-
-CdSO4:2.667H2O
- CdSO4:2.667H2O = + 1.0000 Cd++ + 1.0000 SO4-- + 2.6670 H2O
- log_k -1.8015
- -delta_H -18.5302 kJ/mol # Calculated enthalpy of reaction CdSO4:2.667H2O
-# Enthalpy of formation: -1729.3 kJ/mol
- -analytic -5.0331e+001 -1.4983e-002 2.0271e+003 1.8665e+001 3.4440e+001
-# -Range: 0-200
-
-CdSO4:H2O
- CdSO4:H2O = + 1.0000 Cd++ + 1.0000 H2O + 1.0000 SO4--
- log_k -1.6529
- -delta_H -31.6537 kJ/mol # Calculated enthalpy of reaction CdSO4:H2O
-# Enthalpy of formation: -1239.68 kJ/mol
- -analytic -1.7142e+001 -1.7295e-002 9.9184e+002 6.9943e+000 1.6849e+001
-# -Range: 0-200
-
-CdSeO3
- CdSeO3 = + 1.0000 Cd++ + 1.0000 SeO3--
- log_k -8.8086
- -delta_H -9.92156 kJ/mol # Calculated enthalpy of reaction CdSeO3
-# Enthalpy of formation: -575.169 kJ/mol
- -analytic 7.1762e+000 -1.8892e-002 -1.4680e+003 -2.1984e+000 -2.4932e+001
-# -Range: 0-200
-
-CdSeO4
- CdSeO4 = + 1.0000 Cd++ + 1.0000 SeO4--
- log_k -2.2132
- -delta_H -41.9836 kJ/mol # Calculated enthalpy of reaction CdSeO4
-# Enthalpy of formation: -633.063 kJ/mol
- -analytic -4.9901e+000 -1.9755e-002 7.3162e+002 2.5063e+000 1.2426e+001
-# -Range: 0-200
-
-CdSiO3
- CdSiO3 +2.0000 H+ = + 1.0000 Cd++ + 1.0000 H2O + 1.0000 SiO2
- log_k 7.5136
- -delta_H -50.3427 kJ/mol # Calculated enthalpy of reaction CdSiO3
-# Enthalpy of formation: -1189.09 kJ/mol
- -analytic 2.6419e+002 6.2488e-002 -5.3518e+003 -1.0401e+002 -9.0973e+001
-# -Range: 0-200
-
-Ce
- Ce +3.0000 H+ +0.7500 O2 = + 1.0000 Ce+++ + 1.5000 H2O
- log_k 182.9563
- -delta_H -1120.06 kJ/mol # Calculated enthalpy of reaction Ce
-# Enthalpy of formation: 0 kJ/mol
- -analytic -5.1017e+001 -2.6149e-002 5.8511e+004 1.8382e+001 9.1302e+002
-# -Range: 0-300
-
-Ce(OH)3
- Ce(OH)3 +3.0000 H+ = + 1.0000 Ce+++ + 3.0000 H2O
- log_k 19.8852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(OH)3
-# Enthalpy of formation: 0 kcal/mol
-
-Ce(OH)3(am)
- Ce(OH)3 +3.0000 H+ = + 1.0000 Ce+++ + 3.0000 H2O
- log_k 21.1852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(OH)3(am)
-# Enthalpy of formation: 0 kcal/mol
-
-Ce2(CO3)3:8H2O
- Ce2(CO3)3:8H2O +3.0000 H+ = + 2.0000 Ce+++ + 3.0000 HCO3- + 8.0000 H2O
- log_k -4.1136
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ce2(CO3)3:8H2O
-# Enthalpy of formation: 0 kcal/mol
-
-Ce2O3
- Ce2O3 +6.0000 H+ = + 2.0000 Ce+++ + 3.0000 H2O
- log_k 62.3000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ce2O3
-# Enthalpy of formation: 0 kcal/mol
-
-Ce3(PO4)4
- Ce3(PO4)4 +4.0000 H+ = + 3.0000 Ce++++ + 4.0000 HPO4--
- log_k -40.8127
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ce3(PO4)4
-# Enthalpy of formation: 0 kcal/mol
-
-CeF3:.5H2O
- CeF3:.5H2O = + 0.5000 H2O + 1.0000 Ce+++ + 3.0000 F-
- log_k -18.8000
- -delta_H 0 # Not possible to calculate enthalpy of reaction CeF3:.5H2O
-# Enthalpy of formation: 0 kcal/mol
-
-CeO2
- CeO2 +4.0000 H+ = + 1.0000 Ce++++ + 2.0000 H2O
- log_k -8.1600
- -delta_H 0 # Not possible to calculate enthalpy of reaction CeO2
-# Enthalpy of formation: 0 kcal/mol
-
-CePO4:10H2O
- CePO4:10H2O +1.0000 H+ = + 1.0000 Ce+++ + 1.0000 HPO4-- + 10.0000 H2O
- log_k -12.2782
- -delta_H 0 # Not possible to calculate enthalpy of reaction CePO4:10H2O
-# Enthalpy of formation: 0 kcal/mol
-
-Celadonite
- KMgAlSi4O10(OH)2 +6.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 1.0000 Mg++ + 4.0000 H2O + 4.0000 SiO2
- log_k 7.4575
- -delta_H -74.3957 kJ/mol # Calculated enthalpy of reaction Celadonite
-# Enthalpy of formation: -1394.9 kcal/mol
- -analytic -3.3097e+001 1.7989e-002 1.8919e+004 -2.1219e+000 -2.0588e+006
-# -Range: 0-300
-
-Celestite
- SrSO4 = + 1.0000 SO4-- + 1.0000 Sr++
- log_k -5.6771
- -delta_H -7.40568 kJ/mol # Calculated enthalpy of reaction Celestite
-# Enthalpy of formation: -347.3 kcal/mol
- -analytic -1.9063e+002 -7.4552e-002 3.9050e+003 7.8416e+001 6.0991e+001
-# -Range: 0-300
-
-Cerussite
- PbCO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Pb++
- log_k -3.2091
- -delta_H 13.8992 kJ/mol # Calculated enthalpy of reaction Cerussite
-# Enthalpy of formation: -168 kcal/mol
- -analytic -1.2887e+002 -4.4372e-002 2.2336e+003 5.3091e+001 3.4891e+001
-# -Range: 0-300
-
-Chalcanthite
- CuSO4:5H2O = + 1.0000 Cu++ + 1.0000 SO4-- + 5.0000 H2O
- log_k -2.6215
- -delta_H 6.57556 kJ/mol # Calculated enthalpy of reaction Chalcanthite
-# Enthalpy of formation: -2279.68 kJ/mol
- -analytic -1.1262e+002 -1.5544e-002 3.6176e+003 4.1420e+001 6.1471e+001
-# -Range: 0-200
-
-Chalcedony
- SiO2 = + 1.0000 SiO2
- log_k -3.7281
- -delta_H 31.4093 kJ/mol # Calculated enthalpy of reaction Chalcedony
-# Enthalpy of formation: -217.282 kcal/mol
- -analytic -9.0068e+000 9.3241e-003 4.0535e+003 -1.0830e+000 -7.5077e+005
-# -Range: 0-300
-
-Chalcocite
- Cu2S +1.0000 H+ = + 1.0000 HS- + 2.0000 Cu+
- log_k -34.7342
- -delta_H 206.748 kJ/mol # Calculated enthalpy of reaction Chalcocite
-# Enthalpy of formation: -19 kcal/mol
- -analytic -1.3703e+002 -4.0727e-002 -7.1694e+003 5.5963e+001 -1.1183e+002
-# -Range: 0-300
-
-Chalcocyanite
- CuSO4 = + 1.0000 Cu++ + 1.0000 SO4--
- log_k 2.9239
- -delta_H -72.5128 kJ/mol # Calculated enthalpy of reaction Chalcocyanite
-# Enthalpy of formation: -771.4 kJ/mol
- -analytic 5.8173e+000 -1.6933e-002 2.0097e+003 -1.8583e+000 3.4126e+001
-# -Range: 0-200
-
-Chalcopyrite
- CuFeS2 +2.0000 H+ = + 1.0000 Cu++ + 1.0000 Fe++ + 2.0000 HS-
- log_k -32.5638
- -delta_H 127.206 kJ/mol # Calculated enthalpy of reaction Chalcopyrite
-# Enthalpy of formation: -44.453 kcal/mol
- -analytic -3.1575e+002 -9.8947e-002 8.3400e+002 1.2522e+002 1.3106e+001
-# -Range: 0-300
-
-Chamosite-7A
- Fe2Al2SiO5(OH)4 +10.0000 H+ = + 1.0000 SiO2 + 2.0000 Al+++ + 2.0000 Fe++ + 7.0000 H2O
- log_k 32.8416
- -delta_H -364.213 kJ/mol # Calculated enthalpy of reaction Chamosite-7A
-# Enthalpy of formation: -902.407 kcal/mol
- -analytic -2.5581e+002 -7.0890e-002 2.4619e+004 9.1789e+001 3.8424e+002
-# -Range: 0-300
-
-Chlorargyrite
- AgCl = + 1.0000 Ag+ + 1.0000 Cl-
- log_k -9.7453
- -delta_H 65.739 kJ/mol # Calculated enthalpy of reaction Chlorargyrite
-# Enthalpy of formation: -30.37 kcal/mol
- -analytic -9.6834e+001 -3.4624e-002 -1.1820e+003 4.0962e+001 -1.8415e+001
-# -Range: 0-300
-
-Chloromagnesite
- MgCl2 = + 1.0000 Mg++ + 2.0000 Cl-
- log_k 21.8604
- -delta_H -158.802 kJ/mol # Calculated enthalpy of reaction Chloromagnesite
-# Enthalpy of formation: -641.317 kJ/mol
- -analytic -2.3640e+002 -8.2017e-002 1.3480e+004 9.5963e+001 2.1042e+002
-# -Range: 0-300
-
-Chromite
- FeCr2O4 +8.0000 H+ = + 1.0000 Fe++ + 2.0000 Cr+++ + 4.0000 H2O
- log_k 15.1685
- -delta_H -267.755 kJ/mol # Calculated enthalpy of reaction Chromite
-# Enthalpy of formation: -1444.83 kJ/mol
- -analytic -1.9060e+002 -2.5695e-002 1.9465e+004 5.9865e+001 3.0379e+002
-# -Range: 0-300
-
-Chrysocolla
- CuSiH4O5 +2.0000 H+ = + 1.0000 Cu++ + 1.0000 SiO2 + 3.0000 H2O
- log_k 6.2142
- -delta_H 0 # Not possible to calculate enthalpy of reaction Chrysocolla
-# Enthalpy of formation: 0 kcal/mol
-
-Chrysotile
- Mg3Si2O5(OH)4 +6.0000 H+ = + 2.0000 SiO2 + 3.0000 Mg++ + 5.0000 H2O
- log_k 31.1254
- -delta_H -218.041 kJ/mol # Calculated enthalpy of reaction Chrysotile
-# Enthalpy of formation: -1043.12 kcal/mol
- -analytic -9.2462e+001 -1.1359e-002 1.8312e+004 2.9289e+001 -6.2342e+005
-# -Range: 0-300
-
-Cinnabar
- HgS +1.0000 H+ = + 1.0000 HS- + 1.0000 Hg++
- log_k -38.9666
- -delta_H 207.401 kJ/mol # Calculated enthalpy of reaction Cinnabar
-# Enthalpy of formation: -12.75 kcal/mol
- -analytic -1.5413e+002 -4.6846e-002 -6.9806e+003 6.1639e+001 -1.0888e+002
-# -Range: 0-300
-
-Claudetite
- As2O3 +3.0000 H2O = + 2.0000 H+ + 2.0000 H2AsO3-
- log_k -19.7647
- -delta_H 82.3699 kJ/mol # Calculated enthalpy of reaction Claudetite
-# Enthalpy of formation: -654.444 kJ/mol
- -analytic -1.4164e+002 -6.3704e-002 -2.1679e+003 5.9856e+001 -3.3787e+001
-# -Range: 0-300
-
-Clausthalite
- PbSe = + 1.0000 Pb++ + 1.0000 Se--
- log_k -36.2531
- -delta_H 0 # Not possible to calculate enthalpy of reaction Clausthalite
-# Enthalpy of formation: -102.9 kJ/mol
- -analytic -2.6473e+001 -1.0666e-002 -8.5540e+003 8.9226e+000 -1.3347e+002
-# -Range: 0-300
-
-Clinochalcomenite
- CuSeO3:2H2O = + 1.0000 Cu++ + 1.0000 SeO3-- + 2.0000 H2O
- log_k -6.7873
- -delta_H -31.6645 kJ/mol # Calculated enthalpy of reaction Clinochalcomenite
-# Enthalpy of formation: -235.066 kcal/mol
- -analytic -4.6465e+001 -1.8071e-002 2.0307e+003 1.5455e+001 3.4499e+001
-# -Range: 0-200
-
-Clinochlore-14A
- Mg5Al2Si3O10(OH)8 +16.0000 H+ = + 2.0000 Al+++ + 3.0000 SiO2 + 5.0000 Mg++ + 12.0000 H2O
- log_k 67.2391
- -delta_H -612.379 kJ/mol # Calculated enthalpy of reaction Clinochlore-14A
-# Enthalpy of formation: -2116.96 kcal/mol
- -analytic -2.0441e+002 -6.2268e-002 3.5388e+004 6.9239e+001 5.5225e+002
-# -Range: 0-300
-
-Clinochlore-7A
- Mg5Al2Si3O10(OH)8 +16.0000 H+ = + 2.0000 Al+++ + 3.0000 SiO2 + 5.0000 Mg++ + 12.0000 H2O
- log_k 70.6124
- -delta_H -628.14 kJ/mol # Calculated enthalpy of reaction Clinochlore-7A
-# Enthalpy of formation: -2113.2 kcal/mol
- -analytic -2.1644e+002 -6.4187e-002 3.6548e+004 7.4123e+001 5.7037e+002
-# -Range: 0-300
-
-Clinoptilolite
-# Na.954K.543Ca.761Mg.124Sr.036Ba.062Mn.002Al3.45F +13.8680 H+ = + 0.0020 Mn++ + 0.0170 Fe+++ + 0.0360 Sr++ + 0.0620 Ba++ + 0.1240 Mg++ + 0.5430 K+ + 0.7610 Ca++ + 0.9540 Na+ + 3.4500 Al+++ + 14.5330 SiO2 17.8560 H2O
- Na.954K.543Ca.761Mg.124Sr.036Ba.062Mn.002Al3.45Fe.017Si14.5330O46.922H21.844 +13.8680 H+ = + 0.0020 Mn++ + 0.0170 Fe+++ + 0.0360 Sr++ + 0.0620 Ba++ + 0.1240 Mg++ + 0.5430 K+ + 0.7610 Ca++ + 0.9540 Na+ + 3.4500 Al+++ + 14.5330 SiO2 + 17.8560 H2O
- log_k -9.7861
- -delta_H -20.8784 kJ/mol # Calculated enthalpy of reaction Clinoptilolite
-# Enthalpy of formation: -20587.8 kJ/mol
- -analytic -1.3213e+000 6.4960e-002 5.0630e+004 -4.6120e+001 -7.4699e+006
-# -Range: 0-300
-
-Clinoptilolite-Ca
- Ca1.7335Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Ca++ + 3.4500 Al+++ + 14.5330 SiO2 + 17.8560 H2O
- log_k -7.0095
- -delta_H -74.6745 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-Ca
-# Enthalpy of formation: -4919.84 kcal/mol
- -analytic -4.4820e+001 5.3696e-002 5.4878e+004 -3.1459e+001 -7.5491e+006
-# -Range: 0-300
-
-Clinoptilolite-Cs
- Cs3.467Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Cs+ + 14.5330 SiO2 + 17.8560 H2O
- log_k -13.0578
- -delta_H 96.9005 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-Cs
-# Enthalpy of formation: -4949.65 kcal/mol
- -analytic -8.4746e+000 7.1997e-002 4.9675e+004 -4.1406e+001 -8.0632e+006
-# -Range: 0-300
-
-Clinoptilolite-K
- K3.467Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 K+ + 14.5330 SiO2 + 17.8560 H2O
- log_k -10.9485
- -delta_H 67.4862 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-K
-# Enthalpy of formation: -4937.77 kcal/mol
- -analytic 1.1697e+001 6.9480e-002 4.7718e+004 -4.7442e+001 -7.6907e+006
-# -Range: 0-300
-
-Clinoptilolite-NH4
- (NH4)3.467Al3.45Fe.017Si14.533O36:10.922H2O +10.4010 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 NH3 + 14.5330 SiO2 + 17.8560 H2O
- log_k -42.4791
- -delta_H 0 # Not possible to calculate enthalpy of reaction Clinoptilolite-NH4
-# Enthalpy of formation: 0 kcal/mol
-
-Clinoptilolite-Na
- Na3.467Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Na+ + 14.5330 SiO2 + 17.8560 H2O
- log_k -7.1363
- -delta_H 2.32824 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-Na
-# Enthalpy of formation: -4912.36 kcal/mol
- -analytic -3.4572e+001 6.8377e-002 5.1962e+004 -3.3426e+001 -7.5586e+006
-# -Range: 0-300
-
-Clinoptilolite-Sr
- Sr1.7335Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Sr++ + 3.4500 Al+++ + 14.5330 SiO2 + 17.8560 H2O
- log_k -7.1491
- -delta_H -66.2129 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-Sr
-# Enthalpy of formation: -4925.1 kcal/mol
- -analytic 3.2274e+001 6.7050e-002 5.0880e+004 -5.9597e+001 -7.3876e+006
-# -Range: 0-300
-
-Clinoptilolite-dehy
-# Sr.036Mg.124Ca.761Mn.002Ba.062K.543Na.954Al3.45F +13.8680 H+ = + 0.0020 Mn++ + 0.0170 Fe+++ + 0.0360 Sr++ + 0.0620 Ba++ + 0.1240 Mg++ + 0.5430 K+ + 0.7610 Ca++ + 0.9540 Na+ + 3.4500 Al+++ + 6.9340 H2O 14.5330 SiO2
- Sr.036Mg.124Ca.761Mn.002Ba.062K.543Na.954Al3.45Fe.017Si14.533O36 +13.8680 H+ = + 0.0020 Mn++ + 0.0170 Fe+++ + 0.0360 Sr++ + 0.0620 Ba++ + 0.1240 Mg++ + 0.5430 K+ + 0.7610 Ca++ + 0.9540 Na+ + 3.4500 Al+++ + 6.9340 H2O + 14.5330 SiO2
- log_k 25.8490
- -delta_H -276.592 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy
-# Enthalpy of formation: -17210.2 kJ/mol
- -analytic -2.0505e+002 6.0155e-002 8.2682e+004 1.5333e+001 -9.1369e+006
-# -Range: 0-300
-
-Clinoptilolite-dehy-Ca
- Ca1.7335Al3.45Fe.017Si14.533O36 +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Ca++ + 3.4500 Al+++ + 6.9340 H2O + 14.5330 SiO2
- log_k 28.6255
- -delta_H -329.278 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-Ca
-# Enthalpy of formation: -4112.83 kcal/mol
- -analytic -1.2948e+002 6.5698e-002 8.0229e+004 -1.2812e+001 -8.8320e+006
-# -Range: 0-300
-
-Clinoptilolite-dehy-Cs
- Cs3.467Al3.45Fe.017Si14.533O36 +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Cs+ + 6.9340 H2O + 14.5330 SiO2
- log_k 22.5771
- -delta_H -164.837 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-Cs
-# Enthalpy of formation: -4140.93 kcal/mol
- -analytic -1.2852e+002 7.9047e-002 7.7262e+004 -1.0422e+001 -9.4504e+006
-# -Range: 0-300
-
-Clinoptilolite-dehy-K
- K3.467Al3.45Fe.017Si14.533O36 +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 K+ + 6.9340 H2O + 14.5330 SiO2
- log_k 24.6865
- -delta_H -191.289 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-K
-# Enthalpy of formation: -4129.76 kcal/mol
- -analytic -1.2241e+002 7.4761e-002 7.6067e+004 -1.1315e+001 -9.1389e+006
-# -Range: 0-300
-
-Clinoptilolite-dehy-NH4
- (NH4)3.467Al3.45Fe.017Si14.533O36 +10.4010 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 NH3 + 6.9340 H2O + 14.5330 SiO2
- log_k -6.8441
- -delta_H 0 # Not possible to calculate enthalpy of reaction Clinoptilolite-dehy-NH4
-# Enthalpy of formation: 0 kcal/mol
-
-Clinoptilolite-dehy-Na
- Na3.467Al3.45Fe.017Si14.533O36 +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Na+ + 6.9340 H2O + 14.5330 SiO2
- log_k 28.4987
- -delta_H -253.798 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-Na
-# Enthalpy of formation: -4104.98 kcal/mol
- -analytic -1.4386e+002 7.6846e-002 7.8723e+004 -5.9741e+000 -8.9159e+006
-# -Range: 0-300
-
-Clinoptilolite-dehy-Sr
- Sr1.7335Al3.45Fe.017Si14.533O36 +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Sr++ + 3.4500 Al+++ + 6.9340 H2O + 14.5330 SiO2
- log_k 28.4859
- -delta_H -321.553 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-Sr
-# Enthalpy of formation: -4117.92 kcal/mol
- -analytic -1.8410e+002 6.0457e-002 8.3626e+004 6.4304e+000 -9.0962e+006
-# -Range: 0-300
-
-Clinoptilolite-hy-Ca
-# Ca1.7335Al3.45Fe.017Si14.533036 +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Ca++ + 3.4500 Al+++ + 14.5330 SiO2 + 18.5790 H2O
- Ca1.7335Al3.45Fe.017Si14.533O36:11.645H2O +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Ca++ + 3.4500 Al+++ + 14.5330 SiO2 + 18.5790 H2O
- log_k -7.0108
- -delta_H -65.4496 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-Ca
-# Enthalpy of formation: -4971.44 kcal/mol
- -analytic 8.6833e+001 7.1520e-002 4.6854e+004 -7.8023e+001 -7.0900e+006
-# -Range: 0-300
-
-Clinoptilolite-hy-Cs
-# Cs3.467Al3.45Fe.017Si14.533036 +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Cs+ + 13.1640 H2O + 14.5330 SiO2
- Cs3.467Al3.45Fe.017Si14.533O36:6.23H2O +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Cs+ + 13.1640 H2O + 14.5330 SiO2
- log_k -13.0621
- -delta_H 44.6397 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-Cs
-# Enthalpy of formation: -4616.61 kcal/mol
- -analytic -2.3362e+001 7.4922e-002 5.4544e+004 -4.1092e+001 -8.3387e+006
-# -Range: 0-300
-
-Clinoptilolite-hy-K
-# K3.467Al3.45Fe.017Si14.533036 +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 K+ + 14.4330 H2O + 14.5330 SiO2
- K3.467Al3.45Fe.017Si14.533O36:7.499H2O +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 K+ + 14.4330 H2O + 14.5330 SiO2
- log_k -10.9523
- -delta_H 29.5879 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-K
-# Enthalpy of formation: -4694.86 kcal/mol
- -analytic 1.6223e+001 7.3919e-002 5.0447e+004 -5.2790e+001 -7.8484e+006
-# -Range: 0-300
-
-Clinoptilolite-hy-Na
-# Na3.467Al3.45Fe.017Si14.533036 +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Na+ + 14.5330 SiO2 + 17.8110 H2O
- Na3.467Al3.45Fe.017Si14.533O36:10.877H2O +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Na+ + 14.5330 SiO2 + 17.8110 H2O
- log_k -7.1384
- -delta_H 1.88166 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-Na
-# Enthalpy of formation: -4909.18 kcal/mol
- -analytic -8.4189e+000 7.2018e-002 5.0501e+004 -4.2851e+001 -7.4714e+006
-# -Range: 0-300
-
-Clinoptilolite-hy-Sr
-# Sr1.7335Al3.45Fe.017Si14.533036 +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Sr++ + 3.4500 Al+++ + 14.5330 SiO2 + 20.8270 H2O
- Sr1.7335Al3.45Fe.017Si14.533O36:13.893H2O +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Sr++ + 3.4500 Al+++ + 14.5330 SiO2 + 20.8270 H2O
- log_k -7.1498
- -delta_H -31.6858 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-Sr
-# Enthalpy of formation: -5136.33 kcal/mol
- -analytic 1.0742e-001 5.9065e-002 4.9985e+004 -4.4648e+001 -7.3382e+006
-# -Range: 0-300
-
-Clinozoisite
- Ca2Al3Si3O12(OH) +13.0000 H+ = + 2.0000 Ca++ + 3.0000 Al+++ + 3.0000 SiO2 + 7.0000 H2O
- log_k 43.2569
- -delta_H -457.755 kJ/mol # Calculated enthalpy of reaction Clinozoisite
-# Enthalpy of formation: -1643.78 kcal/mol
- -analytic -2.8690e+001 -3.7056e-002 2.2770e+004 3.7880e+000 -2.5834e+005
-# -Range: 0-300
-
-Co
- Co +2.0000 H+ +0.5000 O2 = + 1.0000 Co++ + 1.0000 H2O
- log_k 52.5307
- -delta_H -337.929 kJ/mol # Calculated enthalpy of reaction Co
-# Enthalpy of formation: 0 kJ/mol
- -analytic -6.2703e+001 -2.0172e-002 1.8888e+004 2.3391e+001 2.9474e+002
-# -Range: 0-300
-
-Co(NO3)2
- Co(NO3)2 = + 1.0000 Co++ + 2.0000 NO3-
- log_k 8.0000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Co(NO3)2
-# Enthalpy of formation: 0 kcal/mol
-
-Co(OH)2
- Co(OH)2 +2.0000 H+ = + 1.0000 Co++ + 2.0000 H2O
- log_k 12.3000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Co(OH)2
-# Enthalpy of formation: 0 kcal/mol
-
-Co2SiO4
- Co2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 Co++ + 2.0000 H2O
- log_k 6.6808
- -delta_H -88.6924 kJ/mol # Calculated enthalpy of reaction Co2SiO4
-# Enthalpy of formation: -353.011 kcal/mol
- -analytic -3.9978e+000 -3.7985e-003 5.1554e+003 -1.5033e+000 -1.6100e+005
-# -Range: 0-300
-
-Co3(AsO4)2
- Co3(AsO4)2 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 Co++
- log_k 8.5318
- -delta_H 0 # Not possible to calculate enthalpy of reaction Co3(AsO4)2
-# Enthalpy of formation: 0 kcal/mol
-
-Co3(PO4)2
- Co3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Co++
- log_k -10.0123
- -delta_H 0 # Not possible to calculate enthalpy of reaction Co3(PO4)2
-# Enthalpy of formation: 0 kcal/mol
-
-CoCl2
- CoCl2 = + 1.0000 Co++ + 2.0000 Cl-
- log_k 8.2641
- -delta_H -79.5949 kJ/mol # Calculated enthalpy of reaction CoCl2
-# Enthalpy of formation: -312.722 kJ/mol
- -analytic -2.2386e+002 -8.0936e-002 8.8631e+003 9.1528e+001 1.3837e+002
-# -Range: 0-300
-
-CoCl2:2H2O
- CoCl2:2H2O = + 1.0000 Co++ + 2.0000 Cl- + 2.0000 H2O
- log_k 4.6661
- -delta_H -40.7876 kJ/mol # Calculated enthalpy of reaction CoCl2:2H2O
-# Enthalpy of formation: -923.206 kJ/mol
- -analytic -5.6411e+001 -2.3390e-002 3.0519e+003 2.3361e+001 5.1845e+001
-# -Range: 0-200
-
-CoCl2:6H2O
- CoCl2:6H2O = + 1.0000 Co++ + 2.0000 Cl- + 6.0000 H2O
- log_k 2.6033
- -delta_H 8.32709 kJ/mol # Calculated enthalpy of reaction CoCl2:6H2O
-# Enthalpy of formation: -2115.67 kJ/mol
- -analytic -1.5066e+002 -2.2132e-002 5.0591e+003 5.7743e+001 8.5962e+001
-# -Range: 0-200
-
-CoF2
- CoF2 = + 1.0000 Co++ + 2.0000 F-
- log_k -5.1343
- -delta_H -36.6708 kJ/mol # Calculated enthalpy of reaction CoF2
-# Enthalpy of formation: -692.182 kJ/mol
- -analytic -2.5667e+002 -8.4071e-002 7.6256e+003 1.0143e+002 1.1907e+002
-# -Range: 0-300
-
-CoF3
- CoF3 = + 1.0000 Co+++ + 3.0000 F-
- log_k -4.9558
- -delta_H -103.136 kJ/mol # Calculated enthalpy of reaction CoF3
-# Enthalpy of formation: -193.8 kcal/mol
- -analytic -3.7854e+002 -1.2911e-001 1.3215e+004 1.4859e+002 2.0632e+002
-# -Range: 0-300
-
-CoFe2O4
- CoFe2O4 +8.0000 H+ = + 1.0000 Co++ + 2.0000 Fe+++ + 4.0000 H2O
- log_k 0.8729
- -delta_H -160.674 kJ/mol # Calculated enthalpy of reaction CoFe2O4
-# Enthalpy of formation: -272.466 kcal/mol
- -analytic -3.0149e+002 -7.9159e-002 1.5683e+004 1.1046e+002 2.4480e+002
-# -Range: 0-300
-
-CoHPO4
- CoHPO4 = + 1.0000 Co++ + 1.0000 HPO4--
- log_k -6.7223
- -delta_H 0 # Not possible to calculate enthalpy of reaction CoHPO4
-# Enthalpy of formation: 0 kcal/mol
-
-CoO
- CoO +2.0000 H+ = + 1.0000 Co++ + 1.0000 H2O
- log_k 13.5553
- -delta_H -106.05 kJ/mol # Calculated enthalpy of reaction CoO
-# Enthalpy of formation: -237.946 kJ/mol
- -analytic -8.4424e+001 -1.9457e-002 7.8616e+003 3.1281e+001 1.2270e+002
-# -Range: 0-300
-
-CoS
- CoS +1.0000 H+ = + 1.0000 Co++ + 1.0000 HS-
- log_k -7.3740
- -delta_H 10.1755 kJ/mol # Calculated enthalpy of reaction CoS
-# Enthalpy of formation: -20.182 kcal/mol
- -analytic -1.5128e+002 -4.8484e-002 2.9553e+003 5.9983e+001 4.6158e+001
-# -Range: 0-300
-
-CoSO4
- CoSO4 = + 1.0000 Co++ + 1.0000 SO4--
- log_k 2.8996
- -delta_H -79.7952 kJ/mol # Calculated enthalpy of reaction CoSO4
-# Enthalpy of formation: -887.964 kJ/mol
- -analytic -1.9907e+002 -7.7890e-002 7.7193e+003 8.0525e+001 1.2051e+002
-# -Range: 0-300
-
-CoSO4.3Co(OH)2
- CoSO4(Co(OH)2)3 +6.0000 H+ = + 1.0000 SO4-- + 4.0000 Co++ + 6.0000 H2O
- log_k 33.2193
- -delta_H -379.41 kJ/mol # Calculated enthalpy of reaction CoSO4.3Co(OH)2
-# Enthalpy of formation: -2477.85 kJ/mol
- -analytic -2.2830e+002 -4.0197e-002 2.5937e+004 7.5367e+001 4.4053e+002
-# -Range: 0-200
-
-CoSO4:6H2O
- CoSO4:6H2O = + 1.0000 Co++ + 1.0000 SO4-- + 6.0000 H2O
- log_k -2.3512
- -delta_H 1.08483 kJ/mol # Calculated enthalpy of reaction CoSO4:6H2O
-# Enthalpy of formation: -2683.87 kJ/mol
- -analytic -2.5469e+002 -7.3092e-002 6.6767e+003 1.0172e+002 1.0426e+002
-# -Range: 0-300
-
-CoSO4:H2O
- CoSO4:H2O = + 1.0000 Co++ + 1.0000 H2O + 1.0000 SO4--
- log_k -1.2111
- -delta_H -52.6556 kJ/mol # Calculated enthalpy of reaction CoSO4:H2O
-# Enthalpy of formation: -287.032 kcal/mol
- -analytic -1.0570e+001 -1.6196e-002 1.7180e+003 3.4000e+000 2.9178e+001
-# -Range: 0-200
-
-CoSeO3
- CoSeO3 = + 1.0000 Co++ + 1.0000 SeO3--
- log_k -7.0800
- -delta_H 0 # Not possible to calculate enthalpy of reaction CoSeO3
-# Enthalpy of formation: 0 kcal/mol
-
-CoWO4
- CoWO4 = + 1.0000 Co++ + 1.0000 WO4--
- log_k -12.2779
- -delta_H 13.6231 kJ/mol # Calculated enthalpy of reaction CoWO4
-# Enthalpy of formation: -274.256 kcal/mol
- -analytic -3.7731e+001 -2.4719e-002 -1.0347e+003 1.4663e+001 -1.7558e+001
-# -Range: 0-200
-
-Coesite
- SiO2 = + 1.0000 SiO2
- log_k -3.1893
- -delta_H 28.6144 kJ/mol # Calculated enthalpy of reaction Coesite
-# Enthalpy of formation: -216.614 kcal/mol
- -analytic -9.7312e+000 9.1773e-003 4.2143e+003 -7.8065e-001 -7.4905e+005
-# -Range: 0-300
-
-Coffinite
- USiO4 +4.0000 H+ = + 1.0000 SiO2 + 1.0000 U++++ + 2.0000 H2O
- log_k -8.0530
- -delta_H -49.2493 kJ/mol # Calculated enthalpy of reaction Coffinite
-# Enthalpy of formation: -1991.33 kJ/mol
- -analytic 2.3126e+002 6.2389e-002 -4.6189e+003 -9.7976e+001 -7.8517e+001
-# -Range: 0-200
-
-Colemanite
- Ca2B6O11:5H2O +4.0000 H+ +2.0000 H2O = + 2.0000 Ca++ + 6.0000 B(OH)3
- log_k 21.5148
- -delta_H 0 # Not possible to calculate enthalpy of reaction Colemanite
-# Enthalpy of formation: 0 kcal/mol
-
-Cordierite_anhyd
- Mg2Al4Si5O18 +16.0000 H+ = + 2.0000 Mg++ + 4.0000 Al+++ + 5.0000 SiO2 + 8.0000 H2O
- log_k 52.3035
- -delta_H -626.219 kJ/mol # Calculated enthalpy of reaction Cordierite_anhyd
-# Enthalpy of formation: -2183.2 kcal/mol
- -analytic 2.6562e+000 -2.3801e-002 3.5192e+004 -1.9911e+001 -1.0894e+006
-# -Range: 0-300
-
-Cordierite_hydr
- Mg2Al4Si5O18:H2O +16.0000 H+ = + 2.0000 Mg++ + 4.0000 Al+++ + 5.0000 SiO2 + 9.0000 H2O
- log_k 49.8235
- -delta_H -608.814 kJ/mol # Calculated enthalpy of reaction Cordierite_hydr
-# Enthalpy of formation: -2255.68 kcal/mol
- -analytic -1.2985e+002 -4.1335e-002 4.1566e+004 2.7892e+001 -1.4819e+006
-# -Range: 0-300
-
-Corkite
- PbFe3(PO4)(SO4)(OH)6 +7.0000 H+ = + 1.0000 HPO4-- + 1.0000 Pb++ + 1.0000 SO4-- + 3.0000 Fe+++ + 6.0000 H2O
- log_k -9.7951
- -delta_H 0 # Not possible to calculate enthalpy of reaction Corkite
-# Enthalpy of formation: 0 kcal/mol
-
-Corundum
- Al2O3 +6.0000 H+ = + 2.0000 Al+++ + 3.0000 H2O
- log_k 18.3121
- -delta_H -258.626 kJ/mol # Calculated enthalpy of reaction Corundum
-# Enthalpy of formation: -400.5 kcal/mol
- -analytic -1.4278e+002 -7.8519e-002 1.3776e+004 5.5881e+001 2.1501e+002
-# -Range: 0-300
-
-Cotunnite
- PbCl2 = + 1.0000 Pb++ + 2.0000 Cl-
- log_k -4.8406
- -delta_H 26.1441 kJ/mol # Calculated enthalpy of reaction Cotunnite
-# Enthalpy of formation: -359.383 kJ/mol
- -analytic 1.9624e+001 -1.9161e-002 -3.4686e+003 -2.8806e+000 -5.8909e+001
-# -Range: 0-200
-
-Covellite
- CuS +1.0000 H+ = + 1.0000 Cu++ + 1.0000 HS-
- log_k -22.8310
- -delta_H 101.88 kJ/mol # Calculated enthalpy of reaction Covellite
-# Enthalpy of formation: -12.5 kcal/mol
- -analytic -1.6068e+002 -4.9040e-002 -1.4234e+003 6.3536e+001 -2.2164e+001
-# -Range: 0-300
-
-Cr
- Cr +3.0000 H+ +0.7500 O2 = + 1.0000 Cr+++ + 1.5000 H2O
- log_k 98.6784
- -delta_H -658.145 kJ/mol # Calculated enthalpy of reaction Cr
-# Enthalpy of formation: 0 kJ/mol
- -analytic -2.2488e+001 -5.5886e-003 3.4288e+004 3.1585e+000 5.3503e+002
-# -Range: 0-300
-
-CrCl3
- CrCl3 = + 1.0000 Cr+++ + 3.0000 Cl-
- log_k 17.9728
- -delta_H -183.227 kJ/mol # Calculated enthalpy of reaction CrCl3
-# Enthalpy of formation: -556.5 kJ/mol
- -analytic -2.6348e+002 -9.5339e-002 1.4785e+004 1.0517e+002 2.3079e+002
-# -Range: 0-300
-
-CrF3
- CrF3 = + 1.0000 Cr+++ + 3.0000 F-
- log_k -8.5713
- -delta_H -85.5293 kJ/mol # Calculated enthalpy of reaction CrF3
-# Enthalpy of formation: -277.008 kcal/mol
- -analytic -3.2175e+002 -1.0279e-001 1.1394e+004 1.2348e+002 1.7789e+002
-# -Range: 0-300
-
-CrF4
- CrF4 +2.0000 H2O = + 0.5000 Cr++ + 0.5000 CrO4-- + 4.0000 F- + 4.0000 H+
- log_k -12.3132
- -delta_H -35.2125 kJ/mol # Calculated enthalpy of reaction CrF4
-# Enthalpy of formation: -298 kcal/mol
- -analytic 4.3136e+001 -4.3783e-002 -3.6809e+003 -1.2153e+001 -6.2521e+001
-# -Range: 0-200
-
-CrI3
- CrI3 = + 1.0000 Cr+++ + 3.0000 I-
- log_k 25.6112
- -delta_H -204.179 kJ/mol # Calculated enthalpy of reaction CrI3
-# Enthalpy of formation: -49 kcal/mol
- -analytic 4.9232e+000 -2.5164e-002 8.4026e+003 0.0000e+000 0.0000e+000
-# -Range: 0-200
-
-CrO2
- CrO2 = + 0.5000 Cr++ + 0.5000 CrO4--
- log_k -19.1332
- -delta_H 85.9812 kJ/mol # Calculated enthalpy of reaction CrO2
-# Enthalpy of formation: -143 kcal/mol
- -analytic 2.7763e+000 -7.7698e-003 -5.2893e+003 -7.4970e-001 -8.9821e+001
-# -Range: 0-200
-
-CrO3
- CrO3 +1.0000 H2O = + 1.0000 CrO4-- + 2.0000 H+
- log_k -3.5221
- -delta_H -5.78647 kJ/mol # Calculated enthalpy of reaction CrO3
-# Enthalpy of formation: -140.9 kcal/mol
- -analytic -1.3262e+002 -6.1411e-002 2.2083e+003 5.6564e+001 3.4497e+001
-# -Range: 0-300
-
-CrS
- CrS +1.0000 H+ = + 1.0000 Cr++ + 1.0000 HS-
- log_k -0.6304
- -delta_H -26.15 kJ/mol # Calculated enthalpy of reaction CrS
-# Enthalpy of formation: -31.9 kcal/mol
- -analytic -1.1134e+002 -3.5954e-002 3.8744e+003 4.3815e+001 6.0490e+001
-# -Range: 0-300
-
-Cristobalite(alpha)
- SiO2 = + 1.0000 SiO2
- log_k -3.4488
- -delta_H 29.2043 kJ/mol # Calculated enthalpy of reaction Cristobalite(alpha)
-# Enthalpy of formation: -216.755 kcal/mol
- -analytic -1.1936e+001 9.0520e-003 4.3701e+003 -1.1464e-001 -7.6568e+005
-# -Range: 0-300
-
-Cristobalite(beta)
- SiO2 = + 1.0000 SiO2
- log_k -3.0053
- -delta_H 24.6856 kJ/mol # Calculated enthalpy of reaction Cristobalite(beta)
-# Enthalpy of formation: -215.675 kcal/mol
- -analytic -4.7414e+000 9.7567e-003 3.8831e+003 -2.5830e+000 -6.9636e+005
-# -Range: 0-300
-
-Crocoite
- PbCrO4 = + 1.0000 CrO4-- + 1.0000 Pb++
- log_k -12.7177
- -delta_H 48.6181 kJ/mol # Calculated enthalpy of reaction Crocoite
-# Enthalpy of formation: -222 kcal/mol
- -analytic 3.0842e+001 -1.4430e-002 -5.0292e+003 -9.0525e+000 -8.5414e+001
-# -Range: 0-200
-
-Cronstedtite-7A
- Fe2Fe2SiO5(OH)4 +10.0000 H+ = + 1.0000 SiO2 + 2.0000 Fe++ + 2.0000 Fe+++ + 7.0000 H2O
- log_k 16.2603
- -delta_H -244.266 kJ/mol # Calculated enthalpy of reaction Cronstedtite-7A
-# Enthalpy of formation: -697.413 kcal/mol
- -analytic -2.3783e+002 -7.1026e-002 1.7752e+004 8.7147e+001 2.7707e+002
-# -Range: 0-300
-
-Cs
- Cs +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Cs+
- log_k 72.5987
- -delta_H -397.913 kJ/mol # Calculated enthalpy of reaction Cs
-# Enthalpy of formation: 0 kJ/mol
- -analytic -1.2875e+001 -7.3845e-003 2.1019e+004 6.9347e+000 3.2799e+002
-# -Range: 0-300
-
-Cs2NaAmCl6
- Cs2NaAmCl6 = + 1.0000 Am+++ + 1.0000 Na+ + 2.0000 Cs+ + 6.0000 Cl-
- log_k 11.7089
- -delta_H -59.7323 kJ/mol # Calculated enthalpy of reaction Cs2NaAmCl6
-# Enthalpy of formation: -2315.8 kJ/mol
- -analytic 5.1683e+001 -5.0340e-002 -2.3205e+003 -6.9536e+000 -3.9422e+001
-# -Range: 0-200
-
-Cs2U2O7
- Cs2U2O7 +6.0000 H+ = + 2.0000 Cs+ + 2.0000 UO2++ + 3.0000 H2O
- log_k 31.0263
- -delta_H -191.57 kJ/mol # Calculated enthalpy of reaction Cs2U2O7
-# Enthalpy of formation: -3220 kJ/mol
- -analytic -5.1436e+001 -7.4096e-003 1.2524e+004 1.7827e+001 -1.2899e+005
-# -Range: 0-300
-
-Cs2U4O12
- Cs2U4O12 +8.0000 H+ = + 2.0000 Cs+ + 2.0000 UO2+ + 2.0000 UO2++ + 4.0000 H2O
- log_k 18.9460
- -delta_H -175.862 kJ/mol # Calculated enthalpy of reaction Cs2U4O12
-# Enthalpy of formation: -5571.8 kJ/mol
- -analytic -3.3411e+001 3.6196e-003 1.0508e+004 6.5823e+000 -2.3403e+004
-# -Range: 0-300
-
-Cs2UO4
- Cs2UO4 +4.0000 H+ = + 1.0000 UO2++ + 2.0000 Cs+ + 2.0000 H2O
- log_k 35.8930
- -delta_H -178.731 kJ/mol # Calculated enthalpy of reaction Cs2UO4
-# Enthalpy of formation: -1928 kJ/mol
- -analytic -3.0950e+001 -3.5650e-003 1.0690e+004 1.2949e+001 1.6682e+002
-# -Range: 0-300
-
-Cu
- Cu +2.0000 H+ +0.5000 O2 = + 1.0000 Cu++ + 1.0000 H2O
- log_k 31.5118
- -delta_H -214.083 kJ/mol # Calculated enthalpy of reaction Cu
-# Enthalpy of formation: 0 kcal/mol
- -analytic -7.0719e+001 -2.0300e-002 1.2802e+004 2.6401e+001 1.9979e+002
-# -Range: 0-300
-
-Cu3(PO4)2
- Cu3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Cu++
- log_k -12.2247
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cu3(PO4)2
-# Enthalpy of formation: 0 kcal/mol
-
-Cu3(PO4)2:3H2O
- Cu3(PO4)2:3H2O +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Cu++ + 3.0000 H2O
- log_k -10.4763
- -delta_H 0 # Not possible to calculate enthalpy of reaction Cu3(PO4)2:3H2O
-# Enthalpy of formation: 0 kcal/mol
-
-CuCl2
- CuCl2 = + 1.0000 Cu++ + 2.0000 Cl-
- log_k 3.7308
- -delta_H -48.5965 kJ/mol # Calculated enthalpy of reaction CuCl2
-# Enthalpy of formation: -219.874 kJ/mol
- -analytic -1.7803e+001 -2.4432e-002 1.5729e+003 9.5104e+000 2.6716e+001
-# -Range: 0-200
-
-CuCr2O4
- CuCr2O4 +8.0000 H+ = + 1.0000 Cu++ + 2.0000 Cr+++ + 4.0000 H2O
- log_k 16.2174
- -delta_H -268.768 kJ/mol # Calculated enthalpy of reaction CuCr2O4
-# Enthalpy of formation: -307.331 kcal/mol
- -analytic -1.8199e+002 -1.0254e-002 2.0123e+004 5.4062e+001 3.4178e+002
-# -Range: 0-200
-
-CuF
- CuF = + 1.0000 Cu+ + 1.0000 F-
- log_k 7.0800
- -delta_H 0 # Not possible to calculate enthalpy of reaction CuF
-# Enthalpy of formation: 0 kcal/mol
-
-CuF2
- CuF2 = + 1.0000 Cu++ + 2.0000 F-
- log_k -0.6200
- -delta_H 0 # Not possible to calculate enthalpy of reaction CuF2
-# Enthalpy of formation: 0 kcal/mol
-
-CuF2:2H2O
- CuF2:2H2O = + 1.0000 Cu++ + 2.0000 F- + 2.0000 H2O
- log_k -4.5500
- -delta_H 0 # Not possible to calculate enthalpy of reaction CuF2:2H2O
-# Enthalpy of formation: 0 kcal/mol
-
-CuSeO3
- CuSeO3 = + 1.0000 Cu++ + 1.0000 SeO3--
- log_k -7.6767
- -delta_H 0 # Not possible to calculate enthalpy of reaction CuSeO3
-# Enthalpy of formation: 0 kcal/mol
-
-Cuprite
- Cu2O +2.0000 H+ = + 1.0000 H2O + 2.0000 Cu+
- log_k -1.9031
- -delta_H 28.355 kJ/mol # Calculated enthalpy of reaction Cuprite
-# Enthalpy of formation: -40.83 kcal/mol
- -analytic -8.6240e+001 -1.1445e-002 1.7851e+003 3.3041e+001 2.7880e+001
-# -Range: 0-300
-
-Daphnite-14A
- Fe5AlAlSi3O10(OH)8 +16.0000 H+ = + 2.0000 Al+++ + 3.0000 SiO2 + 5.0000 Fe++ + 12.0000 H2O
- log_k 52.2821
- -delta_H -517.561 kJ/mol # Calculated enthalpy of reaction Daphnite-14A
-# Enthalpy of formation: -1693.04 kcal/mol
- -analytic -1.5261e+002 -6.1392e-002 2.8283e+004 5.1788e+001 4.4137e+002
-# -Range: 0-300
-
-Daphnite-7A
- Fe5AlAlSi3O10(OH)8 +16.0000 H+ = + 2.0000 Al+++ + 3.0000 SiO2 + 5.0000 Fe++ + 12.0000 H2O
- log_k 55.6554
- -delta_H -532.326 kJ/mol # Calculated enthalpy of reaction Daphnite-7A
-# Enthalpy of formation: -1689.51 kcal/mol
- -analytic -1.6430e+002 -6.3160e-002 2.9499e+004 5.6442e+001 4.6035e+002
-# -Range: 0-300
-
-Dawsonite
- NaAlCO3(OH)2 +3.0000 H+ = + 1.0000 Al+++ + 1.0000 HCO3- + 1.0000 Na+ + 2.0000 H2O
- log_k 4.3464
- -delta_H -76.3549 kJ/mol # Calculated enthalpy of reaction Dawsonite
-# Enthalpy of formation: -1963.96 kJ/mol
- -analytic -1.1393e+002 -2.3487e-002 7.1758e+003 4.0900e+001 1.2189e+002
-# -Range: 0-200
-
-Delafossite
- CuFeO2 +4.0000 H+ = + 1.0000 Cu+ + 1.0000 Fe+++ + 2.0000 H2O
- log_k -6.4172
- -delta_H -18.6104 kJ/mol # Calculated enthalpy of reaction Delafossite
-# Enthalpy of formation: -126.904 kcal/mol
- -analytic -1.5275e+002 -3.5478e-002 5.1404e+003 5.6437e+001 8.0255e+001
-# -Range: 0-300
-
-Diaspore
- AlHO2 +3.0000 H+ = + 1.0000 Al+++ + 2.0000 H2O
- log_k 7.1603
- -delta_H -110.42 kJ/mol # Calculated enthalpy of reaction Diaspore
-# Enthalpy of formation: -238.924 kcal/mol
- -analytic -1.2618e+002 -3.1671e-002 8.8737e+003 4.5669e+001 1.3850e+002
-# -Range: 0-300
-
-Dicalcium_silicate
- Ca2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 Ca++ + 2.0000 H2O
- log_k 37.1725
- -delta_H -217.642 kJ/mol # Calculated enthalpy of reaction Dicalcium_silicate
-# Enthalpy of formation: -2317.9 kJ/mol
- -analytic -5.9723e+001 -1.3682e-002 1.5461e+004 2.1547e+001 -3.7732e+005
-# -Range: 0-300
-
-Diopside
- CaMgSi2O6 +4.0000 H+ = + 1.0000 Ca++ + 1.0000 Mg++ + 2.0000 H2O + 2.0000 SiO2
- log_k 20.9643
- -delta_H -133.775 kJ/mol # Calculated enthalpy of reaction Diopside
-# Enthalpy of formation: -765.378 kcal/mol
- -analytic 7.1240e+001 1.5514e-002 8.1437e+003 -3.0672e+001 -5.6880e+005
-# -Range: 0-300
-
-Dioptase
- CuSiO2(OH)2 +2.0000 H+ = + 1.0000 Cu++ + 1.0000 SiO2 + 2.0000 H2O
- log_k 6.0773
- -delta_H -25.2205 kJ/mol # Calculated enthalpy of reaction Dioptase
-# Enthalpy of formation: -1358.47 kJ/mol
- -analytic 2.3913e+002 6.2669e-002 -5.4030e+003 -9.4420e+001 -9.1834e+001
-# -Range: 0-200
-
-Dolomite
- CaMg(CO3)2 +2.0000 H+ = + 1.0000 Ca++ + 1.0000 Mg++ + 2.0000 HCO3-
- log_k 2.5135
- -delta_H -59.9651 kJ/mol # Calculated enthalpy of reaction Dolomite
-# Enthalpy of formation: -556.631 kcal/mol
- -analytic -3.1782e+002 -9.8179e-002 1.0845e+004 1.2657e+002 1.6932e+002
-# -Range: 0-300
-
-Dolomite-dis
- CaMg(CO3)2 +2.0000 H+ = + 1.0000 Ca++ + 1.0000 Mg++ + 2.0000 HCO3-
- log_k 4.0579
- -delta_H -72.2117 kJ/mol # Calculated enthalpy of reaction Dolomite-dis
-# Enthalpy of formation: -553.704 kcal/mol
- -analytic -3.1706e+002 -9.7886e-002 1.1442e+004 1.2604e+002 1.7864e+002
-# -Range: 0-300
-
-Dolomite-ord
- CaMg(CO3)2 +2.0000 H+ = + 1.0000 Ca++ + 1.0000 Mg++ + 2.0000 HCO3-
- log_k 2.5135
- -delta_H -59.9651 kJ/mol # Calculated enthalpy of reaction Dolomite-ord
-# Enthalpy of formation: -556.631 kcal/mol
- -analytic -3.1654e+002 -9.7902e-002 1.0805e+004 1.2607e+002 1.6870e+002
-# -Range: 0-300
-
-Downeyite
- SeO2 +1.0000 H2O = + 1.0000 SeO3-- + 2.0000 H+
- log_k -6.7503
- -delta_H 1.74473 kJ/mol # Calculated enthalpy of reaction Downeyite
-# Enthalpy of formation: -53.8 kcal/mol
- -analytic -1.2868e+002 -6.1183e-002 1.5802e+003 5.4490e+001 2.4696e+001
-# -Range: 0-300
-
-Dy
- Dy +3.0000 H+ +0.7500 O2 = + 1.0000 Dy+++ + 1.5000 H2O
- log_k 180.8306
- -delta_H -1116.29 kJ/mol # Calculated enthalpy of reaction Dy
-# Enthalpy of formation: 0 kJ/mol
- -analytic -6.8317e+001 -2.8321e-002 5.8927e+004 2.4211e+001 9.1953e+002
-# -Range: 0-300
-
-Dy(OH)3
- Dy(OH)3 +3.0000 H+ = + 1.0000 Dy+++ + 3.0000 H2O
- log_k 15.8852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(OH)3
-# Enthalpy of formation: 0 kcal/mol
-
-Dy(OH)3(am)
- Dy(OH)3 +3.0000 H+ = + 1.0000 Dy+++ + 3.0000 H2O
- log_k 17.4852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(OH)3(am)
-# Enthalpy of formation: 0 kcal/mol
-
-Dy2(CO3)3
- Dy2(CO3)3 +3.0000 H+ = + 2.0000 Dy+++ + 3.0000 HCO3-
- log_k -3.0136
- -delta_H 0 # Not possible to calculate enthalpy of reaction Dy2(CO3)3
-# Enthalpy of formation: 0 kcal/mol
-
-Dy2O3
- Dy2O3 +6.0000 H+ = + 2.0000 Dy+++ + 3.0000 H2O
- log_k 47.0000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Dy2O3
-# Enthalpy of formation: 0 kcal/mol
-
-DyF3:.5H2O
- DyF3:.5H2O = + 0.5000 H2O + 1.0000 Dy+++ + 3.0000 F-
- log_k -16.5000
- -delta_H 0 # Not possible to calculate enthalpy of reaction DyF3:.5H2O
-# Enthalpy of formation: 0 kcal/mol
-
-DyPO4:10H2O
- DyPO4:10H2O +1.0000 H+ = + 1.0000 Dy+++ + 1.0000 HPO4-- + 10.0000 H2O
- log_k -11.9782
- -delta_H 0 # Not possible to calculate enthalpy of reaction DyPO4:10H2O
-# Enthalpy of formation: 0 kcal/mol
-
-Enstatite
- MgSiO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 Mg++ + 1.0000 SiO2
- log_k 11.3269
- -delta_H -82.7302 kJ/mol # Calculated enthalpy of reaction Enstatite
-# Enthalpy of formation: -369.686 kcal/mol
- -analytic -4.9278e+001 -3.2832e-003 9.5205e+003 1.4437e+001 -5.4324e+005
-# -Range: 0-300
-
-Epidote
- Ca2FeAl2Si3O12OH +13.0000 H+ = + 1.0000 Fe+++ + 2.0000 Al+++ + 2.0000 Ca++ + 3.0000 SiO2 + 7.0000 H2O
- log_k 32.9296
- -delta_H -386.451 kJ/mol # Calculated enthalpy of reaction Epidote
-# Enthalpy of formation: -1543.99 kcal/mol
- -analytic -2.6187e+001 -3.6436e-002 1.9351e+004 3.3671e+000 -3.0319e+005
-# -Range: 0-300
-
-Epidote-ord
- FeCa2Al2(OH)(SiO4)3 +13.0000 H+ = + 1.0000 Fe+++ + 2.0000 Al+++ + 2.0000 Ca++ + 3.0000 SiO2 + 7.0000 H2O
- log_k 32.9296
- -delta_H -386.351 kJ/mol # Calculated enthalpy of reaction Epidote-ord
-# Enthalpy of formation: -1544.02 kcal/mol
- -analytic 1.9379e+001 -3.2870e-002 1.5692e+004 -1.1901e+001 2.4485e+002
-# -Range: 0-300
-
-Epsomite
- MgSO4:7H2O = + 1.0000 Mg++ + 1.0000 SO4-- + 7.0000 H2O
- log_k -1.9623
- -delta_H 0 # Not possible to calculate enthalpy of reaction Epsomite
-# Enthalpy of formation: 0 kcal/mol
-
-Er
- Er +3.0000 H+ +0.7500 O2 = + 1.0000 Er+++ + 1.5000 H2O
- log_k 181.7102
- -delta_H -1124.66 kJ/mol # Calculated enthalpy of reaction Er
-# Enthalpy of formation: 0 kJ/mol
- -analytic -1.4459e+002 -3.8221e-002 6.4073e+004 5.1047e+001 -3.1503e+005
-# -Range: 0-300
-
-Er(OH)3
- Er(OH)3 +3.0000 H+ = + 1.0000 Er+++ + 3.0000 H2O
- log_k 14.9852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Er(OH)3
-# Enthalpy of formation: 0 kcal/mol
-
-Er(OH)3(am)
- Er(OH)3 +3.0000 H+ = + 1.0000 Er+++ + 3.0000 H2O
- log_k 18.9852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Er(OH)3(am)
-# Enthalpy of formation: 0 kcal/mol
-
-Er2(CO3)3
- Er2(CO3)3 +3.0000 H+ = + 2.0000 Er+++ + 3.0000 HCO3-
- log_k -2.6136
- -delta_H 0 # Not possible to calculate enthalpy of reaction Er2(CO3)3
-# Enthalpy of formation: 0 kcal/mol
-
-Er2O3
- Er2O3 +6.0000 H+ = + 2.0000 Er+++ + 3.0000 H2O
- log_k 42.1000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Er2O3
-# Enthalpy of formation: 0 kcal/mol
-
-ErF3:.5H2O
- ErF3:.5H2O = + 0.5000 H2O + 1.0000 Er+++ + 3.0000 F-
- log_k -16.3000
- -delta_H 0 # Not possible to calculate enthalpy of reaction ErF3:.5H2O
-# Enthalpy of formation: 0 kcal/mol
-
-ErPO4:10H2O
- ErPO4:10H2O +1.0000 H+ = + 1.0000 Er+++ + 1.0000 HPO4-- + 10.0000 H2O
- log_k -11.8782
- -delta_H 0 # Not possible to calculate enthalpy of reaction ErPO4:10H2O
-# Enthalpy of formation: 0 kcal/mol
-
-Erythrite
- Co3(AsO4)2:8H2O +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 Co++ + 8.0000 H2O
- log_k 6.3930
- -delta_H 0 # Not possible to calculate enthalpy of reaction Erythrite
-# Enthalpy of formation: 0 kcal/mol
-
-Eskolaite
- Cr2O3 +2.0000 H2O +1.5000 O2 = + 2.0000 CrO4-- + 4.0000 H+
- log_k -9.1306
- -delta_H -32.6877 kJ/mol # Calculated enthalpy of reaction Eskolaite
-# Enthalpy of formation: -1139.74 kJ/mol
- -analytic -2.0411e+002 -1.2809e-001 2.2197e+003 9.1186e+001 3.4697e+001
-# -Range: 0-300
-
-Ettringite
- Ca6Al2(SO4)3(OH)12:26H2O +12.0000 H+ = + 2.0000 Al+++ + 3.0000 SO4-- + 6.0000 Ca++ + 38.0000 H2O
- log_k 62.5362
- -delta_H -382.451 kJ/mol # Calculated enthalpy of reaction Ettringite
-# Enthalpy of formation: -4193 kcal/mol
- -analytic -1.0576e+003 -1.1585e-001 5.9580e+004 3.8585e+002 1.0121e+003
-# -Range: 0-200
-
-Eu
- Eu +3.0000 H+ +0.7500 O2 = + 1.0000 Eu+++ + 1.5000 H2O
- log_k 165.1443
- -delta_H -1025.08 kJ/mol # Calculated enthalpy of reaction Eu
-# Enthalpy of formation: 0 kJ/mol
- -analytic -6.5749e+001 -2.8921e-002 5.4018e+004 2.3561e+001 8.4292e+002
-# -Range: 0-300
-
-Eu(IO3)3:2H2O
- Eu(IO3)3:2H2O = + 1.0000 Eu+++ + 2.0000 H2O + 3.0000 IO3-
- log_k -11.6999
- -delta_H 20.8847 kJ/mol # Calculated enthalpy of reaction Eu(IO3)3:2H2O
-# Enthalpy of formation: -1861.99 kJ/mol
- -analytic -3.4616e+001 -1.9914e-002 -1.1966e+003 1.3276e+001 -2.0308e+001
-# -Range: 0-200
-
-Eu(NO3)3:6H2O
- Eu(NO3)3:6H2O = + 1.0000 Eu+++ + 3.0000 NO3- + 6.0000 H2O
- log_k 1.3082
- -delta_H 15.2254 kJ/mol # Calculated enthalpy of reaction Eu(NO3)3:6H2O
-# Enthalpy of formation: -2956.11 kJ/mol
- -analytic -1.3205e+002 -2.0427e-002 3.9623e+003 5.0976e+001 6.7332e+001
-# -Range: 0-200
-
-Eu(OH)2.5Cl.5
- Eu(OH)2.5Cl.5 +2.5000 H+ = + 0.5000 Cl- + 1.0000 Eu+++ + 2.5000 H2O
- log_k 12.5546
- -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)2.5Cl.5
-# Enthalpy of formation: 0 kcal/mol
-
-Eu(OH)2Cl
- Eu(OH)2Cl +2.0000 H+ = + 1.0000 Cl- + 1.0000 Eu+++ + 2.0000 H2O
- log_k 8.7974
- -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)2Cl
-# Enthalpy of formation: 0 kcal/mol
-
-Eu(OH)3
- Eu(OH)3 +3.0000 H+ = + 1.0000 Eu+++ + 3.0000 H2O
- log_k 15.3482
- -delta_H -126.897 kJ/mol # Calculated enthalpy of reaction Eu(OH)3
-# Enthalpy of formation: -1336.04 kJ/mol
- -analytic -6.3077e+001 -6.1421e-003 8.7323e+003 2.0595e+001 1.4831e+002
-# -Range: 0-200
-
-Eu2(CO3)3:3H2O
- Eu2(CO3)3:3H2O +3.0000 H+ = + 2.0000 Eu+++ + 3.0000 H2O + 3.0000 HCO3-
- log_k -5.8707
- -delta_H -137.512 kJ/mol # Calculated enthalpy of reaction Eu2(CO3)3:3H2O
-# Enthalpy of formation: -4000.65 kJ/mol
- -analytic -1.4134e+002 -4.0240e-002 9.5883e+003 4.6591e+001 1.6287e+002
-# -Range: 0-200
-
-Eu2(SO4)3:8H2O
- Eu2(SO4)3:8H2O = + 2.0000 Eu+++ + 3.0000 SO4-- + 8.0000 H2O
- log_k -10.8524
- -delta_H -86.59 kJ/mol # Calculated enthalpy of reaction Eu2(SO4)3:8H2O
-# Enthalpy of formation: -6139.77 kJ/mol
- -analytic -5.6582e+001 -3.8846e-002 3.3821e+003 1.8561e+001 5.7452e+001
-# -Range: 0-200
-
-Eu2O3(cubic)
- Eu2O3 +6.0000 H+ = + 2.0000 Eu+++ + 3.0000 H2O
- log_k 51.7818
- -delta_H -406.403 kJ/mol # Calculated enthalpy of reaction Eu2O3(cubic)
-# Enthalpy of formation: -1661.96 kJ/mol
- -analytic -5.3469e+001 -1.2554e-002 2.1925e+004 1.4324e+001 3.7233e+002
-# -Range: 0-200
-
-Eu2O3(monoclinic)
- Eu2O3 +6.0000 H+ = + 2.0000 Eu+++ + 3.0000 H2O
- log_k 53.3936
- -delta_H -417.481 kJ/mol # Calculated enthalpy of reaction Eu2O3(monoclinic)
-# Enthalpy of formation: -1650.88 kJ/mol
- -analytic -5.4022e+001 -1.2627e-002 2.2508e+004 1.4416e+001 3.8224e+002
-# -Range: 0-200
-
-Eu3O4
- Eu3O4 +8.0000 H+ = + 1.0000 Eu++ + 2.0000 Eu+++ + 4.0000 H2O
- log_k 87.0369
- -delta_H -611.249 kJ/mol # Calculated enthalpy of reaction Eu3O4
-# Enthalpy of formation: -2270.56 kJ/mol
- -analytic -1.1829e+002 -2.0354e-002 3.4981e+004 3.8007e+001 5.9407e+002
-# -Range: 0-200
-
-EuBr3
- EuBr3 = + 1.0000 Eu+++ + 3.0000 Br-
- log_k 29.8934
- -delta_H -217.166 kJ/mol # Calculated enthalpy of reaction EuBr3
-# Enthalpy of formation: -752.769 kJ/mol
- -analytic 6.0207e+001 -2.5234e-002 6.6823e+003 -1.8276e+001 1.1345e+002
-# -Range: 0-200
-
-EuCl2
- EuCl2 = + 1.0000 Eu++ + 2.0000 Cl-
- log_k 5.9230
- -delta_H -39.2617 kJ/mol # Calculated enthalpy of reaction EuCl2
-# Enthalpy of formation: -822.5 kJ/mol
- -analytic -2.5741e+001 -2.4956e-002 1.5713e+003 1.3670e+001 2.6691e+001
-# -Range: 0-200
-
-EuCl3
- EuCl3 = + 1.0000 Eu+++ + 3.0000 Cl-
- log_k 19.7149
- -delta_H -170.861 kJ/mol # Calculated enthalpy of reaction EuCl3
-# Enthalpy of formation: -935.803 kJ/mol
- -analytic 3.2865e+001 -3.1877e-002 4.9792e+003 -8.2294e+000 8.4542e+001
-# -Range: 0-200
-
-EuCl3:6H2O
- EuCl3:6H2O = + 1.0000 Eu+++ + 3.0000 Cl- + 6.0000 H2O
- log_k 4.9090
- -delta_H -40.0288 kJ/mol # Calculated enthalpy of reaction EuCl3:6H2O
-# Enthalpy of formation: -2781.66 kJ/mol
- -analytic -1.0987e+002 -2.9851e-002 4.9991e+003 4.3198e+001 8.4930e+001
-# -Range: 0-200
-
-EuF3:0.5H2O
- EuF3:0.5H2O = + 0.5000 H2O + 1.0000 Eu+++ + 3.0000 F-
- log_k -16.4847
- -delta_H 0 # Not possible to calculate enthalpy of reaction EuF3:0.5H2O
-# Enthalpy of formation: 0 kcal/mol
-
-EuO
- EuO +2.0000 H+ = + 1.0000 Eu++ + 1.0000 H2O
- log_k 37.4800
- -delta_H -221.196 kJ/mol # Calculated enthalpy of reaction EuO
-# Enthalpy of formation: -592.245 kJ/mol
- -analytic -8.9517e+001 -1.7523e-002 1.4385e+004 3.3933e+001 2.2449e+002
-# -Range: 0-300
-
-EuOCl
- EuOCl +2.0000 H+ = + 1.0000 Cl- + 1.0000 Eu+++ + 1.0000 H2O
- log_k 15.6683
- -delta_H -147.173 kJ/mol # Calculated enthalpy of reaction EuOCl
-# Enthalpy of formation: -911.17 kJ/mol
- -analytic -7.7446e+000 -1.4960e-002 6.6242e+003 2.2813e+000 1.1249e+002
-# -Range: 0-200
-
-EuOHCO3
- EuOHCO3 +2.0000 H+ = + 1.0000 Eu+++ + 1.0000 H2O + 1.0000 HCO3-
- log_k 2.5239
- -delta_H 0 # Not possible to calculate enthalpy of reaction EuOHCO3
-# Enthalpy of formation: 0 kcal/mol
-
-EuPO4:10H2O
- EuPO4:10H2O +1.0000 H+ = + 1.0000 Eu+++ + 1.0000 HPO4-- + 10.0000 H2O
- log_k -12.0782
- -delta_H 0 # Not possible to calculate enthalpy of reaction EuPO4:10H2O
-# Enthalpy of formation: 0 kcal/mol
-
-EuS
- EuS +1.0000 H+ = + 1.0000 Eu++ + 1.0000 HS-
- log_k 14.9068
- -delta_H -96.4088 kJ/mol # Calculated enthalpy of reaction EuS
-# Enthalpy of formation: -447.302 kJ/mol
- -analytic -4.1026e+001 -1.5582e-002 5.7842e+003 1.6639e+001 9.8238e+001
-# -Range: 0-200
-
-EuSO4
- EuSO4 = + 1.0000 Eu++ + 1.0000 SO4--
- log_k -8.8449
- -delta_H 33.873 kJ/mol # Calculated enthalpy of reaction EuSO4
-# Enthalpy of formation: -1471.08 kJ/mol
- -analytic 3.0262e-001 -1.7571e-002 -3.0392e+003 2.5356e+000 -5.1610e+001
-# -Range: 0-200
-
-Eucryptite
- LiAlSiO4 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Li+ + 1.0000 SiO2 + 2.0000 H2O
- log_k 13.6106
- -delta_H -141.818 kJ/mol # Calculated enthalpy of reaction Eucryptite
-# Enthalpy of formation: -2124.41 kJ/mol
- -analytic -2.2213e+000 -8.2498e-003 6.4838e+003 -1.4183e+000 1.0117e+002
-# -Range: 0-300
-
-Fayalite
- Fe2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 Fe++ + 2.0000 H2O
- log_k 19.1113
- -delta_H -152.256 kJ/mol # Calculated enthalpy of reaction Fayalite
-# Enthalpy of formation: -354.119 kcal/mol
- -analytic 1.3853e+001 -3.5501e-003 7.1496e+003 -6.8710e+000 -6.3310e+004
-# -Range: 0-300
-
-Fe
- Fe +2.0000 H+ +0.5000 O2 = + 1.0000 Fe++ + 1.0000 H2O
- log_k 59.0325
- -delta_H -372.029 kJ/mol # Calculated enthalpy of reaction Fe
-# Enthalpy of formation: 0 kcal/mol
- -analytic -6.2882e+001 -2.0379e-002 2.0690e+004 2.3673e+001 3.2287e+002
-# -Range: 0-300
-
-Fe(OH)2
- Fe(OH)2 +2.0000 H+ = + 1.0000 Fe++ + 2.0000 H2O
- log_k 13.9045
- -delta_H -95.4089 kJ/mol # Calculated enthalpy of reaction Fe(OH)2
-# Enthalpy of formation: -568.525 kJ/mol
- -analytic -8.6666e+001 -1.8440e-002 7.5723e+003 3.2597e+001 1.1818e+002
-# -Range: 0-300
-
-Fe(OH)3
- Fe(OH)3 +3.0000 H+ = + 1.0000 Fe+++ + 3.0000 H2O
- log_k 5.6556
- -delta_H -84.0824 kJ/mol # Calculated enthalpy of reaction Fe(OH)3
-# Enthalpy of formation: -823.013 kJ/mol
- -analytic -1.3316e+002 -3.1284e-002 7.9753e+003 4.9052e+001 1.2449e+002
-# -Range: 0-300
-
-Fe2(SO4)3
- Fe2(SO4)3 = + 2.0000 Fe+++ + 3.0000 SO4--
- log_k 3.2058
- -delta_H -250.806 kJ/mol # Calculated enthalpy of reaction Fe2(SO4)3
-# Enthalpy of formation: -2577.16 kJ/mol
- -analytic -5.8649e+002 -2.3718e-001 2.2736e+004 2.3601e+002 3.5495e+002
-# -Range: 0-300
-
-FeF2
- FeF2 = + 1.0000 Fe++ + 2.0000 F-
- log_k -2.3817
- -delta_H -51.6924 kJ/mol # Calculated enthalpy of reaction FeF2
-# Enthalpy of formation: -711.26 kJ/mol
- -analytic -2.5687e+002 -8.4091e-002 8.4262e+003 1.0154e+002 1.3156e+002
-# -Range: 0-300
-
-FeF3
- FeF3 = + 1.0000 Fe+++ + 3.0000 F-
- log_k -19.2388
- -delta_H -13.8072 kJ/mol # Calculated enthalpy of reaction FeF3
-# Enthalpy of formation: -249 kcal/mol
- -analytic -1.6215e+001 -3.7450e-002 -1.8926e+003 5.8485e+000 -3.2134e+001
-# -Range: 0-200
-
-FeO
- FeO +2.0000 H+ = + 1.0000 Fe++ + 1.0000 H2O
- log_k 13.5318
- -delta_H -106.052 kJ/mol # Calculated enthalpy of reaction FeO
-# Enthalpy of formation: -65.02 kcal/mol
- -analytic -7.8750e+001 -1.8268e-002 7.6852e+003 2.9074e+001 1.1994e+002
-# -Range: 0-300
-
-FeSO4
- FeSO4 = + 1.0000 Fe++ + 1.0000 SO4--
- log_k 2.6565
- -delta_H -73.0878 kJ/mol # Calculated enthalpy of reaction FeSO4
-# Enthalpy of formation: -928.771 kJ/mol
- -analytic -2.0794e+002 -7.6891e-002 7.8705e+003 8.3685e+001 1.2287e+002
-# -Range: 0-300
-
-FeV2O4
- FeV2O4 +8.0000 H+ = + 1.0000 Fe++ + 2.0000 V+++ + 4.0000 H2O
- log_k 280.5528
- -delta_H -1733.42 kJ/mol # Calculated enthalpy of reaction FeV2O4
-# Enthalpy of formation: -5.8 kcal/mol
- -analytic -1.6736e+002 -1.9398e-002 9.5736e+004 5.3582e+001 1.6258e+003
-# -Range: 0-200
-
-Ferrite-Ca
- CaFe2O4 +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Fe+++ + 4.0000 H2O
- log_k 21.5217
- -delta_H -264.738 kJ/mol # Calculated enthalpy of reaction Ferrite-Ca
-# Enthalpy of formation: -363.494 kcal/mol
- -analytic -2.8472e+002 -7.5870e-002 2.0688e+004 1.0485e+002 3.2289e+002
-# -Range: 0-300
-
-Ferrite-Cu
- CuFe2O4 +8.0000 H+ = + 1.0000 Cu++ + 2.0000 Fe+++ + 4.0000 H2O
- log_k 10.3160
- -delta_H -211.647 kJ/mol # Calculated enthalpy of reaction Ferrite-Cu
-# Enthalpy of formation: -965.178 kJ/mol
- -analytic -3.1271e+002 -7.9976e-002 1.8818e+004 1.1466e+002 2.9374e+002
-# -Range: 0-300
-
-Ferrite-Dicalcium
- Ca2Fe2O5 +10.0000 H+ = + 2.0000 Ca++ + 2.0000 Fe+++ + 5.0000 H2O
- log_k 56.8331
- -delta_H -475.261 kJ/mol # Calculated enthalpy of reaction Ferrite-Dicalcium
-# Enthalpy of formation: -2139.26 kJ/mol
- -analytic -3.6277e+002 -9.5015e-002 3.3898e+004 1.3506e+002 5.2906e+002
-# -Range: 0-300
-
-Ferrite-Mg
- MgFe2O4 +8.0000 H+ = + 1.0000 Mg++ + 2.0000 Fe+++ + 4.0000 H2O
- log_k 21.0551
- -delta_H -280.056 kJ/mol # Calculated enthalpy of reaction Ferrite-Mg
-# Enthalpy of formation: -1428.42 kJ/mol
- -analytic -2.8297e+002 -7.4820e-002 2.1333e+004 1.0295e+002 3.3296e+002
-# -Range: 0-300
-
-Ferrite-Zn
- ZnFe2O4 +8.0000 H+ = + 1.0000 Zn++ + 2.0000 Fe+++ + 4.0000 H2O
- log_k 11.7342
- -delta_H -226.609 kJ/mol # Calculated enthalpy of reaction Ferrite-Zn
-# Enthalpy of formation: -1169.29 kJ/mol
- -analytic -2.9809e+002 -7.7263e-002 1.9067e+004 1.0866e+002 2.9761e+002
-# -Range: 0-300
-
-Ferroselite
- FeSe2 +0.5000 H2O = + 0.2500 O2 + 1.0000 Fe+++ + 1.0000 H+ + 2.0000 Se--
- log_k -80.7998
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ferroselite
-# Enthalpy of formation: -25 kcal/mol
- -analytic -7.2971e+001 -2.4992e-002 -1.6246e+004 2.1860e+001 -2.5348e+002
-# -Range: 0-300
-
-Ferrosilite
- FeSiO3 +2.0000 H+ = + 1.0000 Fe++ + 1.0000 H2O + 1.0000 SiO2
- log_k 7.4471
- -delta_H -60.6011 kJ/mol # Calculated enthalpy of reaction Ferrosilite
-# Enthalpy of formation: -285.658 kcal/mol
- -analytic 9.0041e+000 3.7917e-003 5.1625e+003 -6.3009e+000 -3.9565e+005
-# -Range: 0-300
-
-Fluorapatite
- Ca5(PO4)3F +3.0000 H+ = + 1.0000 F- + 3.0000 HPO4-- + 5.0000 Ca++
- log_k -24.9940
- -delta_H -90.8915 kJ/mol # Calculated enthalpy of reaction Fluorapatite
-# Enthalpy of formation: -6836.12 kJ/mol
- -analytic -9.3648e+002 -3.2688e-001 2.4398e+004 3.7461e+002 3.8098e+002
-# -Range: 0-300
-
-Fluorite
- CaF2 = + 1.0000 Ca++ + 2.0000 F-
- log_k -10.0370
- -delta_H 12.1336 kJ/mol # Calculated enthalpy of reaction Fluorite
-# Enthalpy of formation: -293 kcal/mol
- -analytic -2.5036e+002 -8.4183e-002 4.9525e+003 1.0054e+002 7.7353e+001
-# -Range: 0-300
-
-Forsterite
- Mg2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Mg++
- log_k 27.8626
- -delta_H -205.614 kJ/mol # Calculated enthalpy of reaction Forsterite
-# Enthalpy of formation: -520 kcal/mol
- -analytic -7.6195e+001 -1.4013e-002 1.4763e+004 2.5090e+001 -3.0379e+005
-# -Range: 0-300
-
-Foshagite
- Ca4Si3O9(OH)2:0.5H2O +8.0000 H+ = + 3.0000 SiO2 + 4.0000 Ca++ + 5.5000 H2O
- log_k 65.9210
- -delta_H -359.839 kJ/mol # Calculated enthalpy of reaction Foshagite
-# Enthalpy of formation: -1438.27 kcal/mol
- -analytic 2.9983e+001 5.5272e-003 2.3427e+004 -1.3879e+001 -8.9461e+005
-# -Range: 0-300
-
-Frankdicksonite
- BaF2 = + 1.0000 Ba++ + 2.0000 F-
- log_k -5.7600
- -delta_H 0 # Not possible to calculate enthalpy of reaction Frankdicksonite
-# Enthalpy of formation: 0 kcal/mol
-
-Freboldite
- CoSe = + 1.0000 Co++ + 1.0000 Se--
- log_k -24.3358
- -delta_H 0 # Not possible to calculate enthalpy of reaction Freboldite
-# Enthalpy of formation: -15.295 kcal/mol
- -analytic -1.3763e+001 -1.6924e-003 -3.6938e+003 9.3574e-001 -6.2723e+001
-# -Range: 0-200
-
-Ga
- Ga +3.0000 H+ +0.7500 O2 = + 1.0000 Ga+++ + 1.5000 H2O
- log_k 92.3567
- -delta_H -631.368 kJ/mol # Calculated enthalpy of reaction Ga
-# Enthalpy of formation: 0 kJ/mol
- -analytic -1.3027e+002 -3.9539e-002 3.6027e+004 4.6280e+001 -8.5461e+004
-# -Range: 0-300
-
-Galena
- PbS +1.0000 H+ = + 1.0000 HS- + 1.0000 Pb++
- log_k -14.8544
- -delta_H 83.1361 kJ/mol # Calculated enthalpy of reaction Galena
-# Enthalpy of formation: -23.5 kcal/mol
- -analytic -1.2124e+002 -4.3477e-002 -1.6463e+003 5.0454e+001 -2.5654e+001
-# -Range: 0-300
-
-Gaylussite
- CaNa2(CO3)2:5H2O +2.0000 H+ = + 1.0000 Ca++ + 2.0000 HCO3- + 2.0000 Na+ + 5.0000 H2O
- log_k 11.1641
- -delta_H 0 # Not possible to calculate enthalpy of reaction Gaylussite
-# Enthalpy of formation: 0 kcal/mol
-
-Gd
- Gd +3.0000 H+ +0.7500 O2 = + 1.0000 Gd+++ + 1.5000 H2O
- log_k 180.7573
- -delta_H -1106.67 kJ/mol # Calculated enthalpy of reaction Gd
-# Enthalpy of formation: 0 kJ/mol
- -analytic -3.3949e+002 -6.5698e-002 7.4278e+004 1.2189e+002 -9.7055e+005
-# -Range: 0-300
-
-Gd(OH)3
- Gd(OH)3 +3.0000 H+ = + 1.0000 Gd+++ + 3.0000 H2O
- log_k 15.5852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(OH)3
-# Enthalpy of formation: 0 kcal/mol
-
-Gd(OH)3(am)
- Gd(OH)3 +3.0000 H+ = + 1.0000 Gd+++ + 3.0000 H2O
- log_k 17.9852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(OH)3(am)
-# Enthalpy of formation: 0 kcal/mol
-
-Gd2(CO3)3
- Gd2(CO3)3 +3.0000 H+ = + 2.0000 Gd+++ + 3.0000 HCO3-
- log_k -3.7136
- -delta_H 0 # Not possible to calculate enthalpy of reaction Gd2(CO3)3
-# Enthalpy of formation: 0 kcal/mol
-
-Gd2O3
- Gd2O3 +6.0000 H+ = + 2.0000 Gd+++ + 3.0000 H2O
- log_k 53.8000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Gd2O3
-# Enthalpy of formation: 0 kcal/mol
-
-GdF3:.5H2O
- GdF3:.5H2O = + 0.5000 H2O + 1.0000 Gd+++ + 3.0000 F-
- log_k -16.9000
- -delta_H 0 # Not possible to calculate enthalpy of reaction GdF3:.5H2O
-# Enthalpy of formation: 0 kcal/mol
-
-GdPO4:10H2O
- GdPO4:10H2O +1.0000 H+ = + 1.0000 Gd+++ + 1.0000 HPO4-- + 10.0000 H2O
- log_k -11.9782
- -delta_H 0 # Not possible to calculate enthalpy of reaction GdPO4:10H2O
-# Enthalpy of formation: 0 kcal/mol
-
-Gehlenite
- Ca2Al2SiO7 +10.0000 H+ = + 1.0000 SiO2 + 2.0000 Al+++ + 2.0000 Ca++ + 5.0000 H2O
- log_k 56.2997
- -delta_H -489.934 kJ/mol # Calculated enthalpy of reaction Gehlenite
-# Enthalpy of formation: -951.225 kcal/mol
- -analytic -2.1784e+002 -6.7200e-002 2.9779e+004 7.8488e+001 4.6473e+002
-# -Range: 0-300
-
-Gibbsite
- Al(OH)3 +3.0000 H+ = + 1.0000 Al+++ + 3.0000 H2O
- log_k 7.7560
- -delta_H -102.788 kJ/mol # Calculated enthalpy of reaction Gibbsite
-# Enthalpy of formation: -309.065 kcal/mol
- -analytic -1.1403e+002 -3.6453e-002 7.7236e+003 4.3134e+001 1.2055e+002
-# -Range: 0-300
-
-Gismondine
- Ca2Al4Si4O16:9H2O +16.0000 H+ = + 2.0000 Ca++ + 4.0000 Al+++ + 4.0000 SiO2 + 17.0000 H2O
- log_k 41.7170
- -delta_H 0 # Not possible to calculate enthalpy of reaction Gismondine
-# Enthalpy of formation: 0 kcal/mol
-
-Glauberite
- Na2Ca(SO4)2 = + 1.0000 Ca++ + 2.0000 Na+ + 2.0000 SO4--
- log_k -5.4690
- -delta_H 0 # Not possible to calculate enthalpy of reaction Glauberite
-# Enthalpy of formation: 0 kcal/mol
-
-Goethite
- FeOOH +3.0000 H+ = + 1.0000 Fe+++ + 2.0000 H2O
- log_k 0.5345
- -delta_H -61.9291 kJ/mol # Calculated enthalpy of reaction Goethite
-# Enthalpy of formation: -559.328 kJ/mol
- -analytic -6.0331e+001 -1.0847e-002 4.7759e+003 1.9429e+001 8.1122e+001
-# -Range: 0-200
-
-Greenalite
- Fe3Si2O5(OH)4 +6.0000 H+ = + 2.0000 SiO2 + 3.0000 Fe++ + 5.0000 H2O
- log_k 22.6701
- -delta_H -165.297 kJ/mol # Calculated enthalpy of reaction Greenalite
-# Enthalpy of formation: -787.778 kcal/mol
- -analytic -1.4187e+001 -3.8377e-003 1.1710e+004 1.6442e+000 -4.8290e+005
-# -Range: 0-300
-
-Grossular
- Ca3Al2(SiO4)3 +12.0000 H+ = + 2.0000 Al+++ + 3.0000 Ca++ + 3.0000 SiO2 + 6.0000 H2O
- log_k 51.9228
- -delta_H -432.006 kJ/mol # Calculated enthalpy of reaction Grossular
-# Enthalpy of formation: -1582.74 kcal/mol
- -analytic 2.9389e+001 -2.2478e-002 2.0323e+004 -1.4624e+001 -2.5674e+005
-# -Range: 0-300
-
-Gypsum
- CaSO4:2H2O = + 1.0000 Ca++ + 1.0000 SO4-- + 2.0000 H2O
- log_k -4.4823
- -delta_H -1.66746 kJ/mol # Calculated enthalpy of reaction Gypsum
-# Enthalpy of formation: -2022.69 kJ/mol
- -analytic -2.4417e+002 -8.3329e-002 5.5958e+003 9.9301e+001 8.7389e+001
-# -Range: 0-300
-
-Gyrolite
- Ca2Si3O7(OH)2:1.5H2O +4.0000 H+ = + 2.0000 Ca++ + 3.0000 SiO2 + 4.5000 H2O
- log_k 22.9099
- -delta_H -82.862 kJ/mol # Calculated enthalpy of reaction Gyrolite
-# Enthalpy of formation: -1176.55 kcal/mol
- -analytic -2.4416e+001 1.4646e-002 1.6181e+004 2.3723e+000 -1.5369e+006
-# -Range: 0-300
-
-HTcO4
- HTcO4 = + 1.0000 H+ + 1.0000 TcO4-
- log_k 5.9566
- -delta_H -12.324 kJ/mol # Calculated enthalpy of reaction HTcO4
-# Enthalpy of formation: -703.945 kJ/mol
- -analytic 3.0005e+001 7.6416e-003 -5.3546e+001 -1.0568e+001 -9.1953e-001
-# -Range: 0-200
-
-Haiweeite
- Ca(UO2)2(Si2O5)3:5H2O +6.0000 H+ = + 1.0000 Ca++ + 2.0000 UO2++ + 6.0000 SiO2 + 8.0000 H2O
- log_k -7.0413
- -delta_H 0 # Not possible to calculate enthalpy of reaction Haiweeite
-# Enthalpy of formation: 0 kcal/mol
-
-Halite
- NaCl = + 1.0000 Cl- + 1.0000 Na+
- log_k 1.5855
- -delta_H 3.7405 kJ/mol # Calculated enthalpy of reaction Halite
-# Enthalpy of formation: -98.26 kcal/mol
- -analytic -1.0163e+002 -3.4761e-002 2.2796e+003 4.2802e+001 3.5602e+001
-# -Range: 0-300
-
-Hatrurite
- Ca3SiO5 +6.0000 H+ = + 1.0000 SiO2 + 3.0000 Ca++ + 3.0000 H2O
- log_k 73.4056
- -delta_H -434.684 kJ/mol # Calculated enthalpy of reaction Hatrurite
-# Enthalpy of formation: -700.234 kcal/mol
- -analytic -4.5448e+001 -1.9998e-002 2.3800e+004 1.8494e+001 -7.3385e+004
-# -Range: 0-300
-
-Hausmannite
- Mn3O4 +8.0000 H+ = + 1.0000 Mn++ + 2.0000 Mn+++ + 4.0000 H2O
- log_k 10.1598
- -delta_H -268.121 kJ/mol # Calculated enthalpy of reaction Hausmannite
-# Enthalpy of formation: -1387.83 kJ/mol
- -analytic -2.0600e+002 -2.2214e-002 2.0160e+004 6.2700e+001 3.1464e+002
-# -Range: 0-300
-
-Heazlewoodite
- Ni3S2 +4.0000 H+ +0.5000 O2 = + 1.0000 H2O + 2.0000 HS- + 3.0000 Ni++
- log_k 28.2477
- -delta_H -270.897 kJ/mol # Calculated enthalpy of reaction Heazlewoodite
-# Enthalpy of formation: -203.012 kJ/mol
- -analytic -3.5439e+002 -1.1740e-001 2.1811e+004 1.3919e+002 3.4044e+002
-# -Range: 0-300
-
-Hedenbergite
- CaFe(SiO3)2 +4.0000 H+ = + 1.0000 Ca++ + 1.0000 Fe++ + 2.0000 H2O + 2.0000 SiO2
- log_k 19.6060
- -delta_H -124.507 kJ/mol # Calculated enthalpy of reaction Hedenbergite
-# Enthalpy of formation: -678.276 kcal/mol
- -analytic -1.9473e+001 1.5288e-003 1.2910e+004 2.1729e+000 -9.0058e+005
-# -Range: 0-300
-
-Hematite
- Fe2O3 +6.0000 H+ = + 2.0000 Fe+++ + 3.0000 H2O
- log_k 0.1086
- -delta_H -129.415 kJ/mol # Calculated enthalpy of reaction Hematite
-# Enthalpy of formation: -197.72 kcal/mol
- -analytic -2.2015e+002 -6.0290e-002 1.1812e+004 8.0253e+001 1.8438e+002
-# -Range: 0-300
-
-Hercynite
- FeAl2O4 +8.0000 H+ = + 1.0000 Fe++ + 2.0000 Al+++ + 4.0000 H2O
- log_k 28.8484
- -delta_H -345.961 kJ/mol # Calculated enthalpy of reaction Hercynite
-# Enthalpy of formation: -1966.45 kJ/mol
- -analytic -3.1848e+002 -7.9501e-002 2.5892e+004 1.1483e+002 4.0412e+002
-# -Range: 0-300
-
-Herzenbergite
- SnS +1.0000 H+ = + 1.0000 HS- + 1.0000 Sn++
- log_k -15.5786
- -delta_H 81.6466 kJ/mol # Calculated enthalpy of reaction Herzenbergite
-# Enthalpy of formation: -25.464 kcal/mol
- -analytic -1.3576e+002 -4.6594e-002 -1.1572e+003 5.5740e+001 -1.8018e+001
-# -Range: 0-300
-
-Heulandite
-# Ba.065Sr.175Ca.585K.132Na.383Al2.165Si6.835O18:6 +8.6600 H+ = + 0.0650 Ba++ + 0.1320 K+ + 0.1750 Sr++ + 0.3830 Na+ + 0.5850 Ca++ + 2.1650 Al+++ + 6.8350 SiO2 + 10.3300 H2O
- Ba.065Sr.175Ca.585K.132Na.383Al2.165Si6.835O18:6H2O +8.6600 H+ = + 0.0650 Ba++ + 0.1320 K+ + 0.1750 Sr++ + 0.3830 Na+ + 0.5850 Ca++ + 2.1650 Al+++ + 6.8350 SiO2 + 10.3300 H2O
- log_k 3.3506
- -delta_H -97.2942 kJ/mol # Calculated enthalpy of reaction Heulandite
-# Enthalpy of formation: -10594.5 kJ/mol
- -analytic -1.8364e+001 2.7879e-002 2.8426e+004 -1.7427e+001 -3.4723e+006
-# -Range: 0-300
-
-Hexahydrite
- MgSO4:6H2O = + 1.0000 Mg++ + 1.0000 SO4-- + 6.0000 H2O
- log_k -1.7268
- -delta_H 0 # Not possible to calculate enthalpy of reaction Hexahydrite
-# Enthalpy of formation: 0 kcal/mol
-
-Hf(s)
- Hf +4.0000 H+ +1.0000 O2 = + 1.0000 Hf++++ + 2.0000 H2O
- log_k 189.9795
- -delta_H 0 # Not possible to calculate enthalpy of reaction Hf
-# Enthalpy of formation: -0.003 kJ/mol
-
-HfB2
- HfB2 +2.7500 H+ +2.2500 H2O = + 0.7500 B(OH)3 + 1.0000 Hf++++ + 1.2500 BH4-
- log_k 55.7691
- -delta_H 0 # Not possible to calculate enthalpy of reaction HfB2
-# Enthalpy of formation: -78.6 kJ/mol
-
-HfBr2
- HfBr2 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Hf++++ + 2.0000 Br-
- log_k 114.9446
- -delta_H 0 # Not possible to calculate enthalpy of reaction HfBr2
-# Enthalpy of formation: -98 kJ/mol
-
-HfBr4
- HfBr4 = + 1.0000 Hf++++ + 4.0000 Br-
- log_k 48.2921
- -delta_H 0 # Not possible to calculate enthalpy of reaction HfBr4
-# Enthalpy of formation: -183.1 kJ/mol
-
-HfC
- HfC +3.0000 H+ +2.0000 O2 = + 1.0000 H2O + 1.0000 HCO3- + 1.0000 Hf++++
- log_k 215.0827
- -delta_H 0 # Not possible to calculate enthalpy of reaction HfC
-# Enthalpy of formation: -54 kJ/mol
-
-HfCl2
- HfCl2 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Hf++++ + 2.0000 Cl-
- log_k 109.1624
- -delta_H 0 # Not possible to calculate enthalpy of reaction HfCl2
-# Enthalpy of formation: -125 kJ/mol
-
-HfCl4
- HfCl4 = + 1.0000 Hf++++ + 4.0000 Cl-
- log_k 38.0919
- -delta_H 0 # Not possible to calculate enthalpy of reaction HfCl4
-# Enthalpy of formation: -236.7 kJ/mol
-
-HfF2
- HfF2 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Hf++++ + 2.0000 F-
- log_k 81.7647
- -delta_H 0 # Not possible to calculate enthalpy of reaction HfF2
-# Enthalpy of formation: -235 kJ/mol
-
-HfF4
- HfF4 = + 1.0000 Hf++++ + 4.0000 F-
- log_k -19.2307
- -delta_H 0 # Not possible to calculate enthalpy of reaction HfF4
-# Enthalpy of formation: -461.4 kJ/mol
-
-HfI2
- HfI2 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Hf++++ + 2.0000 I-
- log_k 117.4971
- -delta_H 0 # Not possible to calculate enthalpy of reaction HfI2
-# Enthalpy of formation: -65 kJ/mol
-
-HfI4
- HfI4 = + 1.0000 Hf++++ + 4.0000 I-
- log_k 54.1798
- -delta_H 0 # Not possible to calculate enthalpy of reaction HfI4
-# Enthalpy of formation: -118 kJ/mol
-
-HfN
- HfN +4.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Hf++++ + 1.0000 NH3
- log_k 69.4646
- -delta_H 0 # Not possible to calculate enthalpy of reaction HfN
-# Enthalpy of formation: -89.3 kJ/mol
-
-HfO2
- HfO2 +4.0000 H+ = + 1.0000 Hf++++ + 2.0000 H2O
- log_k 1.1829
- -delta_H 0 # Not possible to calculate enthalpy of reaction HfO2
-# Enthalpy of formation: -267.1 kJ/mol
-
-HfS2
- HfS2 +2.0000 H+ = + 1.0000 Hf++++ + 2.0000 HS-
- log_k -1.5845
- -delta_H 0 # Not possible to calculate enthalpy of reaction HfS2
-# Enthalpy of formation: -140 kJ/mol
-
-HfS3
- HfS3 +1.0000 H+ = + 1.0000 HS- + 1.0000 Hf++++ + 1.0000 S2--
- log_k -18.9936
- -delta_H 0 # Not possible to calculate enthalpy of reaction HfS3
-# Enthalpy of formation: -149 kJ/mol
-
-Hg2SO4
- Hg2SO4 = + 1.0000 Hg2++ + 1.0000 SO4--
- log_k -6.1170
- -delta_H 0.30448 kJ/mol # Calculated enthalpy of reaction Hg2SO4
-# Enthalpy of formation: -743.09 kJ/mol
- -analytic -3.2342e+001 -1.9881e-002 1.6292e+003 1.0781e+001 2.7677e+001
-# -Range: 0-200
-
-Hg2SeO3
- Hg2SeO3 = + 1.0000 Hg2++ + 1.0000 SeO3--
- log_k -14.2132
- -delta_H 0 # Not possible to calculate enthalpy of reaction Hg2SeO3
-# Enthalpy of formation: 0 kcal/mol
-
-HgSeO3
- HgSeO3 = + 1.0000 Hg++ + 1.0000 SeO3--
- log_k -13.8957
- -delta_H 0 # Not possible to calculate enthalpy of reaction HgSeO3
-# Enthalpy of formation: 0 kcal/mol
-
-Hillebrandite
- Ca2SiO3(OH)2:0.17H2O +4.0000 H+ = + 1.0000 SiO2 + 2.0000 Ca++ + 3.1700 H2O
- log_k 36.8190
- -delta_H -203.074 kJ/mol # Calculated enthalpy of reaction Hillebrandite
-# Enthalpy of formation: -637.404 kcal/mol
- -analytic -1.9360e+001 -7.5176e-003 1.1947e+004 8.0558e+000 -1.4504e+005
-# -Range: 0-300
-
-Hinsdalite
- Al3PPbSO8(OH)6 +7.0000 H+ = + 1.0000 HPO4-- + 1.0000 Pb++ + 1.0000 SO4-- + 3.0000 Al+++ + 6.0000 H2O
- log_k 9.8218
- -delta_H 0 # Not possible to calculate enthalpy of reaction Hinsdalite
-# Enthalpy of formation: 0 kcal/mol
-
-Ho
- Ho +3.0000 H+ +0.7500 O2 = + 1.0000 Ho+++ + 1.5000 H2O
- log_k 182.8097
- -delta_H -1126.75 kJ/mol # Calculated enthalpy of reaction Ho
-# Enthalpy of formation: 0 kJ/mol
- -analytic -6.5903e+001 -2.8190e-002 5.9370e+004 2.3421e+001 9.2643e+002
-# -Range: 0-300
-
-Ho(OH)3
- Ho(OH)3 +3.0000 H+ = + 1.0000 Ho+++ + 3.0000 H2O
- log_k 15.3852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(OH)3
-# Enthalpy of formation: 0 kcal/mol
-
-Ho(OH)3(am)
- Ho(OH)3 +3.0000 H+ = + 1.0000 Ho+++ + 3.0000 H2O
- log_k 17.7852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(OH)3(am)
-# Enthalpy of formation: 0 kcal/mol
-
-Ho2(CO3)3
- Ho2(CO3)3 +3.0000 H+ = + 2.0000 Ho+++ + 3.0000 HCO3-
- log_k -2.8136
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ho2(CO3)3
-# Enthalpy of formation: 0 kcal/mol
-
-Ho2O3
- Ho2O3 +6.0000 H+ = + 2.0000 Ho+++ + 3.0000 H2O
- log_k 47.3000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ho2O3
-# Enthalpy of formation: 0 kcal/mol
-
-HoF3:.5H2O
- HoF3:.5H2O = + 0.5000 H2O + 1.0000 Ho+++ + 3.0000 F-
- log_k -16.4000
- -delta_H 0 # Not possible to calculate enthalpy of reaction HoF3:.5H2O
-# Enthalpy of formation: 0 kcal/mol
-
-HoPO4:10H2O
- HoPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Ho+++ + 10.0000 H2O
- log_k -11.8782
- -delta_H 0 # Not possible to calculate enthalpy of reaction HoPO4:10H2O
-# Enthalpy of formation: 0 kcal/mol
-
-Hopeite
- Zn3(PO4)2:4H2O +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Zn++ + 4.0000 H2O
- log_k -10.6563
- -delta_H 0 # Not possible to calculate enthalpy of reaction Hopeite
-# Enthalpy of formation: 0 kcal/mol
-
-Huntite
- CaMg3(CO3)4 +4.0000 H+ = + 1.0000 Ca++ + 3.0000 Mg++ + 4.0000 HCO3-
- log_k 10.3010
- -delta_H -171.096 kJ/mol # Calculated enthalpy of reaction Huntite
-# Enthalpy of formation: -1082.6 kcal/mol
- -analytic -6.5000e+002 -1.9671e-001 2.4815e+004 2.5688e+002 3.8740e+002
-# -Range: 0-300
-
-Hydroboracite
- MgCaB6O11:6H2O +4.0000 H+ +1.0000 H2O = + 1.0000 Ca++ + 1.0000 Mg++ + 6.0000 B(OH)3
- log_k 20.3631
- -delta_H 0 # Not possible to calculate enthalpy of reaction Hydroboracite
-# Enthalpy of formation: 0 kcal/mol
-
-Hydrocerussite
- Pb3(CO3)2(OH)2 +4.0000 H+ = + 2.0000 H2O + 2.0000 HCO3- + 3.0000 Pb++
- log_k 1.8477
- -delta_H 0 # Not possible to calculate enthalpy of reaction Hydrocerussite
-# Enthalpy of formation: 0 kcal/mol
-
-Hydromagnesite
- Mg5(CO3)4(OH)2:4H2O +6.0000 H+ = + 4.0000 HCO3- + 5.0000 Mg++ + 6.0000 H2O
- log_k 30.8539
- -delta_H -289.696 kJ/mol # Calculated enthalpy of reaction Hydromagnesite
-# Enthalpy of formation: -1557.09 kcal/mol
- -analytic -7.9288e+002 -2.1448e-001 3.6749e+004 3.0888e+002 5.7367e+002
-# -Range: 0-300
-
-Hydrophilite
- CaCl2 = + 1.0000 Ca++ + 2.0000 Cl-
- log_k 11.7916
- -delta_H -81.4545 kJ/mol # Calculated enthalpy of reaction Hydrophilite
-# Enthalpy of formation: -795.788 kJ/mol
- -analytic -2.2278e+002 -8.1414e-002 9.0298e+003 9.2349e+001 1.4097e+002
-# -Range: 0-300
-
-Hydroxylapatite
- Ca5(OH)(PO4)3 +4.0000 H+ = + 1.0000 H2O + 3.0000 HPO4-- + 5.0000 Ca++
- log_k -3.0746
- -delta_H -191.982 kJ/mol # Calculated enthalpy of reaction Hydroxylapatite
-# Enthalpy of formation: -6685.52 kJ/mol
- -analytic -8.5221e+002 -2.9430e-001 2.8125e+004 3.4044e+002 4.3911e+002
-# -Range: 0-300
-
-Hydrozincite
- Zn5(OH)6(CO3)2 +8.0000 H+ = + 2.0000 HCO3- + 5.0000 Zn++ + 6.0000 H2O
- log_k 30.3076
- -delta_H 0 # Not possible to calculate enthalpy of reaction Hydrozincite
-# Enthalpy of formation: 0 kcal/mol
-
-I2
- I2 +1.0000 H2O = + 0.5000 O2 + 2.0000 H+ + 2.0000 I-
- log_k -24.8084
- -delta_H 165.967 kJ/mol # Calculated enthalpy of reaction I2
-# Enthalpy of formation: 0 kJ/mol
- -analytic -1.7135e+002 -6.2810e-002 -4.7225e+003 7.3181e+001 -7.3640e+001
-# -Range: 0-300
-
-Ice
- H2O = + 1.0000 H2O
- log_k 0.1387
- -delta_H 6.74879 kJ/mol # Calculated enthalpy of reaction Ice
-# Enthalpy of formation: -69.93 kcal/mol
- -analytic -2.3260e+001 4.7948e-004 7.7351e+002 8.3499e+000 1.3143e+001
-# -Range: 0-200
-
-Illite
- K0.6Mg0.25Al1.8Al0.5Si3.5O10(OH)2 +8.0000 H+ = + 0.2500 Mg++ + 0.6000 K+ + 2.3000 Al+++ + 3.5000 SiO2 + 5.0000 H2O
- log_k 9.0260
- -delta_H -171.764 kJ/mol # Calculated enthalpy of reaction Illite
-# Enthalpy of formation: -1394.71 kcal/mol
- -analytic 2.6069e+001 -1.2553e-003 1.3670e+004 -2.0232e+001 -1.1204e+006
-# -Range: 0-300
-
-Ilmenite
- FeTiO3 +2.0000 H+ +1.0000 H2O = + 1.0000 Fe++ + 1.0000 Ti(OH)4
- log_k 0.9046
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ilmenite
-# Enthalpy of formation: -1236.65 kJ/mol
-
-In
- In +3.0000 H+ +0.7500 O2 = + 1.0000 In+++ + 1.5000 H2O
- log_k 81.6548
- -delta_H -524.257 kJ/mol # Calculated enthalpy of reaction In
-# Enthalpy of formation: 0 kJ/mol
- -analytic -1.1773e+002 -3.7657e-002 3.1802e+004 4.2438e+001 -9.6348e+004
-# -Range: 0-300
-
-Jadeite
- NaAl(SiO3)2 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Na+ + 2.0000 H2O + 2.0000 SiO2
- log_k 8.3888
- -delta_H -84.4415 kJ/mol # Calculated enthalpy of reaction Jadeite
-# Enthalpy of formation: -722.116 kcal/mol
- -analytic 1.5934e+000 5.0757e-003 9.5602e+003 -7.0164e+000 -8.4454e+005
-# -Range: 0-300
-
-Jarosite
- KFe3(SO4)2(OH)6 +6.0000 H+ = + 1.0000 K+ + 2.0000 SO4-- + 3.0000 Fe+++ + 6.0000 H2O
- log_k -9.3706
- -delta_H -191.343 kJ/mol # Calculated enthalpy of reaction Jarosite
-# Enthalpy of formation: -894.79 kcal/mol
- -analytic -1.0813e+002 -5.0381e-002 9.6893e+003 3.2832e+001 1.6457e+002
-# -Range: 0-200
-
-Jarosite-Na
- NaFe3(SO4)2(OH)6 +6.0000 H+ = + 1.0000 Na+ + 2.0000 SO4-- + 3.0000 Fe+++ + 6.0000 H2O
- log_k -5.4482
- -delta_H 0 # Not possible to calculate enthalpy of reaction Jarosite-Na
-# Enthalpy of formation: 0 kcal/mol
-
-K
- K +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 K+
- log_k 70.9861
- -delta_H -392.055 kJ/mol # Calculated enthalpy of reaction K
-# Enthalpy of formation: 0 kJ/mol
- -analytic -3.1102e+001 -1.0003e-002 2.1338e+004 1.3534e+001 3.3296e+002
-# -Range: 0-300
-
-K-Feldspar
- KAlSi3O8 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 2.0000 H2O + 3.0000 SiO2
- log_k -0.2753
- -delta_H -23.9408 kJ/mol # Calculated enthalpy of reaction K-Feldspar
-# Enthalpy of formation: -949.188 kcal/mol
- -analytic -1.0684e+000 1.3111e-002 1.1671e+004 -9.9129e+000 -1.5855e+006
-# -Range: 0-300
-
-K2CO3:1.5H2O
- K2CO3:1.5H2O +1.0000 H+ = + 1.0000 HCO3- + 1.5000 H2O + 2.0000 K+
- log_k 13.3785
- -delta_H 0 # Not possible to calculate enthalpy of reaction K2CO3:1.5H2O
-# Enthalpy of formation: 0 kcal/mol
-
-K2O
- K2O +2.0000 H+ = + 1.0000 H2O + 2.0000 K+
- log_k 84.0405
- -delta_H -427.006 kJ/mol # Calculated enthalpy of reaction K2O
-# Enthalpy of formation: -86.8 kcal/mol
- -analytic -1.8283e+001 -5.2255e-003 2.3184e+004 1.0553e+001 3.6177e+002
-# -Range: 0-300
-
-K2Se
- K2Se = + 1.0000 Se-- + 2.0000 K+
- log_k 11.2925
- -delta_H 0 # Not possible to calculate enthalpy of reaction K2Se
-# Enthalpy of formation: -92 kcal/mol
- -analytic 1.8182e+001 7.8828e-003 2.6345e+003 -7.3075e+000 4.4732e+001
-# -Range: 0-200
-
-K2UO4
- K2UO4 +4.0000 H+ = + 1.0000 UO2++ + 2.0000 H2O + 2.0000 K+
- log_k 33.8714
- -delta_H -174.316 kJ/mol # Calculated enthalpy of reaction K2UO4
-# Enthalpy of formation: -1920.7 kJ/mol
- -analytic -7.0905e+001 -2.5680e-003 1.2244e+004 2.6056e+001 2.0794e+002
-# -Range: 0-200
-
-K3H(SO4)2
- K3H(SO4)2 = + 1.0000 H+ + 2.0000 SO4-- + 3.0000 K+
- log_k -3.6233
- -delta_H 0 # Not possible to calculate enthalpy of reaction K3H(SO4)2
-# Enthalpy of formation: 0 kcal/mol
-
-K8H4(CO3)6:3H2O
- K8H4(CO3)6:3H2O +2.0000 H+ = + 3.0000 H2O + 6.0000 HCO3- + 8.0000 K+
- log_k 27.7099
- -delta_H 0 # Not possible to calculate enthalpy of reaction K8H4(CO3)6:3H2O
-# Enthalpy of formation: 0 kcal/mol
-
-KAl(SO4)2
- KAl(SO4)2 = + 1.0000 Al+++ + 1.0000 K+ + 2.0000 SO4--
- log_k 3.3647
- -delta_H -139.485 kJ/mol # Calculated enthalpy of reaction KAl(SO4)2
-# Enthalpy of formation: -2470.29 kJ/mol
- -analytic -4.2785e+002 -1.6303e-001 1.5311e+004 1.7312e+002 2.3904e+002
-# -Range: 0-300
-
-KBr
- KBr = + 1.0000 Br- + 1.0000 K+
- log_k 1.0691
- -delta_H 20.125 kJ/mol # Calculated enthalpy of reaction KBr
-# Enthalpy of formation: -393.798 kJ/mol
- -analytic -7.3164e+001 -3.1240e-002 4.8140e+002 3.3104e+001 7.5336e+000
-# -Range: 0-300
-
-KMgCl3
- KMgCl3 = + 1.0000 K+ + 1.0000 Mg++ + 3.0000 Cl-
- log_k 21.2618
- -delta_H -132.768 kJ/mol # Calculated enthalpy of reaction KMgCl3
-# Enthalpy of formation: -1086.6 kJ/mol
- -analytic -8.4641e+000 -3.2688e-002 5.1496e+003 8.9652e+000 8.7450e+001
-# -Range: 0-200
-
-KMgCl3:2H2O
- KMgCl3:2H2O = + 1.0000 K+ + 1.0000 Mg++ + 2.0000 H2O + 3.0000 Cl-
- log_k 13.9755
- -delta_H -76.8449 kJ/mol # Calculated enthalpy of reaction KMgCl3:2H2O
-# Enthalpy of formation: -1714.2 kJ/mol
- -analytic -5.9982e+001 -3.3015e-002 4.6174e+003 2.7602e+001 7.8431e+001
-# -Range: 0-200
-
-KNaCO3:6H2O
- KNaCO3:6H2O +1.0000 H+ = + 1.0000 HCO3- + 1.0000 K+ + 1.0000 Na+ + 6.0000 H2O
- log_k 10.2593
- -delta_H 0 # Not possible to calculate enthalpy of reaction KNaCO3:6H2O
-# Enthalpy of formation: 0 kcal/mol
-
-KTcO4
- KTcO4 = + 1.0000 K+ + 1.0000 TcO4-
- log_k -2.2667
- -delta_H 53.2363 kJ/mol # Calculated enthalpy of reaction KTcO4
-# Enthalpy of formation: -1021.67 kJ/mol
- -analytic 1.8058e+001 -8.4795e-004 -2.3985e+003 -4.1788e+000 -1.5029e+005
-# -Range: 0-300
-
-KUO2AsO4
- KUO2AsO4 +2.0000 H+ = + 1.0000 H2AsO4- + 1.0000 K+ + 1.0000 UO2++
- log_k -4.1741
- -delta_H 0 # Not possible to calculate enthalpy of reaction KUO2AsO4
-# Enthalpy of formation: 0 kcal/mol
-
-Kainite
- KMgClSO4:3H2O = + 1.0000 Cl- + 1.0000 K+ + 1.0000 Mg++ + 1.0000 SO4-- + 3.0000 H2O
- log_k -0.3114
- -delta_H 0 # Not possible to calculate enthalpy of reaction Kainite
-# Enthalpy of formation: 0 kcal/mol
-
-Kalicinite
- KHCO3 = + 1.0000 HCO3- + 1.0000 K+
- log_k 0.2837
- -delta_H 0 # Not possible to calculate enthalpy of reaction Kalicinite
-# Enthalpy of formation: 0 kcal/mol
-
-Kalsilite
- KAlSiO4 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 1.0000 SiO2 + 2.0000 H2O
- log_k 10.8987
- -delta_H -108.583 kJ/mol # Calculated enthalpy of reaction Kalsilite
-# Enthalpy of formation: -509.408 kcal/mol
- -analytic -6.7595e+000 -7.4301e-003 6.5380e+003 1.8999e-001 -2.2880e+005
-# -Range: 0-300
-
-Kaolinite
- Al2Si2O5(OH)4 +6.0000 H+ = + 2.0000 Al+++ + 2.0000 SiO2 + 5.0000 H2O
- log_k 6.8101
- -delta_H -151.779 kJ/mol # Calculated enthalpy of reaction Kaolinite
-# Enthalpy of formation: -982.221 kcal/mol
- -analytic 1.6835e+001 -7.8939e-003 7.7636e+003 -1.2190e+001 -3.2354e+005
-# -Range: 0-300
-
-Karelianite
- V2O3 +6.0000 H+ = + 2.0000 V+++ + 3.0000 H2O
- log_k 9.9424
- -delta_H -160.615 kJ/mol # Calculated enthalpy of reaction Karelianite
-# Enthalpy of formation: -1218.98 kJ/mol
- -analytic -2.7961e+001 -7.1499e-003 6.7749e+003 5.8146e+000 2.6039e+005
-# -Range: 0-300
-
-Kasolite
- Pb(UO2)SiO4:H2O +4.0000 H+ = + 1.0000 Pb++ + 1.0000 SiO2 + 1.0000 UO2++ + 3.0000 H2O
- log_k 7.2524
- -delta_H 0 # Not possible to calculate enthalpy of reaction Kasolite
-# Enthalpy of formation: 0 kcal/mol
-
-Katoite
- Ca3Al2H12O12 +12.0000 H+ = + 2.0000 Al+++ + 3.0000 Ca++ + 12.0000 H2O
- log_k 78.9437
- -delta_H 0 # Not possible to calculate enthalpy of reaction Katoite
-# Enthalpy of formation: 0 kcal/mol
-
-Kieserite
- MgSO4:H2O = + 1.0000 H2O + 1.0000 Mg++ + 1.0000 SO4--
- log_k -0.2670
- -delta_H 0 # Not possible to calculate enthalpy of reaction Kieserite
-# Enthalpy of formation: 0 kcal/mol
-
-Klockmannite
- CuSe = + 1.0000 Cu++ + 1.0000 Se--
- log_k -41.6172
- -delta_H 0 # Not possible to calculate enthalpy of reaction Klockmannite
-# Enthalpy of formation: -10 kcal/mol
- -analytic -2.3021e+001 -2.1458e-003 -8.5938e+003 4.3900e+000 -1.4593e+002
-# -Range: 0-200
-
-Krutaite
- CuSe2 +1.0000 H2O = + 0.5000 O2 + 1.0000 Cu++ + 2.0000 H+ + 2.0000 Se--
- log_k -107.6901
- -delta_H 0 # Not possible to calculate enthalpy of reaction Krutaite
-# Enthalpy of formation: -11.5 kcal/mol
- -analytic -3.7735e+001 -8.7548e-004 -2.6352e+004 7.5528e+000 -4.4749e+002
-# -Range: 0-200
-
-Kyanite
- Al2SiO5 +6.0000 H+ = + 1.0000 SiO2 + 2.0000 Al+++ + 3.0000 H2O
- log_k 15.6740
- -delta_H -230.919 kJ/mol # Calculated enthalpy of reaction Kyanite
-# Enthalpy of formation: -616.897 kcal/mol
- -analytic -7.3335e+001 -3.2853e-002 1.2166e+004 2.3412e+001 1.8986e+002
-# -Range: 0-300
-
-La
- La +3.0000 H+ +0.7500 O2 = + 1.0000 La+++ + 1.5000 H2O
- log_k 184.7155
- -delta_H -1129.26 kJ/mol # Calculated enthalpy of reaction La
-# Enthalpy of formation: 0 kJ/mol
- -analytic -5.9508e+001 -2.7578e-002 5.9327e+004 2.1589e+001 9.2577e+002
-# -Range: 0-300
-
-La(OH)3
- La(OH)3 +3.0000 H+ = + 1.0000 La+++ + 3.0000 H2O
- log_k 20.2852
- -delta_H 0 # Not possible to calculate enthalpy of reaction La(OH)3
-# Enthalpy of formation: 0 kcal/mol
-
-La(OH)3(am)
- La(OH)3 +3.0000 H+ = + 1.0000 La+++ + 3.0000 H2O
- log_k 23.4852
- -delta_H 0 # Not possible to calculate enthalpy of reaction La(OH)3(am)
-# Enthalpy of formation: 0 kcal/mol
-
-La2(CO3)3:8H2O
- La2(CO3)3:8H2O +3.0000 H+ = + 2.0000 La+++ + 3.0000 HCO3- + 8.0000 H2O
- log_k -4.3136
- -delta_H 0 # Not possible to calculate enthalpy of reaction La2(CO3)3:8H2O
-# Enthalpy of formation: 0 kcal/mol
-
-La2O3
- La2O3 +6.0000 H+ = + 2.0000 La+++ + 3.0000 H2O
- log_k 66.2000
- -delta_H 0 # Not possible to calculate enthalpy of reaction La2O3
-# Enthalpy of formation: 0 kcal/mol
-
-LaCl3
- LaCl3 = + 1.0000 La+++ + 3.0000 Cl-
- log_k 14.4000
- -delta_H 0 # Not possible to calculate enthalpy of reaction LaCl3
-# Enthalpy of formation: 0 kcal/mol
-
-LaCl3:7H2O
- LaCl3:7H2O = + 1.0000 La+++ + 3.0000 Cl- + 7.0000 H2O
- log_k 4.7000
- -delta_H 0 # Not possible to calculate enthalpy of reaction LaCl3:7H2O
-# Enthalpy of formation: 0 kcal/mol
-
-LaF3:.5H2O
- LaF3:.5H2O = + 0.5000 H2O + 1.0000 La+++ + 3.0000 F-
- log_k -18.7000
- -delta_H 0 # Not possible to calculate enthalpy of reaction LaF3:.5H2O
-# Enthalpy of formation: 0 kcal/mol
-
-LaPO4:10H2O
- LaPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 La+++ + 10.0000 H2O
- log_k -12.3782
- -delta_H 0 # Not possible to calculate enthalpy of reaction LaPO4:10H2O
-# Enthalpy of formation: 0 kcal/mol
-
-Lammerite
- Cu3(AsO4)2 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 Cu++
- log_k 1.5542
- -delta_H 0 # Not possible to calculate enthalpy of reaction Lammerite
-# Enthalpy of formation: 0 kcal/mol
-Lanarkite
- Pb2(SO4)O +2.0000 H+ = + 1.0000 H2O + 1.0000 SO4-- + 2.0000 Pb++
- log_k -0.4692
- -delta_H -22.014 kJ/mol # Calculated enthalpy of reaction Lanarkite
-# Enthalpy of formation: -1171.59 kJ/mol
- -analytic 5.1071e+000 -1.6655e-002 0.0000e+000 0.0000e+000 -5.5660e+004
-# -Range: 0-200
-
-Lansfordite
- MgCO3:5H2O +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Mg++ + 5.0000 H2O
- log_k 4.8409
- -delta_H 0 # Not possible to calculate enthalpy of reaction Lansfordite
-# Enthalpy of formation: 0 kcal/mol
-
-Larnite
- Ca2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 Ca++ + 2.0000 H2O
- log_k 38.4665
- -delta_H -227.061 kJ/mol # Calculated enthalpy of reaction Larnite
-# Enthalpy of formation: -551.74 kcal/mol
- -analytic 2.6900e+001 -2.1833e-003 1.0900e+004 -9.5257e+000 -7.2537e+004
-# -Range: 0-300
-
-Laumontite
- CaAl2Si4O12:4H2O +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Al+++ + 4.0000 SiO2 + 8.0000 H2O
- log_k 13.6667
- -delta_H -184.657 kJ/mol # Calculated enthalpy of reaction Laumontite
-# Enthalpy of formation: -1728.66 kcal/mol
- -analytic 1.1904e+000 8.1763e-003 1.9005e+004 -1.4561e+001 -1.5851e+006
-# -Range: 0-300
-
-Laurite
- RuS2 = + 1.0000 Ru++ + 1.0000 S2--
- log_k -73.2649
- -delta_H 0 # Not possible to calculate enthalpy of reaction Laurite
-# Enthalpy of formation: -199.586 kJ/mol
-
-Lawrencite
- FeCl2 = + 1.0000 Fe++ + 2.0000 Cl-
- log_k 9.0945
- -delta_H -84.7665 kJ/mol # Calculated enthalpy of reaction Lawrencite
-# Enthalpy of formation: -341.65 kJ/mol
- -analytic -2.2798e+002 -8.1819e-002 9.2620e+003 9.3097e+001 1.4459e+002
-# -Range: 0-300
-
-Lawsonite
- CaAl2Si2O7(OH)2:H2O +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Al+++ + 2.0000 SiO2 + 6.0000 H2O
- log_k 22.2132
- -delta_H -244.806 kJ/mol # Calculated enthalpy of reaction Lawsonite
-# Enthalpy of formation: -1158.1 kcal/mol
- -analytic 1.3995e+001 -1.7668e-002 1.0119e+004 -8.3100e+000 1.5789e+002
-# -Range: 0-300
-
-Leonite
- K2Mg(SO4)2:4H2O = + 1.0000 Mg++ + 2.0000 K+ + 2.0000 SO4-- + 4.0000 H2O
- log_k -4.1123
- -delta_H 0 # Not possible to calculate enthalpy of reaction Leonite
-# Enthalpy of formation: 0 kcal/mol
-
-Li
- Li +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Li+
- log_k 72.7622
- -delta_H -418.339 kJ/mol # Calculated enthalpy of reaction Li
-# Enthalpy of formation: 0 kJ/mol
- -analytic -1.0227e+002 -1.8118e-002 2.6262e+004 3.8056e+001 -1.6166e+005
-# -Range: 0-300
-
-Li2Se
- Li2Se +1.5000 O2 = + 1.0000 SeO3-- + 2.0000 Li+
- log_k 102.8341
- -delta_H -646.236 kJ/mol # Calculated enthalpy of reaction Li2Se
-# Enthalpy of formation: -96 kcal/mol
- -analytic 1.1933e+002 -6.9663e-003 2.7509e+004 -4.3124e+001 4.6710e+002
-# -Range: 0-200
-
-Li2UO4
- Li2UO4 +4.0000 H+ = + 1.0000 UO2++ + 2.0000 H2O + 2.0000 Li+
- log_k 27.8421
- -delta_H -179.384 kJ/mol # Calculated enthalpy of reaction Li2UO4
-# Enthalpy of formation: -1968.2 kJ/mol
- -analytic -1.4470e+002 -1.2024e-002 1.4899e+004 5.0984e+001 2.5306e+002
-# -Range: 0-200
-
-LiUO2AsO4
- LiUO2AsO4 +2.0000 H+ = + 1.0000 H2AsO4- + 1.0000 Li+ + 1.0000 UO2++
- log_k -0.7862
- -delta_H 0 # Not possible to calculate enthalpy of reaction LiUO2AsO4
-# Enthalpy of formation: 0 kcal/mol
-
-Lime
- CaO +2.0000 H+ = + 1.0000 Ca++ + 1.0000 H2O
- log_k 32.5761
- -delta_H -193.832 kJ/mol # Calculated enthalpy of reaction Lime
-# Enthalpy of formation: -151.79 kcal/mol
- -analytic -7.2686e+001 -1.7654e-002 1.2199e+004 2.8128e+001 1.9037e+002
-# -Range: 0-300
-
-Linnaeite
- Co3S4 +4.0000 H+ = + 1.0000 Co++ + 2.0000 Co+++ + 4.0000 HS-
- log_k -106.9017
- -delta_H 420.534 kJ/mol # Calculated enthalpy of reaction Linnaeite
-# Enthalpy of formation: -85.81 kcal/mol
- -analytic -6.0034e+002 -2.0179e-001 -9.2145e+003 2.3618e+002 -1.4361e+002
-# -Range: 0-300
-
-Litharge
- PbO +2.0000 H+ = + 1.0000 H2O + 1.0000 Pb++
- log_k 12.6388
- -delta_H -65.9118 kJ/mol # Calculated enthalpy of reaction Litharge
-# Enthalpy of formation: -219.006 kJ/mol
- -analytic -1.8683e+001 -2.0211e-003 4.1876e+003 7.2239e+000 7.1118e+001
-# -Range: 0-200
-
-Lopezite
- K2Cr2O7 +1.0000 H2O = + 2.0000 CrO4-- + 2.0000 H+ + 2.0000 K+
- log_k -17.4366
- -delta_H 81.9227 kJ/mol # Calculated enthalpy of reaction Lopezite
-# Enthalpy of formation: -493.003 kcal/mol
- -analytic 7.8359e+001 -2.2908e-002 -9.3812e+003 -2.3245e+001 -1.5933e+002
-# -Range: 0-200
-
-Lu
- Lu +3.0000 H+ +0.7500 O2 = + 1.0000 Lu+++ + 1.5000 H2O
- log_k 181.3437
- -delta_H -1122.15 kJ/mol # Calculated enthalpy of reaction Lu
-# Enthalpy of formation: 0 kJ/mol
- -analytic -6.8950e+001 -2.8643e-002 5.9209e+004 2.4332e+001 9.2392e+002
-# -Range: 0-300
-
-Lu(OH)3
- Lu(OH)3 +3.0000 H+ = + 1.0000 Lu+++ + 3.0000 H2O
- log_k 14.4852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(OH)3
-# Enthalpy of formation: 0 kcal/mol
-
-Lu(OH)3(am)
- Lu(OH)3 +3.0000 H+ = + 1.0000 Lu+++ + 3.0000 H2O
- log_k 18.9852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(OH)3(am)
-# Enthalpy of formation: 0 kcal/mol
-
-Lu2(CO3)3
- Lu2(CO3)3 +3.0000 H+ = + 2.0000 Lu+++ + 3.0000 HCO3-
- log_k -2.0136
- -delta_H 0 # Not possible to calculate enthalpy of reaction Lu2(CO3)3
-# Enthalpy of formation: 0 kcal/mol
-
-Lu2O3
- Lu2O3 +6.0000 H+ = + 2.0000 Lu+++ + 3.0000 H2O
- log_k 45.0000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Lu2O3
-# Enthalpy of formation: 0 kcal/mol
-
-LuF3:.5H2O
- LuF3:.5H2O = + 0.5000 H2O + 1.0000 Lu+++ + 3.0000 F-
- log_k -15.9000
- -delta_H 0 # Not possible to calculate enthalpy of reaction LuF3:.5H2O
-# Enthalpy of formation: 0 kcal/mol
-
-LuPO4:10H2O
- LuPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Lu+++ + 10.0000 H2O
- log_k -11.6782
- -delta_H 0 # Not possible to calculate enthalpy of reaction LuPO4:10H2O
-# Enthalpy of formation: 0 kcal/mol
-
-Magnesiochromite
- MgCr2O4 +8.0000 H+ = + 1.0000 Mg++ + 2.0000 Cr+++ + 4.0000 H2O
- log_k 21.6927
- -delta_H -302.689 kJ/mol # Calculated enthalpy of reaction Magnesiochromite
-# Enthalpy of formation: -1783.6 kJ/mol
- -analytic -1.7376e+002 -8.7429e-003 2.1600e+004 5.0762e+001 3.6685e+002
-# -Range: 0-200
-
-Magnesite
- MgCO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Mg++
- log_k 2.2936
- -delta_H -44.4968 kJ/mol # Calculated enthalpy of reaction Magnesite
-# Enthalpy of formation: -265.63 kcal/mol
- -analytic -1.6665e+002 -4.9469e-002 6.4344e+003 6.5506e+001 1.0045e+002
-# -Range: 0-300
-
-Magnetite
- Fe3O4 +8.0000 H+ = + 1.0000 Fe++ + 2.0000 Fe+++ + 4.0000 H2O
- log_k 10.4724
- -delta_H -216.597 kJ/mol # Calculated enthalpy of reaction Magnetite
-# Enthalpy of formation: -267.25 kcal/mol
- -analytic -3.0510e+002 -7.9919e-002 1.8709e+004 1.1178e+002 2.9203e+002
-# -Range: 0-300
-
-Malachite
- Cu2CO3(OH)2 +3.0000 H+ = + 1.0000 HCO3- + 2.0000 Cu++ + 2.0000 H2O
- log_k 5.9399
- -delta_H -76.2827 kJ/mol # Calculated enthalpy of reaction Malachite
-# Enthalpy of formation: -251.9 kcal/mol
- -analytic -2.7189e+002 -6.9454e-002 1.1451e+004 1.0511e+002 1.7877e+002
-# -Range: 0-300
-
-Manganite
- MnO(OH) +3.0000 H+ = + 1.0000 Mn+++ + 2.0000 H2O
- log_k -0.1646
- -delta_H 0 # Not possible to calculate enthalpy of reaction Manganite
-# Enthalpy of formation: 0 kcal/mol
-
-Manganosite
- MnO +2.0000 H+ = + 1.0000 H2O + 1.0000 Mn++
- log_k 17.9240
- -delta_H -121.215 kJ/mol # Calculated enthalpy of reaction Manganosite
-# Enthalpy of formation: -92.07 kcal/mol
- -analytic -8.4114e+001 -1.8490e-002 8.7792e+003 3.1561e+001 1.3702e+002
-# -Range: 0-300
-
-Margarite
- CaAl4Si2O10(OH)2 +14.0000 H+ = + 1.0000 Ca++ + 2.0000 SiO2 + 4.0000 Al+++ + 8.0000 H2O
- log_k 41.0658
- -delta_H -522.192 kJ/mol # Calculated enthalpy of reaction Margarite
-# Enthalpy of formation: -1485.8 kcal/mol
- -analytic -2.3138e+002 -8.2788e-002 3.0154e+004 7.9148e+001 4.7060e+002
-# -Range: 0-300
-
-Massicot
- PbO +2.0000 H+ = + 1.0000 H2O + 1.0000 Pb++
- log_k 12.8210
- -delta_H -67.6078 kJ/mol # Calculated enthalpy of reaction Massicot
-# Enthalpy of formation: -217.31 kJ/mol
- -analytic -1.8738e+001 -2.0125e-003 4.2739e+003 7.2018e+000 7.2584e+001
-# -Range: 0-200
-
-Matlockite
- PbFCl = + 1.0000 Cl- + 1.0000 F- + 1.0000 Pb++
- log_k -9.4300
- -delta_H 0 # Not possible to calculate enthalpy of reaction Matlockite
-# Enthalpy of formation: 0 kcal/mol
-
-Maximum_Microcline
- KAlSi3O8 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 2.0000 H2O + 3.0000 SiO2
- log_k -0.2753
- -delta_H -23.9408 kJ/mol # Calculated enthalpy of reaction Maximum_Microcline
-# Enthalpy of formation: -949.188 kcal/mol
- -analytic -9.4387e+000 1.3561e-002 1.2656e+004 -7.4925e+000 -1.6795e+006
-# -Range: 0-300
-
-Mayenite
- Ca12Al14O33 +66.0000 H+ = + 12.0000 Ca++ + 14.0000 Al+++ + 33.0000 H2O
- log_k 494.2199
- -delta_H -4056.77 kJ/mol # Calculated enthalpy of reaction Mayenite
-# Enthalpy of formation: -4644 kcal/mol
- -analytic -1.4778e+003 -2.9898e-001 2.4918e+005 4.9518e+002 4.2319e+003
-# -Range: 0-200
-
-Melanterite
- FeSO4:7H2O = + 1.0000 Fe++ + 1.0000 SO4-- + 7.0000 H2O
- log_k -2.3490
- -delta_H 11.7509 kJ/mol # Calculated enthalpy of reaction Melanterite
-# Enthalpy of formation: -3014.48 kJ/mol
- -analytic -2.6230e+002 -7.2469e-002 6.5854e+003 1.0484e+002 1.0284e+002
-# -Range: 0-300
-
-Mercallite
- KHSO4 = + 1.0000 H+ + 1.0000 K+ + 1.0000 SO4--
- log_k -1.4389
- -delta_H 0 # Not possible to calculate enthalpy of reaction Mercallite
-# Enthalpy of formation: 0 kcal/mol
-
-Merwinite
- MgCa3(SiO4)2 +8.0000 H+ = + 1.0000 Mg++ + 2.0000 SiO2 + 3.0000 Ca++ + 4.0000 H2O
- log_k 68.5140
- -delta_H -430.069 kJ/mol # Calculated enthalpy of reaction Merwinite
-# Enthalpy of formation: -1090.8 kcal/mol
- -analytic -2.2524e+002 -4.2525e-002 3.5619e+004 7.9984e+001 -9.8259e+005
-# -Range: 0-300
-
-Mesolite
- Na.676Ca.657Al1.99Si3.01O10:2.647H2O +7.9600 H+ = + 0.6570 Ca++ + 0.6760 Na+ + 1.9900 Al+++ + 3.0100 SiO2 + 6.6270 H2O
- log_k 13.6191
- -delta_H -179.744 kJ/mol # Calculated enthalpy of reaction Mesolite
-# Enthalpy of formation: -5947.05 kJ/mol
- -analytic 7.1993e+000 5.9356e-003 1.4717e+004 -1.3627e+001 -9.8863e+005
-# -Range: 0-300
-
-Metacinnabar
- HgS +1.0000 H+ = + 1.0000 HS- + 1.0000 Hg++
- log_k -38.5979
- -delta_H 203.426 kJ/mol # Calculated enthalpy of reaction Metacinnabar
-# Enthalpy of formation: -11.8 kcal/mol
- -analytic -1.5399e+002 -4.6740e-002 -6.7875e+003 6.1456e+001 -1.0587e+002
-# -Range: 0-300
-
-Mg
- Mg +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Mg++
- log_k 122.5365
- -delta_H -745.731 kJ/mol # Calculated enthalpy of reaction Mg
-# Enthalpy of formation: 0 kJ/mol
- -analytic -6.5988e+001 -1.9356e-002 4.0318e+004 2.3862e+001 6.2914e+002
-# -Range: 0-300
-
-Mg1.25SO4(OH)0.5:0.5H2O
- Mg1.25SO4(OH)0.5:0.5H2O +0.5000 H+ = + 1.0000 H2O + 1.0000 SO4-- + 1.2500 Mg++
- log_k 5.2600
- -delta_H -97.1054 kJ/mol # Calculated enthalpy of reaction Mg1.25SO4(OH)0.5:0.5H2O
-# Enthalpy of formation: -401.717 kcal/mol
- -analytic -2.6791e+002 -8.7078e-002 1.1090e+004 1.0583e+002 1.7312e+002
-# -Range: 0-300
-
-Mg1.5SO4(OH)
- Mg1.5SO4(OH) +1.0000 H+ = + 1.0000 H2O + 1.0000 SO4-- + 1.5000 Mg++
- log_k 9.2551
- -delta_H -125.832 kJ/mol # Calculated enthalpy of reaction Mg1.5SO4(OH)
-# Enthalpy of formation: -422.693 kcal/mol
- -analytic -2.8698e+002 -9.1970e-002 1.3088e+004 1.1304e+002 2.0432e+002
-# -Range: 0-300
-
-Mg2V2O7
- Mg2V2O7 +1.0000 H2O = + 2.0000 H+ + 2.0000 Mg++ + 2.0000 VO4---
- log_k -30.9025
- -delta_H 0 # Not possible to calculate enthalpy of reaction Mg2V2O7
-# Enthalpy of formation: -2836.23 kJ/mol
-
-MgBr2
- MgBr2 = + 1.0000 Mg++ + 2.0000 Br-
- log_k 28.5302
- -delta_H -190.15 kJ/mol # Calculated enthalpy of reaction MgBr2
-# Enthalpy of formation: -124 kcal/mol
- -analytic -2.1245e+002 -7.6168e-002 1.4466e+004 8.6940e+001 2.2579e+002
-# -Range: 0-300
-
-MgBr2:6H2O
- MgBr2:6H2O = + 1.0000 Mg++ + 2.0000 Br- + 6.0000 H2O
- log_k 5.1656
- -delta_H -14.2682 kJ/mol # Calculated enthalpy of reaction MgBr2:6H2O
-# Enthalpy of formation: -2409.73 kJ/mol
- -analytic -1.3559e+002 -1.6479e-002 5.8571e+003 5.0924e+001 9.9508e+001
-# -Range: 0-200
-
-MgCl2:2H2O
- MgCl2:2H2O = + 1.0000 Mg++ + 2.0000 Cl- + 2.0000 H2O
- log_k 12.7763
- -delta_H -92.0895 kJ/mol # Calculated enthalpy of reaction MgCl2:2H2O
-# Enthalpy of formation: -1279.71 kJ/mol
- -analytic -2.5409e+002 -8.1413e-002 1.0941e+004 1.0281e+002 1.7080e+002
-# -Range: 0-300
-
-MgCl2:4H2O
- MgCl2:4H2O = + 1.0000 Mg++ + 2.0000 Cl- + 4.0000 H2O
- log_k 7.3581
- -delta_H -44.4602 kJ/mol # Calculated enthalpy of reaction MgCl2:4H2O
-# Enthalpy of formation: -1899.01 kJ/mol
- -analytic -2.7604e+002 -8.1648e-002 9.5501e+003 1.1140e+002 1.4910e+002
-# -Range: 0-300
-
-MgCl2:H2O
- MgCl2:H2O = + 1.0000 H2O + 1.0000 Mg++ + 2.0000 Cl-
- log_k 16.1187
- -delta_H -119.326 kJ/mol # Calculated enthalpy of reaction MgCl2:H2O
-# Enthalpy of formation: -966.631 kJ/mol
- -analytic -2.4414e+002 -8.1310e-002 1.1862e+004 9.8878e+001 1.8516e+002
-# -Range: 0-300
-
-MgOHCl
- MgOHCl +1.0000 H+ = + 1.0000 Cl- + 1.0000 H2O + 1.0000 Mg++
- log_k 15.9138
- -delta_H -118.897 kJ/mol # Calculated enthalpy of reaction MgOHCl
-# Enthalpy of formation: -191.2 kcal/mol
- -analytic -1.6614e+002 -4.9715e-002 1.0311e+004 6.5578e+001 1.6093e+002
-# -Range: 0-300
-
-MgSO4
- MgSO4 = + 1.0000 Mg++ + 1.0000 SO4--
- log_k 4.8781
- -delta_H -90.6421 kJ/mol # Calculated enthalpy of reaction MgSO4
-# Enthalpy of formation: -1284.92 kJ/mol
- -analytic -2.2439e+002 -7.9688e-002 9.3058e+003 8.9622e+001 1.4527e+002
-# -Range: 0-300
-
-MgSeO3
- MgSeO3 = + 1.0000 Mg++ + 1.0000 SeO3--
- log_k 1.7191
- -delta_H -74.9647 kJ/mol # Calculated enthalpy of reaction MgSeO3
-# Enthalpy of formation: -215.15 kcal/mol
- -analytic -2.2593e+002 -8.1045e-002 8.4609e+003 9.0278e+001 1.3209e+002
-# -Range: 0-300
-
-MgSeO3:6H2O
- MgSeO3:6H2O = + 1.0000 Mg++ + 1.0000 SeO3-- + 6.0000 H2O
- log_k -3.4222
- -delta_H 11.7236 kJ/mol # Calculated enthalpy of reaction MgSeO3:6H2O
-# Enthalpy of formation: -645.771 kcal/mol
- -analytic -1.2807e+002 -1.5418e-002 4.0565e+003 4.6728e+001 6.8929e+001
-# -Range: 0-200
-
-MgUO4
- MgUO4 +4.0000 H+ = + 1.0000 Mg++ + 1.0000 UO2++ + 2.0000 H2O
- log_k 23.0023
- -delta_H -199.336 kJ/mol # Calculated enthalpy of reaction MgUO4
-# Enthalpy of formation: -1857.3 kJ/mol
- -analytic -9.9954e+001 -2.0142e-002 1.3078e+004 3.4386e+001 2.0410e+002
-# -Range: 0-300
-
-MgV2O6
- MgV2O6 +2.0000 H2O = + 1.0000 Mg++ + 2.0000 VO4--- + 4.0000 H+
- log_k -45.8458
- -delta_H 0 # Not possible to calculate enthalpy of reaction MgV2O6
-# Enthalpy of formation: -2201.88 kJ/mol
-
-Millerite
- NiS +1.0000 H+ = + 1.0000 HS- + 1.0000 Ni++
- log_k -8.0345
- -delta_H 12.089 kJ/mol # Calculated enthalpy of reaction Millerite
-# Enthalpy of formation: -82.171 kJ/mol
- -analytic -1.4848e+002 -4.8834e-002 2.6981e+003 5.8976e+001 4.2145e+001
-# -Range: 0-300
-
-Minium
- Pb3O4 +8.0000 H+ = + 1.0000 Pb++++ + 2.0000 Pb++ + 4.0000 H2O
- log_k 16.2585
- -delta_H 0 # Not possible to calculate enthalpy of reaction Minium
-# Enthalpy of formation: -718.493 kJ/mol
-
-Minnesotaite
- Fe3Si4O10(OH)2 +6.0000 H+ = + 3.0000 Fe++ + 4.0000 H2O + 4.0000 SiO2
- log_k 13.9805
- -delta_H -105.211 kJ/mol # Calculated enthalpy of reaction Minnesotaite
-# Enthalpy of formation: -1153.37 kcal/mol
- -analytic -1.8812e+001 1.7261e-002 1.9804e+004 -6.4410e+000 -2.0433e+006
-# -Range: 0-300
-
-Mirabilite
- Na2SO4:10H2O = + 1.0000 SO4-- + 2.0000 Na+ + 10.0000 H2O
- log_k -1.1398
- -delta_H 79.4128 kJ/mol # Calculated enthalpy of reaction Mirabilite
-# Enthalpy of formation: -4328 kJ/mol
- -analytic -2.1877e+002 -3.6692e-003 5.9214e+003 8.0361e+001 1.0063e+002
-# -Range: 0-200
-
-Misenite
- K8H6(SO4)7 = + 6.0000 H+ + 7.0000 SO4-- + 8.0000 K+
- log_k -11.0757
- -delta_H 0 # Not possible to calculate enthalpy of reaction Misenite
-# Enthalpy of formation: 0 kcal/mol
-
-Mn
- Mn +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Mn++
- log_k 82.9505
- -delta_H -500.369 kJ/mol # Calculated enthalpy of reaction Mn
-# Enthalpy of formation: 0 kJ/mol
- -analytic -6.5558e+001 -2.0429e-002 2.7571e+004 2.5098e+001 4.3024e+002
-# -Range: 0-300
-
-Mn(OH)2(am)
- Mn(OH)2 +2.0000 H+ = + 1.0000 Mn++ + 2.0000 H2O
- log_k 15.3102
- -delta_H -97.1779 kJ/mol # Calculated enthalpy of reaction Mn(OH)2(am)
-# Enthalpy of formation: -695.096 kJ/mol
- -analytic -7.8518e+001 -7.5357e-003 8.0198e+003 2.7955e+001 1.3621e+002
-# -Range: 0-200
-
-Mn(OH)3
- Mn(OH)3 +3.0000 H+ = + 1.0000 Mn+++ + 3.0000 H2O
- log_k 6.3412
- -delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)3
-# Enthalpy of formation: 0 kcal/mol
-
-Mn3(PO4)2
- Mn3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Mn++
- log_k 0.8167
- -delta_H 0 # Not possible to calculate enthalpy of reaction Mn3(PO4)2
-# Enthalpy of formation: 0 kcal/mol
-
-MnCl2:2H2O
- MnCl2:2H2O = + 1.0000 Mn++ + 2.0000 Cl- + 2.0000 H2O
- log_k 4.0067
- -delta_H -34.4222 kJ/mol # Calculated enthalpy of reaction MnCl2:2H2O
-# Enthalpy of formation: -1092.01 kJ/mol
- -analytic -6.2823e+001 -2.3959e-002 2.9931e+003 2.5834e+001 5.0850e+001
-# -Range: 0-200
-
-MnCl2:4H2O
- MnCl2:4H2O = + 1.0000 Mn++ + 2.0000 Cl- + 4.0000 H2O
- log_k 2.7563
- -delta_H -10.7019 kJ/mol # Calculated enthalpy of reaction MnCl2:4H2O
-# Enthalpy of formation: -1687.41 kJ/mol
- -analytic -1.1049e+002 -2.3376e-002 4.0458e+003 4.3097e+001 6.8742e+001
-# -Range: 0-200
-
-MnCl2:H2O
- MnCl2:H2O = + 1.0000 H2O + 1.0000 Mn++ + 2.0000 Cl-
- log_k 5.5517
- -delta_H -50.8019 kJ/mol # Calculated enthalpy of reaction MnCl2:H2O
-# Enthalpy of formation: -789.793 kJ/mol
- -analytic -4.5051e+001 -2.5923e-002 2.8739e+003 1.9674e+001 4.8818e+001
-# -Range: 0-200
-
-MnHPO4
- MnHPO4 = + 1.0000 HPO4-- + 1.0000 Mn++
- log_k -12.9470
- -delta_H 0 # Not possible to calculate enthalpy of reaction MnHPO4
-# Enthalpy of formation: 0 kcal/mol
-
-MnO2(gamma)
- MnO2 = + 0.5000 Mn++ + 0.5000 MnO4--
- log_k -16.1261
- -delta_H 0 # Not possible to calculate enthalpy of reaction MnO2(gamma)
-# Enthalpy of formation: 0 kcal/mol
-
-MnSO4
- MnSO4 = + 1.0000 Mn++ + 1.0000 SO4--
- log_k 2.6561
- -delta_H -64.8718 kJ/mol # Calculated enthalpy of reaction MnSO4
-# Enthalpy of formation: -1065.33 kJ/mol
- -analytic -2.3088e+002 -8.2694e-002 8.1653e+003 9.3256e+001 1.2748e+002
-# -Range: 0-300
-
-MnSe
- MnSe = + 1.0000 Mn++ + 1.0000 Se--
- log_k -10.6848
- -delta_H 0 # Not possible to calculate enthalpy of reaction MnSe
-# Enthalpy of formation: -37 kcal/mol
- -analytic -5.9960e+001 -1.5963e-002 1.2813e+003 2.0095e+001 2.0010e+001
-# -Range: 0-300
-
-MnSeO3
- MnSeO3 = + 1.0000 Mn++ + 1.0000 SeO3--
- log_k -7.2700
- -delta_H 0 # Not possible to calculate enthalpy of reaction MnSeO3
-# Enthalpy of formation: 0 kcal/mol
-
-MnSeO3:2H2O
- MnSeO3:2H2O = + 1.0000 Mn++ + 1.0000 SeO3-- + 2.0000 H2O
- log_k -6.3219
- -delta_H 14.0792 kJ/mol # Calculated enthalpy of reaction MnSeO3:2H2O
-# Enthalpy of formation: -314.423 kcal/mol
- -analytic -4.3625e+001 -2.0426e-002 -2.5368e+002 1.7876e+001 -4.2927e+000
-# -Range: 0-200
-
-MnV2O6
- MnV2O6 +2.0000 H2O = + 1.0000 Mn++ + 2.0000 VO4--- + 4.0000 H+
- log_k -52.0751
- -delta_H 0 # Not possible to calculate enthalpy of reaction MnV2O6
-# Enthalpy of formation: -447.9 kcal/mol
-
-Mo
- Mo +1.5000 O2 +1.0000 H2O = + 1.0000 MoO4-- + 2.0000 H+
- log_k 109.3230
- -delta_H -693.845 kJ/mol # Calculated enthalpy of reaction Mo
-# Enthalpy of formation: 0 kJ/mol
- -analytic -2.0021e+002 -8.3006e-002 4.1629e+004 8.0219e+001 -3.4570e+005
-# -Range: 0-300
-
-MoSe2
- MoSe2 +3.0000 H2O +0.5000 O2 = + 1.0000 MoO4-- + 2.0000 Se-- + 6.0000 H+
- log_k -55.1079
- -delta_H 0 # Not possible to calculate enthalpy of reaction MoSe2
-# Enthalpy of formation: -47 kcal/mol
- -analytic 1.3882e+002 -1.8590e-003 -1.7231e+004 -5.4797e+001 -2.9265e+002
-# -Range: 0-200
-
-Modderite
- CoAs +3.0000 H+ = + 1.0000 AsH3 + 1.0000 Co+++
- log_k -49.5512
- -delta_H 189.016 kJ/mol # Calculated enthalpy of reaction Modderite
-# Enthalpy of formation: -12.208 kcal/mol
-
-Molysite
- FeCl3 = + 1.0000 Fe+++ + 3.0000 Cl-
- log_k 13.5517
- -delta_H -151.579 kJ/mol # Calculated enthalpy of reaction Molysite
-# Enthalpy of formation: -399.24 kJ/mol
- -analytic -3.1810e+002 -1.2357e-001 1.3860e+004 1.3010e+002 2.1637e+002
-# -Range: 0-300
-
-Monohydrocalcite
- CaCO3:H2O +1.0000 H+ = + 1.0000 Ca++ + 1.0000 H2O + 1.0000 HCO3-
- log_k 2.6824
- -delta_H -20.5648 kJ/mol # Calculated enthalpy of reaction Monohydrocalcite
-# Enthalpy of formation: -1498.29 kJ/mol
- -analytic -7.2614e+001 -1.7217e-002 3.1850e+003 2.8185e+001 5.4111e+001
-# -Range: 0-200
-
-Monteponite
- CdO +2.0000 H+ = + 1.0000 Cd++ + 1.0000 H2O
- log_k 15.0972
- -delta_H -103.386 kJ/mol # Calculated enthalpy of reaction Monteponite
-# Enthalpy of formation: -258.35 kJ/mol
- -analytic -5.0057e+001 -6.3629e-003 7.0898e+003 1.7486e+001 1.2041e+002
-# -Range: 0-200
-
-Monticellite
- CaMgSiO4 +4.0000 H+ = + 1.0000 Ca++ + 1.0000 Mg++ + 1.0000 SiO2 + 2.0000 H2O
- log_k 29.5852
- -delta_H -195.711 kJ/mol # Calculated enthalpy of reaction Monticellite
-# Enthalpy of formation: -540.8 kcal/mol
- -analytic 1.5730e+001 -3.5567e-003 9.0789e+003 -6.3007e+000 1.4166e+002
-# -Range: 0-300
-
-Montmor-Ca
- Ca.165Mg.33Al1.67Si4O10(OH)2 +6.0000 H+ = + 0.1650 Ca++ + 0.3300 Mg++ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2
- log_k 2.4952
- -delta_H -100.154 kJ/mol # Calculated enthalpy of reaction Montmor-Ca
-# Enthalpy of formation: -1361.5 kcal/mol
- -analytic 6.0725e+000 1.0644e-002 1.6024e+004 -1.6334e+001 -1.7982e+006
-# -Range: 0-300
-
-Montmor-Cs
- Cs.33Mg.33Al1.67Si4O10(OH)2 +6.0000 H+ = + 0.3300 Cs+ + 0.3300 Mg++ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2
- log_k 1.9913
- -delta_H -87.2259 kJ/mol # Calculated enthalpy of reaction Montmor-Cs
-# Enthalpy of formation: -1363.52 kcal/mol
- -analytic 9.9136e+000 1.2496e-002 1.5650e+004 -1.7601e+001 -1.8434e+006
-# -Range: 0-300
-
-Montmor-K
- K.33Mg.33Al1.67Si4O10(OH)2 +6.0000 H+ = + 0.3300 K+ + 0.3300 Mg++ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2
- log_k 2.1423
- -delta_H -88.184 kJ/mol # Calculated enthalpy of reaction Montmor-K
-# Enthalpy of formation: -1362.83 kcal/mol
- -analytic 8.4757e+000 1.1219e-002 1.5654e+004 -1.6833e+001 -1.8386e+006
-# -Range: 0-300
-
-Montmor-Mg
- Mg.495Al1.67Si4O10(OH)2 +6.0000 H+ = + 0.4950 Mg++ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2
- log_k 2.3879
- -delta_H -102.608 kJ/mol # Calculated enthalpy of reaction Montmor-Mg
-# Enthalpy of formation: -1357.87 kcal/mol
- -analytic -6.8505e+000 9.0710e-003 1.6817e+004 -1.1887e+001 -1.8323e+006
-# -Range: 0-300
-
-Montmor-Na
- Na.33Mg.33Al1.67Si4O10(OH)2 +6.0000 H+ = + 0.3300 Mg++ + 0.3300 Na+ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2
- log_k 2.4844
- -delta_H -93.2165 kJ/mol # Calculated enthalpy of reaction Montmor-Na
-# Enthalpy of formation: -1360.69 kcal/mol
- -analytic 1.9601e+000 1.1342e-002 1.6051e+004 -1.4718e+001 -1.8160e+006
-# -Range: 0-300
-
-Montroydite
- HgO +2.0000 H+ = + 1.0000 H2O + 1.0000 Hg++
- log_k 2.4486
- -delta_H -24.885 kJ/mol # Calculated enthalpy of reaction Montroydite
-# Enthalpy of formation: -90.79 kJ/mol
- -analytic -8.7302e+001 -1.7618e-002 4.0086e+003 3.2957e+001 6.2576e+001
-# -Range: 0-300
-
-Mordenite
- Ca.2895Na.361Al.94Si5.06O12:3.468H2O +3.7600 H+ = + 0.2895 Ca++ + 0.3610 Na+ + 0.9400 Al+++ + 5.0600 SiO2 + 5.3480 H2O
- log_k -5.1969
- -delta_H 16.7517 kJ/mol # Calculated enthalpy of reaction Mordenite
-# Enthalpy of formation: -6736.64 kJ/mol
- -analytic -5.4675e+001 3.2513e-002 2.3412e+004 -1.0419e+000 -3.2292e+006
-# -Range: 0-300
-
-Mordenite-dehy
- Ca.2895Na.361Al.94Si5.06O12 +3.7600 H+ = + 0.2895 Ca++ + 0.3610 Na+ + 0.9400 Al+++ + 1.8800 H2O + 5.0600 SiO2
- log_k 9.9318
- -delta_H -86.159 kJ/mol # Calculated enthalpy of reaction Mordenite-dehy
-# Enthalpy of formation: -5642.44 kJ/mol
- -analytic -5.0841e+001 2.5405e-002 2.7621e+004 -1.6331e+000 -3.1618e+006
-# -Range: 0-300
-
-Morenosite
- NiSO4:7H2O = + 1.0000 Ni++ + 1.0000 SO4-- + 7.0000 H2O
- log_k -2.0140
- -delta_H 12.0185 kJ/mol # Calculated enthalpy of reaction Morenosite
-# Enthalpy of formation: -2976.46 kJ/mol
- -analytic -2.6654e+002 -7.2132e-002 6.7983e+003 1.0636e+002 1.0616e+002
-# -Range: 0-300
-
-Muscovite
- KAl3Si3O10(OH)2 +10.0000 H+ = + 1.0000 K+ + 3.0000 Al+++ + 3.0000 SiO2 + 6.0000 H2O
- log_k 13.5858
- -delta_H -243.224 kJ/mol # Calculated enthalpy of reaction Muscovite
-# Enthalpy of formation: -1427.41 kcal/mol
- -analytic 3.3085e+001 -1.2425e-002 1.2477e+004 -2.0865e+001 -5.4692e+005
-# -Range: 0-300
-
-NH4HSe
- NH4HSe = + 1.0000 NH3 + 1.0000 Se-- + 2.0000 H+
- log_k -22.0531
- -delta_H 0 # Not possible to calculate enthalpy of reaction NH4HSe
-# Enthalpy of formation: -133.041 kJ/mol
- -analytic -8.8685e+000 6.7342e-003 -5.3028e+003 1.0468e+000 -9.0046e+001
-# -Range: 0-200
-Na
- Na +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Na+
- log_k 67.3804
- -delta_H -380.185 kJ/mol # Calculated enthalpy of reaction Na
-# Enthalpy of formation: 0 kJ/mol
- -analytic -4.0458e+001 -8.7899e-003 2.1223e+004 1.5927e+001 -1.2715e+004
-# -Range: 0-300
-
-Na2CO3
- Na2CO3 +1.0000 H+ = + 1.0000 HCO3- + 2.0000 Na+
- log_k 11.1822
- -delta_H -39.8526 kJ/mol # Calculated enthalpy of reaction Na2CO3
-# Enthalpy of formation: -1130.68 kJ/mol
- -analytic -1.5495e+002 -4.3374e-002 6.4821e+003 6.3571e+001 1.0119e+002
-# -Range: 0-300
-
-Na2CO3:7H2O
- Na2CO3:7H2O +1.0000 H+ = + 1.0000 HCO3- + 2.0000 Na+ + 7.0000 H2O
- log_k 9.9459
- -delta_H 27.7881 kJ/mol # Calculated enthalpy of reaction Na2CO3:7H2O
-# Enthalpy of formation: -3199.19 kJ/mol
- -analytic -2.0593e+002 -3.4509e-003 8.1601e+003 7.6594e+001 1.3864e+002
-# -Range: 0-200
-
-Na2Cr2O7
- Na2Cr2O7 +1.0000 H2O = + 2.0000 CrO4-- + 2.0000 H+ + 2.0000 Na+
- log_k -10.1597
- -delta_H 21.9702 kJ/mol # Calculated enthalpy of reaction Na2Cr2O7
-# Enthalpy of formation: -473 kcal/mol
- -analytic 4.4885e+001 -2.4919e-002 -5.0321e+003 -1.2430e+001 -8.5468e+001
-# -Range: 0-200
-
-Na2CrO4
- Na2CrO4 = + 1.0000 CrO4-- + 2.0000 Na+
- log_k 2.9103
- -delta_H -19.5225 kJ/mol # Calculated enthalpy of reaction Na2CrO4
-# Enthalpy of formation: -320.8 kcal/mol
- -analytic 5.4985e+000 -9.9008e-003 1.0510e+002 0.0000e+000 0.0000e+000
-# -Range: 0-200
-
-Na2O
- Na2O +2.0000 H+ = + 1.0000 H2O + 2.0000 Na+
- log_k 67.4269
- -delta_H -351.636 kJ/mol # Calculated enthalpy of reaction Na2O
-# Enthalpy of formation: -99.14 kcal/mol
- -analytic -6.3585e+001 -8.4695e-003 2.0923e+004 2.5601e+001 3.2651e+002
-# -Range: 0-300
-
-Na2Se
- Na2Se = + 1.0000 Se-- + 2.0000 Na+
- log_k 11.8352
- -delta_H 0 # Not possible to calculate enthalpy of reaction Na2Se
-# Enthalpy of formation: -81.9 kcal/mol
- -analytic -6.0070e+000 8.2821e-003 4.5816e+003 0.0000e+000 0.0000e+000
-# -Range: 0-200
-
-Na2Se2
- Na2Se2 +1.0000 H2O = + 0.5000 O2 + 2.0000 H+ + 2.0000 Na+ + 2.0000 Se--
- log_k -61.3466
- -delta_H 0 # Not possible to calculate enthalpy of reaction Na2Se2
-# Enthalpy of formation: -92.8 kcal/mol
- -analytic -2.7836e+001 7.7035e-003 -1.5040e+004 5.9131e+000 -2.5539e+002
-# -Range: 0-200
-
-Na2SiO3
- Na2SiO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 SiO2 + 2.0000 Na+
- log_k 22.2418
- -delta_H -82.7093 kJ/mol # Calculated enthalpy of reaction Na2SiO3
-# Enthalpy of formation: -373.19 kcal/mol
- -analytic -3.4928e+001 5.6905e-003 1.0284e+004 1.1197e+001 -6.0134e+005
-# -Range: 0-300
-
-Na2U2O7
- Na2U2O7 +6.0000 H+ = + 2.0000 Na+ + 2.0000 UO2++ + 3.0000 H2O
- log_k 22.5917
- -delta_H -172.314 kJ/mol # Calculated enthalpy of reaction Na2U2O7
-# Enthalpy of formation: -3203.8 kJ/mol
- -analytic -8.6640e+001 -1.0903e-002 1.1841e+004 2.9406e+001 1.8479e+002
-# -Range: 0-300
-
-Na2UO4(alpha)
- Na2UO4 +4.0000 H+ = + 1.0000 UO2++ + 2.0000 H2O + 2.0000 Na+
- log_k 30.0231
- -delta_H -173.576 kJ/mol # Calculated enthalpy of reaction Na2UO4(alpha)
-# Enthalpy of formation: -1897.7 kJ/mol
- -analytic -7.9767e+001 -1.0253e-002 1.1963e+004 2.9386e+001 1.8669e+002
-# -Range: 0-300
-
-Na3H(SO4)2
- Na3H(SO4)2 = + 1.0000 H+ + 2.0000 SO4-- + 3.0000 Na+
- log_k -0.8906
- -delta_H 0 # Not possible to calculate enthalpy of reaction Na3H(SO4)2
-# Enthalpy of formation: 0 kcal/mol
-
-Na3UO4
- Na3UO4 +4.0000 H+ = + 1.0000 UO2+ + 2.0000 H2O + 3.0000 Na+
- log_k 56.2574
- -delta_H -293.703 kJ/mol # Calculated enthalpy of reaction Na3UO4
-# Enthalpy of formation: -2024 kJ/mol
- -analytic -9.6724e+001 -6.2485e-003 1.9469e+004 3.6180e+001 3.0382e+002
-# -Range: 0-300
-
-Na4Ca(SO4)3:2H2O
- Na4Ca(SO4)3:2H2O = + 1.0000 Ca++ + 2.0000 H2O + 3.0000 SO4-- + 4.0000 Na+
- log_k -5.8938
- -delta_H 0 # Not possible to calculate enthalpy of reaction Na4Ca(SO4)3:2H2O
-# Enthalpy of formation: 0 kcal/mol
-
-Na4SiO4
- Na4SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 H2O + 4.0000 Na+
- log_k 70.6449
- -delta_H -327.779 kJ/mol # Calculated enthalpy of reaction Na4SiO4
-# Enthalpy of formation: -497.8 kcal/mol
- -analytic -1.1969e+002 -6.5032e-003 2.6469e+004 4.4626e+001 -6.2007e+005
-# -Range: 0-300
-
-Na4UO2(CO3)3
- Na4UO2(CO3)3 +3.0000 H+ = + 1.0000 UO2++ + 3.0000 HCO3- + 4.0000 Na+
- log_k 4.0395
- -delta_H 0 # Not possible to calculate enthalpy of reaction Na4UO2(CO3)3
-# Enthalpy of formation: 0 kcal/mol
-
-Na6Si2O7
- Na6Si2O7 +6.0000 H+ = + 2.0000 SiO2 + 3.0000 H2O + 6.0000 Na+
- log_k 101.6199
- -delta_H -471.951 kJ/mol # Calculated enthalpy of reaction Na6Si2O7
-# Enthalpy of formation: -856.3 kcal/mol
- -analytic -1.0590e+002 4.5576e-003 3.6830e+004 3.8030e+001 -1.0276e+006
-# -Range: 0-300
-
-NaBr
- NaBr = + 1.0000 Br- + 1.0000 Na+
- log_k 2.9739
- -delta_H -0.741032 kJ/mol # Calculated enthalpy of reaction NaBr
-# Enthalpy of formation: -361.062 kJ/mol
- -analytic -9.3227e+001 -3.2780e-002 2.2910e+003 3.9713e+001 3.5777e+001
-# -Range: 0-300
-
-NaBr:2H2O
- NaBr:2H2O = + 1.0000 Br- + 1.0000 Na+ + 2.0000 H2O
- log_k 2.1040
- -delta_H 18.4883 kJ/mol # Calculated enthalpy of reaction NaBr:2H2O
-# Enthalpy of formation: -951.968 kJ/mol
- -analytic -4.1855e+001 -4.6170e-003 8.3883e+002 1.7182e+001 1.4259e+001
-# -Range: 0-200
-
-NaFeO2
- NaFeO2 +4.0000 H+ = + 1.0000 Fe+++ + 1.0000 Na+ + 2.0000 H2O
- log_k 19.8899
- -delta_H -163.339 kJ/mol # Calculated enthalpy of reaction NaFeO2
-# Enthalpy of formation: -698.218 kJ/mol
- -analytic -7.0047e+001 -9.6226e-003 1.0647e+004 2.3071e+001 1.8082e+002
-# -Range: 0-200
-
-NaNpO2CO3:3.5H2O
- NaNpO2CO3:3.5H2O +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Na+ + 1.0000 NpO2+ + 3.5000 H2O
- log_k -1.2342
- -delta_H 27.0979 kJ/mol # Calculated enthalpy of reaction NaNpO2CO3:3.5H2O
-# Enthalpy of formation: -2935.76 kJ/mol
- -analytic -1.4813e+002 -2.7355e-002 3.6537e+003 5.7701e+001 5.7055e+001
-# -Range: 0-300
-
-NaTcO4
- NaTcO4 = + 1.0000 Na+ + 1.0000 TcO4-
- log_k 1.5208
- -delta_H 0 # Not possible to calculate enthalpy of reaction NaTcO4
-# Enthalpy of formation: 0 kcal/mol
-
-NaUO3
- NaUO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 Na+ + 1.0000 UO2+
- log_k 8.3371
- -delta_H -56.365 kJ/mol # Calculated enthalpy of reaction NaUO3
-# Enthalpy of formation: -1494.9 kJ/mol
- -analytic -3.6363e+001 7.0505e-004 4.5359e+003 1.1828e+001 7.0790e+001
-# -Range: 0-300
-
-Nahcolite
- NaHCO3 = + 1.0000 HCO3- + 1.0000 Na+
- log_k -0.1118
- -delta_H 17.0247 kJ/mol # Calculated enthalpy of reaction Nahcolite
-# Enthalpy of formation: -226.4 kcal/mol
- -analytic -2.2282e+002 -5.9693e-002 5.4887e+003 8.9744e+001 8.5712e+001
-# -Range: 0-300
-
-Nantokite
- CuCl = + 1.0000 Cl- + 1.0000 Cu+
- log_k -6.7623
- -delta_H 41.9296 kJ/mol # Calculated enthalpy of reaction Nantokite
-# Enthalpy of formation: -137.329 kJ/mol
- -analytic -2.2442e+001 -1.1201e-002 -1.8709e+003 1.0221e+001 -3.1763e+001
-# -Range: 0-200
-
-Natrolite
- Na2Al2Si3O10:2H2O +8.0000 H+ = + 2.0000 Al+++ + 2.0000 Na+ + 3.0000 SiO2 + 6.0000 H2O
- log_k 18.5204
- -delta_H -186.971 kJ/mol # Calculated enthalpy of reaction Natrolite
-# Enthalpy of formation: -5718.56 kJ/mol
- -analytic -2.7712e+001 -2.7963e-003 1.6075e+004 1.5332e+000 -9.5765e+005
-# -Range: 0-300
-
-Natron
- Na2CO3:10H2O +1.0000 H+ = + 1.0000 HCO3- + 2.0000 Na+ + 10.0000 H2O
- log_k 9.6102
- -delta_H 50.4781 kJ/mol # Calculated enthalpy of reaction Natron
-# Enthalpy of formation: -4079.39 kJ/mol
- -analytic -1.9981e+002 -2.9247e-002 5.2937e+003 8.0973e+001 8.2662e+001
-# -Range: 0-300
-
-Natrosilite
- Na2Si2O5 +2.0000 H+ = + 1.0000 H2O + 2.0000 Na+ + 2.0000 SiO2
- log_k 18.1337
- -delta_H -51.7686 kJ/mol # Calculated enthalpy of reaction Natrosilite
-# Enthalpy of formation: -590.36 kcal/mol
- -analytic -2.7628e+001 1.6865e-002 1.3302e+004 4.2356e+000 -1.2828e+006
-# -Range: 0-300
-
-Naumannite
- Ag2Se = + 1.0000 Se-- + 2.0000 Ag+
- log_k -57.4427
- -delta_H 0 # Not possible to calculate enthalpy of reaction Naumannite
-# Enthalpy of formation: -37.441 kJ/mol
- -analytic -5.3844e+001 -1.0965e-002 -1.4739e+004 1.9842e+001 -2.2998e+002
-# -Range: 0-300
-
-Nd
- Nd +3.0000 H+ +0.7500 O2 = + 1.0000 Nd+++ + 1.5000 H2O
- log_k 182.2233
- -delta_H -1116.29 kJ/mol # Calculated enthalpy of reaction Nd
-# Enthalpy of formation: 0 kJ/mol
- -analytic -2.7390e+002 -5.6545e-002 7.1502e+004 9.7969e+001 -8.2482e+005
-# -Range: 0-300
-
-Nd(OH)3
- Nd(OH)3 +3.0000 H+ = + 1.0000 Nd+++ + 3.0000 H2O
- log_k 18.0852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(OH)3
-# Enthalpy of formation: 0 kcal/mol
-
-Nd(OH)3(am)
- Nd(OH)3 +3.0000 H+ = + 1.0000 Nd+++ + 3.0000 H2O
- log_k 20.4852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(OH)3(am)
-# Enthalpy of formation: 0 kcal/mol
-
-Nd(OH)3(c)
- Nd(OH)3 +3.0000 H+ = + 1.0000 Nd+++ + 3.0000 H2O
- log_k 15.7852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(OH)3(c)
-# Enthalpy of formation: 0 kcal/mol
-
-Nd2(CO3)3
- Nd2(CO3)3 +3.0000 H+ = + 2.0000 Nd+++ + 3.0000 HCO3-
- log_k -3.6636
- -delta_H 0 # Not possible to calculate enthalpy of reaction Nd2(CO3)3
-# Enthalpy of formation: 0 kcal/mol
-
-Nd2O3
- Nd2O3 +6.0000 H+ = + 2.0000 Nd+++ + 3.0000 H2O
- log_k 58.6000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Nd2O3
-# Enthalpy of formation: 0 kcal/mol
-
-NdF3:.5H2O
- NdF3:.5H2O = + 0.5000 H2O + 1.0000 Nd+++ + 3.0000 F-
- log_k -18.6000
- -delta_H 0 # Not possible to calculate enthalpy of reaction NdF3:.5H2O
-# Enthalpy of formation: 0 kcal/mol
-
-NdOHCO3
- NdOHCO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 HCO3- + 1.0000 Nd+++
- log_k 2.8239
- -delta_H 0 # Not possible to calculate enthalpy of reaction NdOHCO3
-# Enthalpy of formation: 0 kcal/mol
-
-NdPO4:10H2O
- NdPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Nd+++ + 10.0000 H2O
- log_k -12.1782
- -delta_H 0 # Not possible to calculate enthalpy of reaction NdPO4:10H2O
-# Enthalpy of formation: 0 kcal/mol
-
-Nepheline
- NaAlSiO4 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Na+ + 1.0000 SiO2 + 2.0000 H2O
- log_k 13.8006
- -delta_H -135.068 kJ/mol # Calculated enthalpy of reaction Nepheline
-# Enthalpy of formation: -500.241 kcal/mol
- -analytic -2.4856e+001 -8.8171e-003 8.5653e+003 6.0904e+000 -2.2786e+005
-# -Range: 0-300
-
-Nesquehonite
- MgCO3:3H2O +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Mg++ + 3.0000 H2O
- log_k 4.9955
- -delta_H -36.1498 kJ/mol # Calculated enthalpy of reaction Nesquehonite
-# Enthalpy of formation: -472.576 kcal/mol
- -analytic 1.3771e+002 -6.0397e-002 -3.5049e+004 -1.8831e+001 4.4213e+006
-# -Range: 0-300
-
-Ni
- Ni +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Ni++
- log_k 50.9914
- -delta_H -333.745 kJ/mol # Calculated enthalpy of reaction Ni
-# Enthalpy of formation: 0 kcal/mol
- -analytic -5.8308e+001 -2.0133e-002 1.8444e+004 2.1590e+001 2.8781e+002
-# -Range: 0-300
-
-Ni(OH)2
- Ni(OH)2 +2.0000 H+ = + 1.0000 Ni++ + 2.0000 H2O
- log_k 12.7485
- -delta_H -95.6523 kJ/mol # Calculated enthalpy of reaction Ni(OH)2
-# Enthalpy of formation: -529.998 kJ/mol
- -analytic -6.5279e+001 -5.9499e-003 7.3471e+003 2.2290e+001 1.2479e+002
-# -Range: 0-200
-
-Ni2P2O7
- Ni2P2O7 +1.0000 H2O = + 2.0000 HPO4-- + 2.0000 Ni++
- log_k -8.8991
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ni2P2O7
-# Enthalpy of formation: 0 kcal/mol
-
-Ni2SiO4
- Ni2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Ni++
- log_k 14.3416
- -delta_H -127.629 kJ/mol # Calculated enthalpy of reaction Ni2SiO4
-# Enthalpy of formation: -341.705 kcal/mol
- -analytic -4.0414e+001 -1.1194e-002 9.6515e+003 1.2026e+001 -3.6336e+005
-# -Range: 0-300
-
-Ni3(PO4)2
- Ni3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Ni++
- log_k -6.6414
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ni3(PO4)2
-# Enthalpy of formation: 0 kcal/mol
-
-NiCO3
- NiCO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Ni++
- log_k 3.5118
- -delta_H 0 # Not possible to calculate enthalpy of reaction NiCO3
-# Enthalpy of formation: 0 kcal/mol
-
-NiCl2
- NiCl2 = + 1.0000 Ni++ + 2.0000 Cl-
- log_k 8.6113
- -delta_H -82.7969 kJ/mol # Calculated enthalpy of reaction NiCl2
-# Enthalpy of formation: -305.336 kJ/mol
- -analytic -1.2416e+000 -2.3139e-002 2.6529e+003 3.1696e+000 4.5052e+001
-# -Range: 0-200
-
-NiCl2:2H2O
- NiCl2:2H2O = + 1.0000 Ni++ + 2.0000 Cl- + 2.0000 H2O
- log_k 3.9327
- -delta_H -37.6746 kJ/mol # Calculated enthalpy of reaction NiCl2:2H2O
-# Enthalpy of formation: -922.135 kJ/mol
- -analytic -4.8814e+001 -2.2602e-002 2.5951e+003 2.0518e+001 4.4086e+001
-# -Range: 0-200
-
-NiCl2:4H2O
- NiCl2:4H2O = + 1.0000 Ni++ + 2.0000 Cl- + 4.0000 H2O
- log_k 3.8561
- -delta_H -15.4373 kJ/mol # Calculated enthalpy of reaction NiCl2:4H2O
-# Enthalpy of formation: -1516.05 kJ/mol
- -analytic -1.0545e+002 -2.4691e-002 3.9978e+003 4.1727e+001 6.7926e+001
-# -Range: 0-200
-
-NiF2
- NiF2 = + 1.0000 Ni++ + 2.0000 F-
- log_k 0.8772
- -delta_H -73.1438 kJ/mol # Calculated enthalpy of reaction NiF2
-# Enthalpy of formation: -651.525 kJ/mol
- -analytic -2.5291e+002 -8.4179e-002 9.3429e+003 1.0002e+002 1.4586e+002
-# -Range: 0-300
-
-NiF2:4H2O
- NiF2:4H2O = + 1.0000 Ni++ + 2.0000 F- + 4.0000 H2O
- log_k -4.0588
- -delta_H 0 # Not possible to calculate enthalpy of reaction NiF2:4H2O
-# Enthalpy of formation: 0 kcal/mol
-
-NiSO4
- NiSO4 = + 1.0000 Ni++ + 1.0000 SO4--
- log_k 5.3197
- -delta_H -90.5092 kJ/mol # Calculated enthalpy of reaction NiSO4
-# Enthalpy of formation: -873.066 kJ/mol
- -analytic -1.8878e+002 -7.6403e-002 7.9412e+003 7.6866e+001 1.2397e+002
-# -Range: 0-300
-
-NiSO4:6H2O(alpha)
- NiSO4:6H2O = + 1.0000 Ni++ + 1.0000 SO4-- + 6.0000 H2O
- log_k -2.0072
- -delta_H 4.37983 kJ/mol # Calculated enthalpy of reaction NiSO4:6H2O(alpha)
-# Enthalpy of formation: -2682.99 kJ/mol
- -analytic -1.1937e+002 -1.3785e-002 4.1543e+003 4.3454e+001 7.0587e+001
-# -Range: 0-200
-
-Nickelbischofite
- NiCl2:6H2O = + 1.0000 Ni++ + 2.0000 Cl- + 6.0000 H2O
- log_k 3.1681
- -delta_H 0.064088 kJ/mol # Calculated enthalpy of reaction Nickelbischofite
-# Enthalpy of formation: -2103.23 kJ/mol
- -analytic -1.4340e+002 -2.1257e-002 5.1858e+003 5.4759e+001 8.8112e+001
-# -Range: 0-200
-
-Ningyoite
- CaUP2O8:2H2O +2.0000 H+ = + 1.0000 Ca++ + 1.0000 U++++ + 2.0000 H2O + 2.0000 HPO4--
- log_k -29.7931
- -delta_H -36.4769 kJ/mol # Calculated enthalpy of reaction Ningyoite
-# Enthalpy of formation: -1016.65 kcal/mol
- -analytic -1.0274e+002 -4.9041e-002 1.7779e+003 3.2973e+001 3.0227e+001
-# -Range: 0-200
-
-Niter
- KNO3 = + 1.0000 K+ + 1.0000 NO3-
- log_k -0.2061
- -delta_H 35.4794 kJ/mol # Calculated enthalpy of reaction Niter
-# Enthalpy of formation: -494.46 kJ/mol
- -analytic -6.5607e+001 -2.8165e-002 -4.0131e+002 3.0361e+001 -6.2425e+000
-# -Range: 0-300
-
-Nitrobarite
- Ba(NO3)2 = + 1.0000 Ba++ + 2.0000 NO3-
- log_k -2.4523
- -delta_H 40.8161 kJ/mol # Calculated enthalpy of reaction Nitrobarite
-# Enthalpy of formation: -992.082 kJ/mol
- -analytic -1.6179e+002 -6.5831e-002 1.2142e+003 7.0664e+001 1.8995e+001
-# -Range: 0-300
-
-Nontronite-Ca
- Ca.165Fe2Al.33Si3.67H2O12 +7.3200 H+ = + 0.1650 Ca++ + 0.3300 Al+++ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O
- log_k -11.5822
- -delta_H -38.138 kJ/mol # Calculated enthalpy of reaction Nontronite-Ca
-# Enthalpy of formation: -1166.7 kcal/mol
- -analytic 1.6291e+001 4.3557e-003 1.0221e+004 -1.8690e+001 -1.5427e+006
-# -Range: 0-300
-
-Nontronite-Cs
- Cs.33Si4Fe1.67Mg.33H2O12 +6.0000 H+ = + 0.3300 Cs+ + 0.3300 Mg++ + 1.6700 Fe+++ + 4.0000 H2O + 4.0000 SiO2
- log_k 5.7975
- -delta_H -86.6996 kJ/mol # Calculated enthalpy of reaction Nontronite-Cs
-# Enthalpy of formation: -1168.54 kcal/mol
- -analytic -1.1646e+001 1.0033e-002 1.7668e+004 -9.0129e+000 -2.0143e+006
-# -Range: 0-300
-
-Nontronite-H
- H.33Fe2Al.33Si3.67H2O12 +6.9900 H+ = + 0.3300 Al+++ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O
- log_k -12.5401
- -delta_H -30.452 kJ/mol # Calculated enthalpy of reaction Nontronite-H
-# Enthalpy of formation: -1147.12 kcal/mol
- -analytic 9.7794e+001 1.4055e-002 4.7440e+003 -4.7272e+001 -1.2103e+006
-# -Range: 0-300
-
-Nontronite-K
- K.33Fe2Al.33Si3.67H2O12 +7.3200 H+ = + 0.3300 Al+++ + 0.3300 K+ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O
- log_k -11.8648
- -delta_H -26.5822 kJ/mol # Calculated enthalpy of reaction Nontronite-K
-# Enthalpy of formation: -1167.93 kcal/mol
- -analytic 1.3630e+001 4.7708e-003 1.0073e+004 -1.7407e+001 -1.5803e+006
-# -Range: 0-300
-
-Nontronite-Mg
- Mg.165Fe2Al.33Si3.67H2O12 +7.3200 H+ = + 0.1650 Mg++ + 0.3300 Al+++ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O
- log_k -11.6200
- -delta_H -41.1779 kJ/mol # Calculated enthalpy of reaction Nontronite-Mg
-# Enthalpy of formation: -1162.93 kcal/mol
- -analytic 5.5961e+001 1.0139e-002 8.0777e+003 -3.3164e+001 -1.4031e+006
-# -Range: 0-300
-
-Nontronite-Na
- Na.33Fe2Al.33Si3.67H2O12 +7.3200 H+ = + 0.3300 Al+++ + 0.3300 Na+ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O
- log_k -11.5263
- -delta_H -31.5687 kJ/mol # Calculated enthalpy of reaction Nontronite-Na
-# Enthalpy of formation: -1165.8 kcal/mol
- -analytic 6.7915e+001 1.2851e-002 7.1218e+003 -3.7112e+001 -1.3758e+006
-# -Range: 0-300
-
-Np
- Np +4.0000 H+ +1.0000 O2 = + 1.0000 Np++++ + 2.0000 H2O
- log_k 174.1077
- -delta_H -1115.54 kJ/mol # Calculated enthalpy of reaction Np
-# Enthalpy of formation: 0 kJ/mol
- -analytic -3.2136e+001 -1.4340e-002 5.7853e+004 6.6512e+000 9.0275e+002
-# -Range: 0-300
-
-Np(HPO4)2
- Np(HPO4)2 = + 1.0000 Np++++ + 2.0000 HPO4--
- log_k -30.9786
- -delta_H -18.6219 kJ/mol # Calculated enthalpy of reaction Np(HPO4)2
-# Enthalpy of formation: -3121.54 kJ/mol
- -analytic -3.6627e+002 -1.3955e-001 7.1370e+003 1.4261e+002 1.1147e+002
-# -Range: 0-300
-
-Np(OH)4
- Np(OH)4 +4.0000 H+ = + 1.0000 Np++++ + 4.0000 H2O
- log_k 0.8103
- -delta_H -78.4963 kJ/mol # Calculated enthalpy of reaction Np(OH)4
-# Enthalpy of formation: -1620.86 kJ/mol
- -analytic -9.5122e+001 -1.0532e-002 7.1132e+003 3.0398e+001 1.1102e+002
-# -Range: 0-300
-
-Np2O5
- Np2O5 +2.0000 H+ = + 1.0000 H2O + 2.0000 NpO2+
- log_k 9.5000
- -delta_H -94.4576 kJ/mol # Calculated enthalpy of reaction Np2O5
-# Enthalpy of formation: -513.232 kcal/mol
- -analytic 5.9974e+003 1.4553e+000 -1.7396e+005 -2.3595e+003 -2.9689e+003
-# -Range: 25-150
-
-NpO2
- NpO2 +4.0000 H+ = + 1.0000 Np++++ + 2.0000 H2O
- log_k -7.8026
- -delta_H -53.6087 kJ/mol # Calculated enthalpy of reaction NpO2
-# Enthalpy of formation: -1074.07 kJ/mol
- -analytic -7.0053e+001 -1.1017e-002 4.4742e+003 2.0421e+001 6.9836e+001
-# -Range: 0-300
-
-NpO2(OH)2
- NpO2(OH)2 +2.0000 H+ = + 1.0000 NpO2++ + 2.0000 H2O
- log_k 5.9851
- -delta_H -54.9977 kJ/mol # Calculated enthalpy of reaction NpO2(OH)2
-# Enthalpy of formation: -1377.16 kJ/mol
- -analytic -2.7351e+001 -1.5987e-003 3.8301e+003 8.4735e+000 5.9773e+001
-# -Range: 0-300
-
-NpO2OH(am)
- NpO2OH +1.0000 H+ = + 1.0000 H2O + 1.0000 NpO2+
- log_k 4.2364
- -delta_H -39.6673 kJ/mol # Calculated enthalpy of reaction NpO2OH(am)
-# Enthalpy of formation: -1224.16 kJ/mol
- -analytic -3.8824e+000 6.7122e-003 2.5390e+003 -9.7040e-001 3.9619e+001
-# -Range: 0-300
-
-Okenite
- CaSi2O4(OH)2:H2O +2.0000 H+ = + 1.0000 Ca++ + 2.0000 SiO2 + 3.0000 H2O
- log_k 10.3816
- -delta_H -19.4974 kJ/mol # Calculated enthalpy of reaction Okenite
-# Enthalpy of formation: -749.641 kcal/mol
- -analytic -7.7353e+001 1.5091e-002 1.3023e+004 2.1337e+001 -1.1831e+006
-# -Range: 0-300
-
-Orpiment
- As2S3 +6.0000 H2O = + 2.0000 H2AsO3- + 3.0000 HS- + 5.0000 H+
- log_k -79.4159
- -delta_H 406.539 kJ/mol # Calculated enthalpy of reaction Orpiment
-# Enthalpy of formation: -169.423 kJ/mol
- -analytic -3.3964e+002 -1.4977e-001 -1.5711e+004 1.4448e+002 -2.4505e+002
-# -Range: 0-300
-
-Otavite
- CdCO3 +1.0000 H+ = + 1.0000 Cd++ + 1.0000 HCO3-
- log_k -1.7712
- -delta_H 0 # Not possible to calculate enthalpy of reaction Otavite
-# Enthalpy of formation: 0 kcal/mol
-
-Ottemannite
- Sn2S3 +3.0000 H+ = + 1.0000 Sn++ + 1.0000 Sn++++ + 3.0000 HS-
- log_k -46.2679
- -delta_H 236.727 kJ/mol # Calculated enthalpy of reaction Ottemannite
-# Enthalpy of formation: -63 kcal/mol
- -analytic -6.2863e+001 -5.9171e-002 -1.3469e+004 3.2092e+001 -2.2870e+002
-# -Range: 0-200
-
-Oxychloride-Mg
- Mg2Cl(OH)3:4H2O +3.0000 H+ = + 1.0000 Cl- + 2.0000 Mg++ + 7.0000 H2O
- log_k 25.8319
- -delta_H 0 # Not possible to calculate enthalpy of reaction Oxychloride-Mg
-# Enthalpy of formation: 0 kcal/mol
-
-P
- P +1.5000 H2O +1.2500 O2 = + 1.0000 HPO4-- + 2.0000 H+
- log_k 132.1032
- -delta_H -848.157 kJ/mol # Calculated enthalpy of reaction P
-# Enthalpy of formation: 0 kJ/mol
- -analytic -9.2727e+001 -6.8342e-002 4.3465e+004 4.0156e+001 6.7826e+002
-# -Range: 0-300
-
-Paragonite
- NaAl3Si3O10(OH)2 +10.0000 H+ = + 1.0000 Na+ + 3.0000 Al+++ + 3.0000 SiO2 + 6.0000 H2O
- log_k 17.5220
- -delta_H -275.056 kJ/mol # Calculated enthalpy of reaction Paragonite
-# Enthalpy of formation: -1416.96 kcal/mol
- -analytic 3.5507e+001 -1.0720e-002 1.3519e+004 -2.2283e+001 -4.5657e+005
-# -Range: 0-300
-
-Paralaurionite
- PbClOH +1.0000 H+ = + 1.0000 Cl- + 1.0000 H2O + 1.0000 Pb++
- log_k 0.2035
- -delta_H 8.41948 kJ/mol # Calculated enthalpy of reaction Paralaurionite
-# Enthalpy of formation: -460.417 kJ/mol
- -analytic -1.1245e+001 -1.0520e-002 -5.3551e+002 6.6175e+000 -9.0896e+000
-# -Range: 0-200
-
-Pargasite
- NaCa2Al3Mg4Si6O22(OH)2 +22.0000 H+ = + 1.0000 Na+ + 2.0000 Ca++ + 3.0000 Al+++ + 4.0000 Mg++ + 6.0000 SiO2 + 12.0000 H2O
- log_k 101.9939
- -delta_H -880.205 kJ/mol # Calculated enthalpy of reaction Pargasite
-# Enthalpy of formation: -3016.62 kcal/mol
- -analytic -6.7889e+001 -3.7817e-002 5.0493e+004 9.2705e+000 -1.0163e+006
-# -Range: 0-300
-
-Parsonsite
- Pb2UO2(PO4)2:2H2O +2.0000 H+ = + 1.0000 UO2++ + 2.0000 H2O + 2.0000 HPO4-- + 2.0000 Pb++
- log_k -27.7911
- -delta_H 0 # Not possible to calculate enthalpy of reaction Parsonsite
-# Enthalpy of formation: 0 kcal/mol
-
-Pb
- Pb +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Pb++
- log_k 47.1871
- -delta_H -278.851 kJ/mol # Calculated enthalpy of reaction Pb
-# Enthalpy of formation: 0 kJ/mol
- -analytic -3.1784e+001 -1.4816e-002 1.4984e+004 1.3383e+001 2.3381e+002
-# -Range: 0-300
-
-Pb(H2PO4)2
- Pb(H2PO4)2 = + 1.0000 Pb++ + 2.0000 H+ + 2.0000 HPO4--
- log_k -9.8400
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(H2PO4)2
-# Enthalpy of formation: 0 kcal/mol
-
-Pb(IO3)2
- Pb(IO3)2 = + 1.0000 Pb++ + 2.0000 IO3-
- log_k -12.5173
- -delta_H 53.7783 kJ/mol # Calculated enthalpy of reaction Pb(IO3)2
-# Enthalpy of formation: -495.525 kJ/mol
- -analytic -5.3573e+000 -1.4164e-002 -3.6236e+003 3.7209e+000 -6.1532e+001
-# -Range: 0-200
-
-Pb(N3)2(mono)
- Pb(N3)2 = + 1.0000 Pb++ + 2.0000 N3-
- log_k -8.3583
- -delta_H 72.9495 kJ/mol # Calculated enthalpy of reaction Pb(N3)2(mono)
-# Enthalpy of formation: 478.251 kJ/mol
- -analytic 6.0051e+001 -1.1168e-002 -7.0041e+003 -1.6812e+001 -1.1896e+002
-# -Range: 0-200
-
-Pb(N3)2(orth)
- Pb(N3)2 = + 1.0000 Pb++ + 2.0000 N3-
- log_k -8.7963
- -delta_H 75.0615 kJ/mol # Calculated enthalpy of reaction Pb(N3)2(orth)
-# Enthalpy of formation: 476.139 kJ/mol
- -analytic 5.9779e+001 -1.1215e-002 -7.1081e+003 -1.6732e+001 -1.2073e+002
-# -Range: 0-200
-
-Pb(Thiocyanate)2
- Pb(Thiocyanate)2 = + 1.0000 Pb++ + 2.0000 Thiocyanate-
- log_k -0.0910
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(Thiocyanate)2
-# Enthalpy of formation: 151.212 kJ/mol
- -analytic 7.4247e+000 -1.6226e-002 0.0000e+000 0.0000e+000 -2.3938e+005
-# -Range: 0-200
-
-Pb2Cl2CO3
- Pb2Cl2CO3 +1.0000 H+ = + 1.0000 HCO3- + 2.0000 Cl- + 2.0000 Pb++
- log_k -9.6180
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pb2Cl2CO3
-# Enthalpy of formation: 0 kcal/mol
-
-Pb2Cl5NH4
- Pb2Cl5NH4 = + 1.0000 H+ + 1.0000 NH3 + 2.0000 Pb++ + 5.0000 Cl-
- log_k -19.6100
- -delta_H 119.617 kJ/mol # Calculated enthalpy of reaction Pb2Cl5NH4
-# Enthalpy of formation: -1034.51 kJ/mol
- -analytic 1.3149e+001 -4.8598e-002 -9.8473e+003 5.9552e+000 -1.6723e+002
-# -Range: 0-200
-
-Pb2O(N3)2
- Pb2O(N3)2 +2.0000 H+ = + 1.0000 H2O + 2.0000 N3- + 2.0000 Pb++
- log_k -13.7066
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pb2O(N3)2
-# Enthalpy of formation: 0 kcal/mol
-
-Pb2SiO4
- Pb2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Pb++
- log_k 18.0370
- -delta_H -83.9883 kJ/mol # Calculated enthalpy of reaction Pb2SiO4
-# Enthalpy of formation: -1363.55 kJ/mol
- -analytic 2.7287e+002 6.3875e-002 -3.7001e+003 -1.0568e+002 -6.2927e+001
-# -Range: 0-200
-
-Pb3(PO4)2
- Pb3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Pb++
- log_k -19.9744
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pb3(PO4)2
-# Enthalpy of formation: 0 kcal/mol
-
-Pb3SO6
- Pb3SO6 +4.0000 H+ = + 1.0000 SO4-- + 2.0000 H2O + 3.0000 Pb++
- log_k 10.5981
- -delta_H -79.3438 kJ/mol # Calculated enthalpy of reaction Pb3SO6
-# Enthalpy of formation: -1399.17 kJ/mol
- -analytic -5.3308e+000 -1.8639e-002 3.0245e+003 4.5760e+000 5.1362e+001
-# -Range: 0-200
-
-Pb4Cl2(OH)6
- Pb4Cl2(OH)6 +6.0000 H+ = + 2.0000 Cl- + 4.0000 Pb++ + 6.0000 H2O
- log_k 17.2793
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pb4Cl2(OH)6
-# Enthalpy of formation: 0 kcal/mol
-
-Pb4O(PO4)2
- Pb4O(PO4)2 +4.0000 H+ = + 1.0000 H2O + 2.0000 HPO4-- + 4.0000 Pb++
- log_k -12.5727
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pb4O(PO4)2
-# Enthalpy of formation: 0 kcal/mol
-
-Pb4SO7
- Pb4SO7 +6.0000 H+ = + 1.0000 SO4-- + 3.0000 H2O + 4.0000 Pb++
- log_k 21.7354
- -delta_H -136.566 kJ/mol # Calculated enthalpy of reaction Pb4SO7
-# Enthalpy of formation: -1626.87 kJ/mol
- -analytic -2.6884e+001 -2.1429e-002 6.8390e+003 1.2951e+001 1.1614e+002
-# -Range: 0-200
-
-PbBr2
- PbBr2 = + 1.0000 Pb++ + 2.0000 Br-
- log_k -5.2413
- -delta_H 36.3838 kJ/mol # Calculated enthalpy of reaction PbBr2
-# Enthalpy of formation: -278.47 kJ/mol
- -analytic 3.0977e+001 -1.6567e-002 -4.2879e+003 -6.8329e+000 -7.2825e+001
-# -Range: 0-200
-
-PbBrF
- PbBrF = + 1.0000 Br- + 1.0000 F- + 1.0000 Pb++
- log_k -8.0418
- -delta_H 0 # Not possible to calculate enthalpy of reaction PbBrF
-# Enthalpy of formation: 0 kcal/mol
-
-PbCO3.PbO
- PbCO3.PbO +3.0000 H+ = + 1.0000 H2O + 1.0000 HCO3- + 2.0000 Pb++
- log_k 9.6711
- -delta_H -55.4286 kJ/mol # Calculated enthalpy of reaction PbCO3.PbO
-# Enthalpy of formation: -918.502 kJ/mol
- -analytic -4.2160e+001 -1.4124e-002 3.8661e+003 1.7404e+001 6.5667e+001
-# -Range: 0-200
-
-PbF2
- PbF2 = + 1.0000 Pb++ + 2.0000 F-
- log_k -5.2047
- -delta_H -5.83772 kJ/mol # Calculated enthalpy of reaction PbF2
-# Enthalpy of formation: -663.937 kJ/mol
- -analytic -2.2712e+002 -7.9552e-002 5.2198e+003 9.2173e+001 8.1516e+001
-# -Range: 0-300
-
-PbFCl
- PbFCl = + 1.0000 Cl- + 1.0000 F- + 1.0000 Pb++
- log_k -8.9820
- -delta_H 33.1852 kJ/mol # Calculated enthalpy of reaction PbFCl
-# Enthalpy of formation: -534.692 kJ/mol
- -analytic 6.1688e+000 -2.0732e-002 -3.4666e+003 1.0697e+000 -5.8869e+001
-# -Range: 0-200
-
-PbHPO4
- PbHPO4 = + 1.0000 HPO4-- + 1.0000 Pb++
- log_k -15.7275
- -delta_H 0 # Not possible to calculate enthalpy of reaction PbHPO4
-# Enthalpy of formation: 0 kcal/mol
-
-PbI2
- PbI2 = + 1.0000 Pb++ + 2.0000 I-
- log_k -8.0418
- -delta_H 62.5717 kJ/mol # Calculated enthalpy of reaction PbI2
-# Enthalpy of formation: -175.456 kJ/mol
- -analytic 1.5277e+001 -2.0582e-002 -5.1256e+003 0.0000e+000 0.0000e+000
-# -Range: 0-200
-
-PbSO4(NH3)2
- PbSO4(NH3)2 = + 1.0000 Pb++ + 1.0000 SO4-- + 2.0000 NH3
- log_k -2.0213
- -delta_H 28.284 kJ/mol # Calculated enthalpy of reaction PbSO4(NH3)2
-# Enthalpy of formation: -1099.64 kJ/mol
- -analytic 3.5718e-001 -1.0192e-002 -2.0095e+003 2.9853e+000 -3.4124e+001
-# -Range: 0-200
-
-PbSO4(NH3)4
- PbSO4(NH3)4 = + 1.0000 Pb++ + 1.0000 SO4-- + 4.0000 NH3
- log_k 1.5024
- -delta_H 31.155 kJ/mol # Calculated enthalpy of reaction PbSO4(NH3)4
-# Enthalpy of formation: -1265.18 kJ/mol
- -analytic -4.1080e+001 -7.2307e-003 6.6637e+001 1.7984e+001 1.1460e+000
-# -Range: 0-200
-
-PbSeO4
- PbSeO4 = + 1.0000 Pb++ + 1.0000 SeO4--
- log_k -6.9372
- -delta_H 10.8967 kJ/mol # Calculated enthalpy of reaction PbSeO4
-# Enthalpy of formation: -609.125 kJ/mol
- -analytic 3.1292e+001 -1.4192e-002 -3.0980e+003 -9.5448e+000 -5.2618e+001
-# -Range: 0-200
-
-Pd
- Pd +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Pd++
- log_k 12.0688
- -delta_H -103.709 kJ/mol # Calculated enthalpy of reaction Pd
-# Enthalpy of formation: 0 kcal/mol
- -analytic -6.2530e+001 -1.9774e-002 6.7013e+003 2.3441e+001 1.0459e+002
-# -Range: 0-300
-
-PdO
- PdO +2.0000 H+ = + 1.0000 H2O + 1.0000 Pd++
- log_k 0.0643
- -delta_H -24.422 kJ/mol # Calculated enthalpy of reaction PdO
-# Enthalpy of formation: -20.4 kcal/mol
- -analytic -8.8921e+001 -1.9031e-002 3.8537e+003 3.3028e+001 6.0159e+001
-# -Range: 0-300
-
-Penroseite
- NiSe2 +1.0000 H2O = + 0.5000 O2 + 1.0000 Ni++ + 2.0000 H+ + 2.0000 Se--
- log_k -98.8004
- -delta_H 0 # Not possible to calculate enthalpy of reaction Penroseite
-# Enthalpy of formation: -26 kcal/mol
- -analytic -4.7339e+001 -1.2035e-002 -2.3589e+004 1.2624e+001 -3.6808e+002
-# -Range: 0-300
-
-Pentahydrite
- MgSO4:5H2O = + 1.0000 Mg++ + 1.0000 SO4-- + 5.0000 H2O
- log_k -1.3872
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pentahydrite
-# Enthalpy of formation: 0 kcal/mol
-
-Periclase
- MgO +2.0000 H+ = + 1.0000 H2O + 1.0000 Mg++
- log_k 21.3354
- -delta_H -150.139 kJ/mol # Calculated enthalpy of reaction Periclase
-# Enthalpy of formation: -143.8 kcal/mol
- -analytic -8.8465e+001 -1.8390e-002 1.0414e+004 3.2469e+001 1.6253e+002
-# -Range: 0-300
-
-Petalite
- LiAlSi4O10 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Li+ + 2.0000 H2O + 4.0000 SiO2
- log_k -3.8153
- -delta_H -13.1739 kJ/mol # Calculated enthalpy of reaction Petalite
-# Enthalpy of formation: -4886.15 kJ/mol
- -analytic -6.6355e+000 2.4316e-002 1.5949e+004 -1.3341e+001 -2.2265e+006
-# -Range: 0-300
-
-Phlogopite
- KAlMg3Si3O10(OH)2 +10.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 3.0000 Mg++ + 3.0000 SiO2 + 6.0000 H2O
- log_k 37.4400
- -delta_H -310.503 kJ/mol # Calculated enthalpy of reaction Phlogopite
-# Enthalpy of formation: -1488.07 kcal/mol
- -analytic -8.7730e+001 -1.7253e-002 2.3748e+004 2.4465e+001 -8.9045e+005
-# -Range: 0-300
-
-Phosgenite
- Pb2(CO3)Cl2 +1.0000 H+ = + 1.0000 HCO3- + 2.0000 Cl- + 2.0000 Pb++
- log_k -9.6355
- -delta_H 49.0844 kJ/mol # Calculated enthalpy of reaction Phosgenite
-# Enthalpy of formation: -1071.34 kJ/mol
- -analytic 3.4909e+000 -2.9365e-002 -4.6327e+003 4.5068e+000 -7.8671e+001
-# -Range: 0-200
-
-Picromerite
- K2Mg(SO4)2:6H2O = + 1.0000 Mg++ + 2.0000 K+ + 2.0000 SO4-- + 6.0000 H2O
- log_k -4.4396
- -delta_H 0 # Not possible to calculate enthalpy of reaction Picromerite
-# Enthalpy of formation: 0 kcal/mol
-
-Pirssonite
- Na2Ca(CO3)2:2H2O +2.0000 H+ = + 1.0000 Ca++ + 2.0000 H2O + 2.0000 HCO3- + 2.0000 Na+
- log_k 11.3230
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pirssonite
-# Enthalpy of formation: 0 kcal/mol
-
-Plattnerite
- PbO2 +4.0000 H+ = + 1.0000 Pb++++ + 2.0000 H2O
- log_k -7.9661
- -delta_H 0 # Not possible to calculate enthalpy of reaction Plattnerite
-# Enthalpy of formation: -277.363 kJ/mol
-
-Plumbogummite
- PbAl3(PO4)2(OH)5:H2O +7.0000 H+ = + 1.0000 Pb++ + 2.0000 HPO4-- + 3.0000 Al+++ + 6.0000 H2O
- log_k -8.1463
- -delta_H 0 # Not possible to calculate enthalpy of reaction Plumbogummite
-# Enthalpy of formation: 0 kcal/mol
-
-Pm
- Pm +3.0000 H+ +0.7500 O2 = + 1.0000 Pm+++ + 1.5000 H2O
- log_k 180.6737
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pm
-# Enthalpy of formation: 0 kcal/mol
-
-Pm(OH)3
- Pm(OH)3 +3.0000 H+ = + 1.0000 Pm+++ + 3.0000 H2O
- log_k 17.4852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)3
-# Enthalpy of formation: 0 kcal/mol
-
-Pm(OH)3(am)
- Pm(OH)3 +3.0000 H+ = + 1.0000 Pm+++ + 3.0000 H2O
- log_k 18.2852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)3(am)
-# Enthalpy of formation: 0 kcal/mol
-
-Pm2(CO3)3
- Pm2(CO3)3 +3.0000 H+ = + 2.0000 Pm+++ + 3.0000 HCO3-
- log_k -3.5636
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pm2(CO3)3
-# Enthalpy of formation: 0 kcal/mol
-
-Pm2O3
- Pm2O3 +6.0000 H+ = + 2.0000 Pm+++ + 3.0000 H2O
- log_k 48.8000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pm2O3
-# Enthalpy of formation: 0 kcal/mol
-
-PmF3:.5H2O
- PmF3:.5H2O = + 0.5000 H2O + 1.0000 Pm+++ + 3.0000 F-
- log_k -18.1000
- -delta_H 0 # Not possible to calculate enthalpy of reaction PmF3:.5H2O
-# Enthalpy of formation: 0 kcal/mol
-
-PmPO4:10H2O
- PmPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Pm+++ + 10.0000 H2O
- log_k -12.1782
- -delta_H 0 # Not possible to calculate enthalpy of reaction PmPO4:10H2O
-# Enthalpy of formation: 0 kcal/mol
-
-Polydymite
- Ni3S4 +2.0000 H+ = + 1.0000 S2-- + 2.0000 HS- + 3.0000 Ni++
- log_k -48.9062
- -delta_H 0 # Not possible to calculate enthalpy of reaction Polydymite
-# Enthalpy of formation: -78.014 kcal/mol
- -analytic -1.8030e+001 -4.6945e-002 -1.1557e+004 8.8339e+000 -1.9625e+002
-# -Range: 0-200
-
-Polyhalite
- K2MgCa2(SO4)4:2H2O = + 1.0000 Mg++ + 2.0000 Ca++ + 2.0000 H2O + 2.0000 K+ + 4.0000 SO4--
- log_k -14.3124
- -delta_H 0 # Not possible to calculate enthalpy of reaction Polyhalite
-# Enthalpy of formation: 0 kcal/mol
-
-Portlandite
- Ca(OH)2 +2.0000 H+ = + 1.0000 Ca++ + 2.0000 H2O
- log_k 22.5552
- -delta_H -128.686 kJ/mol # Calculated enthalpy of reaction Portlandite
-# Enthalpy of formation: -986.074 kJ/mol
- -analytic -8.3848e+001 -1.8373e-002 9.3154e+003 3.2584e+001 1.4538e+002
-# -Range: 0-300
-
-Pr
- Pr +3.0000 H+ +0.7500 O2 = + 1.0000 Pr+++ + 1.5000 H2O
- log_k 183.6893
- -delta_H -1125.92 kJ/mol # Calculated enthalpy of reaction Pr
-# Enthalpy of formation: 0 kJ/mol
- -analytic -4.1136e+002 -7.5853e-002 7.9974e+004 1.4718e+002 -1.3148e+006
-# -Range: 0-300
-
-Pr(OH)3
- Pr(OH)3 +3.0000 H+ = + 1.0000 Pr+++ + 3.0000 H2O
- log_k 19.5852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(OH)3
-# Enthalpy of formation: 0 kcal/mol
-
-Pr(OH)3(am)
- Pr(OH)3 +3.0000 H+ = + 1.0000 Pr+++ + 3.0000 H2O
- log_k 21.0852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(OH)3(am)
-# Enthalpy of formation: 0 kcal/mol
-
-Pr2(CO3)3
- Pr2(CO3)3 +3.0000 H+ = + 2.0000 Pr+++ + 3.0000 HCO3-
- log_k -3.8136
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pr2(CO3)3
-# Enthalpy of formation: 0 kcal/mol
-
-Pr2O3
- Pr2O3 +6.0000 H+ = + 2.0000 Pr+++ + 3.0000 H2O
- log_k 61.4000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pr2O3
-# Enthalpy of formation: 0 kcal/mol
-
-PrF3:.5H2O
- PrF3:.5H2O = + 0.5000 H2O + 1.0000 Pr+++ + 3.0000 F-
- log_k -18.7000
- -delta_H 0 # Not possible to calculate enthalpy of reaction PrF3:.5H2O
-# Enthalpy of formation: 0 kcal/mol
-
-PrPO4:10H2O
- PrPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Pr+++ + 10.0000 H2O
- log_k -12.2782
- -delta_H 0 # Not possible to calculate enthalpy of reaction PrPO4:10H2O
-# Enthalpy of formation: 0 kcal/mol
-
-Prehnite
- Ca2Al2Si3O10(OH)2 +10.0000 H+ = + 2.0000 Al+++ + 2.0000 Ca++ + 3.0000 SiO2 + 6.0000 H2O
- log_k 32.9305
- -delta_H -311.875 kJ/mol # Calculated enthalpy of reaction Prehnite
-# Enthalpy of formation: -1481.65 kcal/mol
- -analytic -3.5763e+001 -2.1396e-002 2.0167e+004 6.3554e+000 -7.4967e+005
-# -Range: 0-300
-
-Przhevalskite
- Pb(UO2)2(PO4)2 +2.0000 H+ = + 1.0000 Pb++ + 2.0000 HPO4-- + 2.0000 UO2++
- log_k -20.0403
- -delta_H -71.1058 kJ/mol # Calculated enthalpy of reaction Przhevalskite
-# Enthalpy of formation: -1087.51 kcal/mol
- -analytic -2.9817e+001 -4.0756e-002 1.0077e+003 7.4885e+000 1.7122e+001
-# -Range: 0-200
-
-Pseudowollastonite
- CaSiO3 +2.0000 H+ = + 1.0000 Ca++ + 1.0000 H2O + 1.0000 SiO2
- log_k 13.9997
- -delta_H -79.4625 kJ/mol # Calculated enthalpy of reaction Pseudowollastonite
-# Enthalpy of formation: -388.9 kcal/mol
- -analytic 2.6691e+001 6.3323e-003 5.5723e+003 -1.1822e+001 -3.6038e+005
-# -Range: 0-300
-
-Pu
- Pu +4.0000 H+ +1.0000 O2 = + 1.0000 Pu++++ + 2.0000 H2O
- log_k 170.3761
- -delta_H -1095.44 kJ/mol # Calculated enthalpy of reaction Pu
-# Enthalpy of formation: 0 kJ/mol
- -analytic -1.9321e+002 -3.4314e-002 6.6737e+004 6.3552e+001 -6.4737e+005
-# -Range: 0-300
-
-Pu(HPO4)2
- Pu(HPO4)2 = + 1.0000 Pu++++ + 2.0000 HPO4--
- log_k -27.7025
- -delta_H -33.4449 kJ/mol # Calculated enthalpy of reaction Pu(HPO4)2
-# Enthalpy of formation: -3086.61 kJ/mol
- -analytic -3.6565e+002 -1.3961e-001 7.9105e+003 1.4265e+002 1.2354e+002
-# -Range: 0-300
-
-Pu(OH)3
- Pu(OH)3 +3.0000 H+ = + 1.0000 Pu+++ + 3.0000 H2O
- log_k 22.4499
- -delta_H -148.067 kJ/mol # Calculated enthalpy of reaction Pu(OH)3
-# Enthalpy of formation: -1301 kJ/mol
- -analytic -6.1342e+001 -8.6952e-003 9.7733e+003 2.1664e+001 1.5252e+002
-# -Range: 0-300
-
-Pu(OH)4
- Pu(OH)4 +4.0000 H+ = + 1.0000 Pu++++ + 4.0000 H2O
- log_k 0.7578
- -delta_H -68.6543 kJ/mol # Calculated enthalpy of reaction Pu(OH)4
-# Enthalpy of formation: -1610.59 kJ/mol
- -analytic -9.3473e+001 -1.0579e-002 6.5974e+003 3.0415e+001 1.0297e+002
-# -Range: 0-300
-
-Pu2O3
- Pu2O3 +6.0000 H+ = + 2.0000 Pu+++ + 3.0000 H2O
- log_k 48.1332
- -delta_H -360.26 kJ/mol # Calculated enthalpy of reaction Pu2O3
-# Enthalpy of formation: -1680.36 kJ/mol
- -analytic -8.7831e+001 -1.9784e-002 2.0832e+004 2.9096e+001 3.2509e+002
-# -Range: 0-300
-
-PuF3
- PuF3 = + 1.0000 Pu+++ + 3.0000 F-
- log_k -10.1872
- -delta_H -46.2608 kJ/mol # Calculated enthalpy of reaction PuF3
-# Enthalpy of formation: -1551.33 kJ/mol
- -analytic -3.1104e+002 -1.0854e-001 8.7435e+003 1.2279e+002 1.3653e+002
-# -Range: 0-300
-
-PuF4
- PuF4 = + 1.0000 Pu++++ + 4.0000 F-
- log_k -13.2091
- -delta_H -100.039 kJ/mol # Calculated enthalpy of reaction PuF4
-# Enthalpy of formation: -1777.24 kJ/mol
- -analytic -4.3072e+002 -1.4500e-001 1.4076e+004 1.6709e+002 2.1977e+002
-# -Range: 0-300
-
-PuO2
- PuO2 +4.0000 H+ = + 1.0000 Pu++++ + 2.0000 H2O
- log_k -7.3646
- -delta_H -51.8827 kJ/mol # Calculated enthalpy of reaction PuO2
-# Enthalpy of formation: -1055.69 kJ/mol
- -analytic -7.1933e+001 -1.1841e-002 4.4494e+003 2.1491e+001 6.9450e+001
-# -Range: 0-300
-
-PuO2(OH)2
- PuO2(OH)2 +2.0000 H+ = + 1.0000 PuO2++ + 2.0000 H2O
- log_k 3.5499
- -delta_H -35.7307 kJ/mol # Calculated enthalpy of reaction PuO2(OH)2
-# Enthalpy of formation: -1357.52 kJ/mol
- -analytic -2.6536e+001 -1.6542e-003 2.8262e+003 8.5277e+000 4.4108e+001
-# -Range: 0-300
-
-PuO2HPO4
- PuO2HPO4 = + 1.0000 HPO4-- + 1.0000 PuO2++
- log_k -12.6074
- -delta_H -10.108 kJ/mol # Calculated enthalpy of reaction PuO2HPO4
-# Enthalpy of formation: -2103.55 kJ/mol
- -analytic -1.6296e+002 -6.6166e-002 3.0557e+003 6.4577e+001 4.7729e+001
-# -Range: 0-300
-
-PuO2OH(am)
- PuO2OH +1.0000 H+ = + 1.0000 H2O + 1.0000 PuO2+
- log_k 5.4628
- -delta_H -42.4933 kJ/mol # Calculated enthalpy of reaction PuO2OH(am)
-# Enthalpy of formation: -1157.53 kJ/mol
- -analytic -3.1316e+000 6.7573e-003 2.6884e+003 -9.8622e-001 4.1951e+001
-# -Range: 0-300
-
-Pyrite
- FeS2 +1.0000 H2O = + 0.2500 H+ + 0.2500 SO4-- + 1.0000 Fe++ + 1.7500 HS-
- log_k -24.6534
- -delta_H 109.535 kJ/mol # Calculated enthalpy of reaction Pyrite
-# Enthalpy of formation: -41 kcal/mol
- -analytic -2.4195e+002 -8.7948e-002 -6.2911e+002 9.9248e+001 -9.7454e+000
-# -Range: 0-300
-
-Pyrolusite
- MnO2 = + 0.5000 Mn++ + 0.5000 MnO4--
- log_k -17.6439
- -delta_H 83.3804 kJ/mol # Calculated enthalpy of reaction Pyrolusite
-# Enthalpy of formation: -520.031 kJ/mol
- -analytic -1.1541e+002 -4.1665e-002 -1.8960e+003 4.7094e+001 -2.9551e+001
-# -Range: 0-300
-
-Pyromorphite
- Pb5(PO4)3Cl +3.0000 H+ = + 1.0000 Cl- + 3.0000 HPO4-- + 5.0000 Pb++
- log_k -47.8954
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pyromorphite
-# Enthalpy of formation: 0 kcal/mol
-
-Pyromorphite-OH
- Pb5(OH)(PO4)3 +4.0000 H+ = + 1.0000 H2O + 3.0000 HPO4-- + 5.0000 Pb++
- log_k -26.2653
- -delta_H 0 # Not possible to calculate enthalpy of reaction Pyromorphite-OH
-# Enthalpy of formation: 0 kcal/mol
-
-Pyrophyllite
- Al2Si4O10(OH)2 +6.0000 H+ = + 2.0000 Al+++ + 4.0000 H2O + 4.0000 SiO2
- log_k 0.4397
- -delta_H -102.161 kJ/mol # Calculated enthalpy of reaction Pyrophyllite
-# Enthalpy of formation: -1345.31 kcal/mol
- -analytic 1.1066e+001 1.2707e-002 1.6417e+004 -1.9596e+001 -1.8791e+006
-# -Range: 0-300
-
-Pyrrhotite
- FeS +1.0000 H+ = + 1.0000 Fe++ + 1.0000 HS-
- log_k -3.7193
- -delta_H -7.9496 kJ/mol # Calculated enthalpy of reaction Pyrrhotite
-# Enthalpy of formation: -24 kcal/mol
- -analytic -1.5785e+002 -5.2258e-002 3.9711e+003 6.3195e+001 6.2012e+001
-# -Range: 0-300
-
-Quartz
- SiO2 = + 1.0000 SiO2
- log_k -3.9993
- -delta_H 32.949 kJ/mol # Calculated enthalpy of reaction Quartz
-# Enthalpy of formation: -217.65 kcal/mol
- -analytic 7.7698e-002 1.0612e-002 3.4651e+003 -4.3551e+000 -7.2138e+005
-# -Range: 0-300
-
-Ra
- Ra +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Ra++
- log_k 141.3711
- -delta_H -807.374 kJ/mol # Calculated enthalpy of reaction Ra
-# Enthalpy of formation: 0 kJ/mol
- -analytic 4.9867e+001 5.9412e-003 4.0293e+004 -1.8356e+001 6.8421e+002
-# -Range: 0-200
-
-Ra(NO3)2
- Ra(NO3)2 = + 1.0000 Ra++ + 2.0000 NO3-
- log_k -2.2419
- -delta_H 50.4817 kJ/mol # Calculated enthalpy of reaction Ra(NO3)2
-# Enthalpy of formation: -991.706 kJ/mol
- -analytic 2.2001e+001 -9.5263e-003 -3.9389e+003 -3.3143e+000 -6.6896e+001
-# -Range: 0-200
-
-RaCl2:2H2O
- RaCl2:2H2O = + 1.0000 Ra++ + 2.0000 Cl- + 2.0000 H2O
- log_k -0.7647
- -delta_H 32.6266 kJ/mol # Calculated enthalpy of reaction RaCl2:2H2O
-# Enthalpy of formation: -1466.07 kJ/mol
- -analytic -2.5033e+001 -1.8918e-002 -1.5713e+003 1.4213e+001 -2.6673e+001
-# -Range: 0-200
-
-RaSO4
- RaSO4 = + 1.0000 Ra++ + 1.0000 SO4--
- log_k -10.4499
- -delta_H 40.309 kJ/mol # Calculated enthalpy of reaction RaSO4
-# Enthalpy of formation: -1477.51 kJ/mol
- -analytic 4.8025e+001 -1.1376e-002 -5.1347e+003 -1.5306e+001 -8.7211e+001
-# -Range: 0-200
-
-Rankinite
- Ca3Si2O7 +6.0000 H+ = + 2.0000 SiO2 + 3.0000 Ca++ + 3.0000 H2O
- log_k 51.9078
- -delta_H -302.089 kJ/mol # Calculated enthalpy of reaction Rankinite
-# Enthalpy of formation: -941.7 kcal/mol
- -analytic -9.6393e+001 -1.6592e-002 2.4832e+004 3.2541e+001 -9.4630e+005
-# -Range: 0-300
-
-Rb
- Rb +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Rb+
- log_k 71.1987
- -delta_H -391.009 kJ/mol # Calculated enthalpy of reaction Rb
-# Enthalpy of formation: 0 kJ/mol
- -analytic -2.1179e+001 -8.7978e-003 2.0934e+004 1.0011e+001 3.2667e+002
-# -Range: 0-300
-
-Rb2UO4
- Rb2UO4 +4.0000 H+ = + 1.0000 UO2++ + 2.0000 H2O + 2.0000 Rb+
- log_k 34.0089
- -delta_H -170.224 kJ/mol # Calculated enthalpy of reaction Rb2UO4
-# Enthalpy of formation: -1922.7 kJ/mol
- -analytic -3.8205e+001 3.1862e-003 1.0973e+004 1.3925e+001 1.8636e+002
-# -Range: 0-200
-
-Re
- Re +1.7500 O2 +0.5000 H2O = + 1.0000 H+ + 1.0000 ReO4-
- log_k 105.9749
- -delta_H -623.276 kJ/mol # Calculated enthalpy of reaction Re
-# Enthalpy of formation: 0 kJ/mol
- -analytic 1.4535e+001 -2.9877e-002 2.9910e+004 0.0000e+000 0.0000e+000
-# -Range: 0-300
-
-Realgar
- AsS +2.0000 H2O = + 0.5000 S2O4-- + 1.0000 AsH3 + 1.0000 H+
- log_k -60.2768
- -delta_H 0 # Not possible to calculate enthalpy of reaction Realgar
-# Enthalpy of formation: -71.406 kJ/mol
-
-Rhodochrosite
- MnCO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Mn++
- log_k -0.1928
- -delta_H -21.3426 kJ/mol # Calculated enthalpy of reaction Rhodochrosite
-# Enthalpy of formation: -212.521 kcal/mol
- -analytic -1.6195e+002 -4.9344e-002 5.0937e+003 6.4402e+001 7.9531e+001
-# -Range: 0-300
-
-Rhodonite
- MnSiO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 Mn++ + 1.0000 SiO2
- log_k 9.7301
- -delta_H -64.7121 kJ/mol # Calculated enthalpy of reaction Rhodonite
-# Enthalpy of formation: -1319.42 kJ/mol
- -analytic 2.0585e+001 4.9941e-003 4.5816e+003 -9.8212e+000 -3.0658e+005
-# -Range: 0-300
-
-Ripidolite-14A
- Mg3Fe2Al2Si3O10(OH)8 +16.0000 H+ = + 2.0000 Al+++ + 2.0000 Fe++ + 3.0000 Mg++ + 3.0000 SiO2 + 12.0000 H2O
- log_k 60.9638
- -delta_H -572.472 kJ/mol # Calculated enthalpy of reaction Ripidolite-14A
-# Enthalpy of formation: -1947.87 kcal/mol
- -analytic -1.8376e+002 -6.1934e-002 3.2458e+004 6.2290e+001 5.0653e+002
-# -Range: 0-300
-
-Ripidolite-7A
- Mg3Fe2Al2Si3O10(OH)8 +16.0000 H+ = + 2.0000 Al+++ + 2.0000 Fe++ + 3.0000 Mg++ + 3.0000 SiO2 + 12.0000 H2O
- log_k 64.3371
- -delta_H -586.325 kJ/mol # Calculated enthalpy of reaction Ripidolite-7A
-# Enthalpy of formation: -1944.56 kcal/mol
- -analytic -1.9557e+002 -6.3779e-002 3.3634e+004 6.7057e+001 5.2489e+002
-# -Range: 0-300
-
-Romarchite
- SnO +2.0000 H+ = + 1.0000 H2O + 1.0000 Sn++
- log_k 1.3625
- -delta_H -8.69017 kJ/mol # Calculated enthalpy of reaction Romarchite
-# Enthalpy of formation: -68.34 kcal/mol
- -analytic -6.3187e+001 -1.5821e-002 2.2786e+003 2.4900e+001 3.5574e+001
-# -Range: 0-300
-
-Ru
- Ru +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Ru++
- log_k 16.6701
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ru
-# Enthalpy of formation: 0 kJ/mol
-
-Ru(OH)3:H2O(am)
- Ru(OH)3:H2O +3.0000 H+ = + 1.0000 Ru+++ + 4.0000 H2O
- log_k 1.6338
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)3:H2O(am)
-# Enthalpy of formation: 0 kcal/mol
-
-RuBr3
- RuBr3 = + 1.0000 Ru+++ + 3.0000 Br-
- log_k 3.1479
- -delta_H 0 # Not possible to calculate enthalpy of reaction RuBr3
-# Enthalpy of formation: -147.76 kJ/mol
-
-RuCl3
- RuCl3 = + 1.0000 Ru+++ + 3.0000 Cl-
- log_k 10.8215
- -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl3
-# Enthalpy of formation: -221.291 kJ/mol
-
-RuI3
- RuI3 = + 1.0000 Ru+++ + 3.0000 I-
- log_k -12.4614
- -delta_H 0 # Not possible to calculate enthalpy of reaction RuI3
-# Enthalpy of formation: -58.425 kJ/mol
-
-RuO2
- RuO2 +2.0000 H+ = + 1.0000 Ru(OH)2++
- log_k -5.4835
- -delta_H 0 # Not possible to calculate enthalpy of reaction RuO2
-# Enthalpy of formation: -307.233 kJ/mol
-
-RuO2:2H2O(am)
- RuO2:2H2O +2.0000 H+ = + 1.0000 Ru(OH)2++ + 2.0000 H2O
- log_k 0.9045
- -delta_H 0 # Not possible to calculate enthalpy of reaction RuO2:2H2O(am)
-# Enthalpy of formation: 0 kcal/mol
-
-RuO4
- RuO4 = + 1.0000 RuO4
- log_k -0.9636
- -delta_H 6.305 kJ/mol # Calculated enthalpy of reaction RuO4
-# Enthalpy of formation: -244.447 kJ/mol
-
-RuSe2
- RuSe2 +2.0000 H2O = + 1.0000 Ru(OH)2++ + 2.0000 H+ + 2.0000 Se--
- log_k -113.7236
- -delta_H 0 # Not possible to calculate enthalpy of reaction RuSe2
-# Enthalpy of formation: -146.274 kJ/mol
-
-Rutherfordine
- UO2CO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 UO2++
- log_k -4.1064
- -delta_H -19.4032 kJ/mol # Calculated enthalpy of reaction Rutherfordine
-# Enthalpy of formation: -1689.53 kJ/mol
- -analytic -8.8224e+001 -3.1434e-002 2.6675e+003 3.4161e+001 4.1650e+001
-# -Range: 0-300
-
-Rutile
- TiO2 +2.0000 H2O = + 1.0000 Ti(OH)4
- log_k -9.6452
- -delta_H 0 # Not possible to calculate enthalpy of reaction Rutile
-# Enthalpy of formation: -226.107 kcal/mol
-
-S
- S +1.0000 H2O = + 0.5000 O2 + 1.0000 H+ + 1.0000 HS-
- log_k -45.0980
- -delta_H 263.663 kJ/mol # Calculated enthalpy of reaction S
-# Enthalpy of formation: 0 kJ/mol
- -analytic -8.8928e+001 -2.8454e-002 -1.1516e+004 3.6747e+001 -1.7966e+002
-# -Range: 0-300
-
-Safflorite
- CoAs2 +2.0000 H2O +1.0000 H+ +0.5000 O2 = + 1.0000 AsH3 + 1.0000 Co++ + 1.0000 H2AsO3-
- log_k -3.6419
- -delta_H -52.7226 kJ/mol # Calculated enthalpy of reaction Safflorite
-# Enthalpy of formation: -23.087 kcal/mol
-
-Saleeite
- Mg(UO2)2(PO4)2 +2.0000 H+ = + 1.0000 Mg++ + 2.0000 HPO4-- + 2.0000 UO2++
- log_k -19.4575
- -delta_H -110.816 kJ/mol # Calculated enthalpy of reaction Saleeite
-# Enthalpy of formation: -1189.61 kcal/mol
- -analytic -6.0028e+001 -4.4391e-002 3.9168e+003 1.6428e+001 6.6533e+001
-# -Range: 0-200
-
-Sanbornite
- BaSi2O5 +2.0000 H+ = + 1.0000 Ba++ + 1.0000 H2O + 2.0000 SiO2
- log_k 9.4753
- -delta_H -31.0845 kJ/mol # Calculated enthalpy of reaction Sanbornite
-# Enthalpy of formation: -2547.8 kJ/mol
- -analytic -2.5381e+001 1.2999e-002 1.2330e+004 2.1053e+000 -1.3913e+006
-# -Range: 0-300
-
-Sanidine_high
- KAlSi3O8 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 2.0000 H2O + 3.0000 SiO2
- log_k 0.9239
- -delta_H -35.0284 kJ/mol # Calculated enthalpy of reaction Sanidine_high
-# Enthalpy of formation: -946.538 kcal/mol
- -analytic -3.4889e+000 1.4495e-002 1.2856e+004 -9.8978e+000 -1.6572e+006
-# -Range: 0-300
-
-Saponite-Ca
- Ca.165Mg3Al.33Si3.67O10(OH)2 +7.3200 H+ = + 0.1650 Ca++ + 0.3300 Al+++ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O
- log_k 26.2900
- -delta_H -207.971 kJ/mol # Calculated enthalpy of reaction Saponite-Ca
-# Enthalpy of formation: -1436.51 kcal/mol
- -analytic -4.6904e+001 6.2555e-003 2.2572e+004 5.3198e+000 -1.5725e+006
-# -Range: 0-300
-
-Saponite-Cs
- Cs.33Si3.67Al.33Mg3O10(OH)2 +7.3200 H+ = + 0.3300 Al+++ + 0.3300 Cs+ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O
- log_k 25.8528
- -delta_H -195.407 kJ/mol # Calculated enthalpy of reaction Saponite-Cs
-# Enthalpy of formation: -1438.44 kcal/mol
- -analytic -7.7732e+001 -3.6418e-005 2.3346e+004 1.7578e+001 -1.6319e+006
-# -Range: 0-300
-
-Saponite-H
- H.33Mg3Al.33Si3.67O10(OH)2 +6.9900 H+ = + 0.3300 Al+++ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O
- log_k 25.3321
- -delta_H -200.235 kJ/mol # Calculated enthalpy of reaction Saponite-H
-# Enthalpy of formation: -1416.94 kcal/mol
- -analytic -3.9828e+001 8.9566e-003 2.2165e+004 2.3941e+000 -1.5933e+006
-# -Range: 0-300
-
-Saponite-K
- K.33Mg3Al.33Si3.67O10(OH)2 +7.3200 H+ = + 0.3300 Al+++ + 0.3300 K+ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O
- log_k 26.0075
- -delta_H -196.402 kJ/mol # Calculated enthalpy of reaction Saponite-K
-# Enthalpy of formation: -1437.74 kcal/mol
- -analytic 3.2113e+001 1.8392e-002 1.7918e+004 -2.2874e+001 -1.3542e+006
-# -Range: 0-300
-
-Saponite-Mg
- Mg3.165Al.33Si3.67O10(OH)2 +7.3200 H+ = + 0.3300 Al+++ + 3.1650 Mg++ + 3.6700 SiO2 + 4.6600 H2O
- log_k 26.2523
- -delta_H -210.822 kJ/mol # Calculated enthalpy of reaction Saponite-Mg
-# Enthalpy of formation: -1432.79 kcal/mol
- -analytic 9.8888e+000 1.4320e-002 1.9418e+004 -1.5259e+001 -1.3716e+006
-# -Range: 0-300
-
-Saponite-Na
- Na.33Mg3Al.33Si3.67O10(OH)2 +7.3200 H+ = + 0.3300 Al+++ + 0.3300 Na+ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O
- log_k 26.3459
- -delta_H -201.401 kJ/mol # Calculated enthalpy of reaction Saponite-Na
-# Enthalpy of formation: -1435.61 kcal/mol
- -analytic -6.7611e+001 4.7327e-003 2.3586e+004 1.2868e+001 -1.6493e+006
-# -Range: 0-300
-
-Sb
- Sb +1.5000 H2O +0.7500 O2 = + 1.0000 Sb(OH)3
- log_k 52.7918
- -delta_H -335.931 kJ/mol # Calculated enthalpy of reaction Sb
-# Enthalpy of formation: 0 kJ/mol
-
-Sb(OH)3
- Sb(OH)3 = + 1.0000 Sb(OH)3
- log_k -7.0953
- -delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)3
-# Enthalpy of formation: 0 kcal/mol
-
-Sb2O3
- Sb2O3 +3.0000 H2O = + 2.0000 Sb(OH)3
- log_k -8.9600
- -delta_H 0 # Not possible to calculate enthalpy of reaction Sb2O3
-# Enthalpy of formation: 0 kcal/mol
- -analytic 2.3982e+000 -7.6326e-005 -3.3787e+003 0.0000e+000 0.0000e+000
-# -Range: 0-300
-
-Sb2O4
- Sb2O4 +3.0000 H2O = + 0.5000 O2 + 2.0000 Sb(OH)3
- log_k -39.6139
- -delta_H 211.121 kJ/mol # Calculated enthalpy of reaction Sb2O4
-# Enthalpy of formation: -907.251 kJ/mol
-
-Sb2O5
- Sb2O5 +3.0000 H2O = + 1.0000 O2 + 2.0000 Sb(OH)3
- log_k -46.9320
- -delta_H 269.763 kJ/mol # Calculated enthalpy of reaction Sb2O5
-# Enthalpy of formation: -971.96 kJ/mol
-
-Sb4O6(cubic)
- Sb4O6 +6.0000 H2O = + 4.0000 Sb(OH)3
- log_k -19.6896
- -delta_H 59.898 kJ/mol # Calculated enthalpy of reaction Sb4O6(cubic)
-# Enthalpy of formation: -1440.02 kJ/mol
-
-Sb4O6(orthorhombic)
- Sb4O6 +6.0000 H2O = + 4.0000 Sb(OH)3
- log_k -17.0442
- -delta_H 37.314 kJ/mol # Calculated enthalpy of reaction Sb4O6(orthorhombic)
-# Enthalpy of formation: -1417.44 kJ/mol
-
-SbBr3
- SbBr3 +3.0000 H2O = + 1.0000 Sb(OH)3 + 3.0000 Br- + 3.0000 H+
- log_k 1.0554
- -delta_H -21.5871 kJ/mol # Calculated enthalpy of reaction SbBr3
-# Enthalpy of formation: -259.197 kJ/mol
-
-SbCl3
- SbCl3 +3.0000 H2O = + 1.0000 Sb(OH)3 + 3.0000 Cl- + 3.0000 H+
- log_k 0.5878
- -delta_H -35.393 kJ/mol # Calculated enthalpy of reaction SbCl3
-# Enthalpy of formation: -382.12 kJ/mol
-
-Sc
- Sc +3.0000 H+ +0.7500 O2 = + 1.0000 Sc+++ + 1.5000 H2O
- log_k 167.2700
- -delta_H -1033.87 kJ/mol # Calculated enthalpy of reaction Sc
-# Enthalpy of formation: 0 kJ/mol
- -analytic -6.6922e+001 -2.9150e-002 5.4559e+004 2.4189e+001 8.5137e+002
-# -Range: 0-300
-
-Scacchite
- MnCl2 = + 1.0000 Mn++ + 2.0000 Cl-
- log_k 8.7785
- -delta_H -73.4546 kJ/mol # Calculated enthalpy of reaction Scacchite
-# Enthalpy of formation: -481.302 kJ/mol
- -analytic -2.3476e+002 -8.2437e-002 9.0088e+003 9.6128e+001 1.4064e+002
-# -Range: 0-300
-
-Schoepite
- UO3:2H2O +2.0000 H+ = + 1.0000 UO2++ + 3.0000 H2O
- log_k 4.8333
- -delta_H -50.415 kJ/mol # Calculated enthalpy of reaction Schoepite
-# Enthalpy of formation: -1826.1 kJ/mol
- -analytic 1.3645e+001 1.0884e-002 2.5412e+003 -8.3167e+000 3.9649e+001
-# -Range: 0-300
-
-Schoepite-dehy(.393)
- UO3:.393H2O +2.0000 H+ = + 1.0000 UO2++ + 1.3930 H2O
- log_k 6.7243
- -delta_H -69.2728 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.393)
-# Enthalpy of formation: -1347.9 kJ/mol
- -analytic -5.6487e+001 -3.0358e-003 5.7044e+003 1.8179e+001 9.6887e+001
-# -Range: 0-200
-
-Schoepite-dehy(.648)
- UO3:.648H2O +2.0000 H+ = + 1.0000 UO2++ + 1.6480 H2O
- log_k 6.2063
- -delta_H -65.4616 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.648)
-# Enthalpy of formation: -1424.6 kJ/mol
- -analytic -6.3010e+001 -3.0276e-003 5.8033e+003 2.0471e+001 9.8569e+001
-# -Range: 0-200
-
-Schoepite-dehy(.85)
- UO3:.85H2O +2.0000 H+ = + 1.0000 UO2++ + 1.8500 H2O
- log_k 5.0970
- -delta_H -56.4009 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.85)
-# Enthalpy of formation: -1491.4 kJ/mol
- -analytic -6.7912e+001 -3.0420e-003 5.5690e+003 2.2323e+001 9.4593e+001
-# -Range: 0-200
-
-Schoepite-dehy(.9)
- UO3:.9H2O +2.0000 H+ = + 1.0000 UO2++ + 1.9000 H2O
- log_k 5.0167
- -delta_H -55.7928 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.9)
-# Enthalpy of formation: -1506.3 kJ/mol
- -analytic -1.5998e+001 -2.0144e-003 3.2910e+003 4.2751e+000 5.1358e+001
-# -Range: 0-300
-
-Schoepite-dehy(1.0)
- UO3:H2O +2.0000 H+ = + 1.0000 UO2++ + 2.0000 H2O
- log_k 5.1031
- -delta_H -57.4767 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(1.0)
-# Enthalpy of formation: -1533.2 kJ/mol
- -analytic -7.2080e+001 -3.0503e-003 5.8024e+003 2.3695e+001 9.8557e+001
-# -Range: 0-200
-
-Scolecite
- CaAl2Si3O10:3H2O +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Al+++ + 3.0000 SiO2 + 7.0000 H2O
- log_k 15.8767
- -delta_H -204.93 kJ/mol # Calculated enthalpy of reaction Scolecite
-# Enthalpy of formation: -6048.92 kJ/mol
- -analytic 5.0656e+001 -3.1485e-003 1.0574e+004 -2.5663e+001 -5.2769e+005
-# -Range: 0-300
-
-Se
- Se +1.0000 H2O +1.0000 O2 = + 1.0000 SeO3-- + 2.0000 H+
- log_k 26.1436
- -delta_H -211.221 kJ/mol # Calculated enthalpy of reaction Se
-# Enthalpy of formation: 0 kJ/mol
- -analytic -9.5144e+001 -6.5681e-002 1.0736e+004 4.2358e+001 1.6755e+002
-# -Range: 0-300
-
-Se2O5
- Se2O5 +2.0000 H2O = + 1.0000 SeO3-- + 1.0000 SeO4-- + 4.0000 H+
- log_k 9.5047
- -delta_H -123.286 kJ/mol # Calculated enthalpy of reaction Se2O5
-# Enthalpy of formation: -98.8 kcal/mol
- -analytic 1.1013e+002 -2.4491e-002 -5.6147e+002 -3.6960e+001 -9.5719e+000
-# -Range: 0-200
-
-SeCl4
- SeCl4 +3.0000 H2O = + 1.0000 SeO3-- + 4.0000 Cl- + 6.0000 H+
- log_k 14.4361
- -delta_H -131.298 kJ/mol # Calculated enthalpy of reaction SeCl4
-# Enthalpy of formation: -45.1 kcal/mol
- -analytic -4.0215e+002 -1.8323e-001 1.3074e+004 1.7267e+002 2.0413e+002
-# -Range: 0-300
-
-SeO3
- SeO3 +1.0000 H2O = + 1.0000 SeO4-- + 2.0000 H+
- log_k 19.2015
- -delta_H -143.022 kJ/mol # Calculated enthalpy of reaction SeO3
-# Enthalpy of formation: -40.7 kcal/mol
- -analytic -1.4199e+002 -6.4398e-002 9.5505e+003 5.9941e+001 1.4907e+002
-# -Range: 0-300
-
-Sellaite
- MgF2 = + 1.0000 Mg++ + 2.0000 F-
- log_k -9.3843
- -delta_H -12.4547 kJ/mol # Calculated enthalpy of reaction Sellaite
-# Enthalpy of formation: -1124.2 kJ/mol
- -analytic -2.6901e+002 -8.5487e-002 6.8237e+003 1.0595e+002 1.0656e+002
-# -Range: 0-300
-
-Sepiolite
- Mg4Si6O15(OH)2:6H2O +8.0000 H+ = + 4.0000 Mg++ + 6.0000 SiO2 + 11.0000 H2O
- log_k 30.4439
- -delta_H -157.339 kJ/mol # Calculated enthalpy of reaction Sepiolite
-# Enthalpy of formation: -2418 kcal/mol
- -analytic 1.8690e+001 4.7544e-002 2.6765e+004 -2.5301e+001 -2.6498e+006
-# -Range: 0-300
-
-Shcherbinaite
- V2O5 +2.0000 H+ = + 1.0000 H2O + 2.0000 VO2+
- log_k -1.4520
- -delta_H -34.7917 kJ/mol # Calculated enthalpy of reaction Shcherbinaite
-# Enthalpy of formation: -1550.6 kJ/mol
- -analytic -1.4791e+002 -2.2464e-002 6.6865e+003 5.2832e+001 1.0438e+002
-# -Range: 0-300
-
-Si
- Si +1.0000 O2 = + 1.0000 SiO2
- log_k 148.9059
- -delta_H -865.565 kJ/mol # Calculated enthalpy of reaction Si
-# Enthalpy of formation: 0 kJ/mol
- -analytic -5.7245e+002 -7.6302e-002 8.3516e+004 2.0045e+002 -2.8494e+006
-# -Range: 0-300
-
-SiO2(am)
- SiO2 = + 1.0000 SiO2
- log_k -2.7136
- -delta_H 20.0539 kJ/mol # Calculated enthalpy of reaction SiO2(am)
-# Enthalpy of formation: -214.568 kcal/mol
- -analytic 1.2109e+000 7.0767e-003 2.3634e+003 -3.4449e+000 -4.8591e+005
-# -Range: 0-300
-
-Siderite
- FeCO3 +1.0000 H+ = + 1.0000 Fe++ + 1.0000 HCO3-
- log_k -0.1920
- -delta_H -32.5306 kJ/mol # Calculated enthalpy of reaction Siderite
-# Enthalpy of formation: -179.173 kcal/mol
- -analytic -1.5990e+002 -4.9361e-002 5.4947e+003 6.3032e+001 8.5787e+001
-# -Range: 0-300
-
-Sillimanite
- Al2SiO5 +6.0000 H+ = + 1.0000 SiO2 + 2.0000 Al+++ + 3.0000 H2O
- log_k 16.3080
- -delta_H -238.442 kJ/mol # Calculated enthalpy of reaction Sillimanite
-# Enthalpy of formation: -615.099 kcal/mol
- -analytic -7.1610e+001 -3.2196e-002 1.2493e+004 2.2449e+001 1.9496e+002
-# -Range: 0-300
-
-Sklodowskite
- Mg(H3O)2(UO2)2(SiO4)2:4H2O +6.0000 H+ = + 1.0000 Mg++ + 2.0000 SiO2 + 2.0000 UO2++ + 10.0000 H2O
- log_k 13.7915
- -delta_H 0 # Not possible to calculate enthalpy of reaction Sklodowskite
-# Enthalpy of formation: 0 kcal/mol
-
-Sm
- Sm +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Sm++
- log_k 133.1614
- -delta_H -783.944 kJ/mol # Calculated enthalpy of reaction Sm
-# Enthalpy of formation: 0 kJ/mol
- -analytic -7.1599e+001 -2.0083e-002 4.2693e+004 2.7291e+001 6.6621e+002
-# -Range: 0-300
-
-Sm(OH)3
- Sm(OH)3 +3.0000 H+ = + 1.0000 Sm+++ + 3.0000 H2O
- log_k 16.4852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(OH)3
-# Enthalpy of formation: 0 kcal/mol
-
-Sm(OH)3(am)
- Sm(OH)3 +3.0000 H+ = + 1.0000 Sm+++ + 3.0000 H2O
- log_k 18.5852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(OH)3(am)
-# Enthalpy of formation: 0 kcal/mol
-
-Sm2(CO3)3
- Sm2(CO3)3 +3.0000 H+ = + 2.0000 Sm+++ + 3.0000 HCO3-
- log_k -3.5136
- -delta_H 0 # Not possible to calculate enthalpy of reaction Sm2(CO3)3
-# Enthalpy of formation: 0 kcal/mol
-
-Sm2(SO4)3
- Sm2(SO4)3 = + 2.0000 Sm+++ + 3.0000 SO4--
- log_k -9.8000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Sm2(SO4)3
-# Enthalpy of formation: 0 kcal/mol
-
-Sm2O3
- Sm2O3 +6.0000 H+ = + 2.0000 Sm+++ + 3.0000 H2O
- log_k 42.9000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Sm2O3
-# Enthalpy of formation: 0 kcal/mol
-
-SmF3:.5H2O
- SmF3:.5H2O = + 0.5000 H2O + 1.0000 Sm+++ + 3.0000 F-
- log_k -17.5000
- -delta_H 0 # Not possible to calculate enthalpy of reaction SmF3:.5H2O
-# Enthalpy of formation: 0 kcal/mol
-
-SmPO4:10H2O
- SmPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Sm+++ + 10.0000 H2O
- log_k -12.1782
- -delta_H 0 # Not possible to calculate enthalpy of reaction SmPO4:10H2O
-# Enthalpy of formation: 0 kcal/mol
-
-Smectite-high-Fe-Mg
-# Ca.025Na.1K.2Fe++.5Fe+++.2Mg1.15Al1.25Si3.5H2O12 +8.0000 H+ = + 0.0250 Ca++ + 0.1000 Na+ + 0.2000 Fe+++ + 0.2000 K+ + 0.5000 Fe++ + 1.1500 Mg++ + 1.2500 Al+++ + 3.5000 SiO2 + 5.0000 H2O
- Ca.025Na.1K.2Fe.5Fe.2Mg1.15Al1.25Si3.5H2O12 +8.0000 H+ = + 0.0250 Ca++ + 0.1000 Na+ + 0.2000 Fe+++ + 0.2000 K+ + 0.5000 Fe++ + 1.1500 Mg++ + 1.2500 Al+++ + 3.5000 SiO2 + 5.0000 H2O
- log_k 17.4200
- -delta_H -199.841 kJ/mol # Calculated enthalpy of reaction Smectite-high-Fe-Mg
-# Enthalpy of formation: -1351.39 kcal/mol
- -analytic -9.6102e+000 1.2551e-003 1.8157e+004 -7.9862e+000 -1.3005e+006
-# -Range: 0-300
-
-Smectite-low-Fe-Mg
-# Ca.02Na.15K.2Fe++.29Fe+++.16Mg.9Al1.25Si3.75H2O1 +7.0000 H+ = + 0.0200 Ca++ + 0.1500 Na+ + 0.1600 Fe+++ + 0.2000 K+ + 0.2900 Fe++ + 0.9000 Mg++ + 1.2500 Al+++ + 3.7500 SiO2 + 4.5000 H2O
- Ca.02Na.15K.2Fe.29Fe.16Mg.9Al1.25Si3.75H2O12 +7.0000 H+ = + 0.0200 Ca++ + 0.1500 Na+ + 0.1600 Fe+++ + 0.2000 K+ + 0.2900 Fe++ + 0.9000 Mg++ + 1.2500 Al+++ + 3.7500 SiO2 + 4.5000 H2O
- log_k 11.0405
- -delta_H -144.774 kJ/mol # Calculated enthalpy of reaction Smectite-low-Fe-Mg
-# Enthalpy of formation: -1352.12 kcal/mol
- -analytic -1.7003e+001 6.9848e-003 1.8359e+004 -6.8896e+000 -1.6637e+006
-# -Range: 0-300
-
-Smithsonite
- ZnCO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Zn++
- log_k 0.4633
- -delta_H -30.5348 kJ/mol # Calculated enthalpy of reaction Smithsonite
-# Enthalpy of formation: -194.26 kcal/mol
- -analytic -1.6452e+002 -5.0231e-002 5.5925e+003 6.5139e+001 8.7314e+001
-# -Range: 0-300
-
-Sn
- Sn +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Sn++
- log_k 47.8615
- -delta_H -288.558 kJ/mol # Calculated enthalpy of reaction Sn
-# Enthalpy of formation: 0 kcal/mol
- -analytic -1.3075e+002 -3.3807e-002 1.9548e+004 5.0382e+001 -1.3868e+005
-# -Range: 0-300
-
-Sn(OH)2
- Sn(OH)2 +2.0000 H+ = + 1.0000 Sn++ + 2.0000 H2O
- log_k 1.8400
- -delta_H -19.6891 kJ/mol # Calculated enthalpy of reaction Sn(OH)2
-# Enthalpy of formation: -560.774 kJ/mol
- -analytic -6.1677e+001 -5.3258e-003 3.3656e+003 2.1748e+001 5.7174e+001
-# -Range: 0-200
-
-Sn(SO4)2
- Sn(SO4)2 = + 1.0000 Sn++++ + 2.0000 SO4--
- log_k 16.0365
- -delta_H -159.707 kJ/mol # Calculated enthalpy of reaction Sn(SO4)2
-# Enthalpy of formation: -389.4 kcal/mol
- -analytic 1.7787e+001 -5.1758e-002 3.7671e+003 4.1861e-001 6.3965e+001
-# -Range: 0-200
-
-Sn3S4
- Sn3S4 +4.0000 H+ = + 1.0000 Sn++++ + 2.0000 Sn++ + 4.0000 HS-
- log_k -61.9790
- -delta_H 318.524 kJ/mol # Calculated enthalpy of reaction Sn3S4
-# Enthalpy of formation: -88.5 kcal/mol
- -analytic -8.1325e+001 -7.4589e-002 -1.7953e+004 4.1138e+001 -3.0484e+002
-# -Range: 0-200
-
-SnBr2
- SnBr2 = + 1.0000 Sn++ + 2.0000 Br-
- log_k -1.4369
- -delta_H 8.24248 kJ/mol # Calculated enthalpy of reaction SnBr2
-# Enthalpy of formation: -62.15 kcal/mol
- -analytic 2.5384e+001 -1.7350e-002 -2.6653e+003 -5.1400e+000 -4.5269e+001
-# -Range: 0-200
-
-SnBr4
- SnBr4 = + 1.0000 Sn++++ + 4.0000 Br-
- log_k 11.1272
- -delta_H -78.3763 kJ/mol # Calculated enthalpy of reaction SnBr4
-# Enthalpy of formation: -377.391 kJ/mol
- -analytic 1.3516e+001 -5.5193e-002 -8.1888e+001 5.7935e+000 -1.3940e+000
-# -Range: 0-200
-
-SnCl2
- SnCl2 = + 1.0000 Sn++ + 2.0000 Cl-
- log_k 0.3225
- -delta_H -11.9913 kJ/mol # Calculated enthalpy of reaction SnCl2
-# Enthalpy of formation: -79.1 kcal/mol
- -analytic 7.9717e+000 -2.1475e-002 -1.1676e+003 1.0749e+000 -1.9829e+001
-# -Range: 0-200
-
-SnSO4
- SnSO4 = + 1.0000 SO4-- + 1.0000 Sn++
- log_k -23.9293
- -delta_H 96.232 kJ/mol # Calculated enthalpy of reaction SnSO4
-# Enthalpy of formation: -242.5 kcal/mol
- -analytic 3.0046e+001 -1.4238e-002 -7.5915e+003 -9.8122e+000 -1.2892e+002
-# -Range: 0-200
-
-SnSe
- SnSe = + 1.0000 Se-- + 1.0000 Sn++
- log_k -32.9506
- -delta_H 0 # Not possible to calculate enthalpy of reaction SnSe
-# Enthalpy of formation: -21.2 kcal/mol
- -analytic 4.2342e+000 9.5462e-004 -8.0009e+003 -4.2997e+000 -1.3587e+002
-# -Range: 0-200
-
-SnSe2
- SnSe2 = + 1.0000 Sn++++ + 2.0000 Se--
- log_k -66.6570
- -delta_H 0 # Not possible to calculate enthalpy of reaction SnSe2
-# Enthalpy of formation: -29.8 kcal/mol
- -analytic -3.6819e+001 -2.0966e-002 -1.5197e+004 1.1070e+001 -2.5806e+002
-# -Range: 0-200
-
-Soddyite
- (UO2)2SiO4:2H2O +4.0000 H+ = + 1.0000 SiO2 + 2.0000 UO2++ + 4.0000 H2O
- log_k 0.3920
- -delta_H 0 # Not possible to calculate enthalpy of reaction Soddyite
-# Enthalpy of formation: 0 kcal/mol
-
-Sphaerocobaltite
- CoCO3 +1.0000 H+ = + 1.0000 Co++ + 1.0000 HCO3-
- log_k -0.2331
- -delta_H -30.7064 kJ/mol # Calculated enthalpy of reaction Sphaerocobaltite
-# Enthalpy of formation: -171.459 kcal/mol
- -analytic -1.5709e+002 -4.8957e-002 5.3158e+003 6.2075e+001 8.2995e+001
-# -Range: 0-300
-
-Sphalerite
- ZnS +1.0000 H+ = + 1.0000 HS- + 1.0000 Zn++
- log_k -11.4400
- -delta_H 35.5222 kJ/mol # Calculated enthalpy of reaction Sphalerite
-# Enthalpy of formation: -49 kcal/mol
- -analytic -1.5497e+002 -4.8953e-002 1.7850e+003 6.1472e+001 2.7899e+001
-# -Range: 0-300
-
-Spinel
- Al2MgO4 +8.0000 H+ = + 1.0000 Mg++ + 2.0000 Al+++ + 4.0000 H2O
- log_k 37.6295
- -delta_H -398.108 kJ/mol # Calculated enthalpy of reaction Spinel
-# Enthalpy of formation: -546.847 kcal/mol
- -analytic -3.3895e+002 -8.3595e-002 2.9251e+004 1.2260e+002 4.5654e+002
-# -Range: 0-300
-
-Spinel-Co
- Co3O4 +8.0000 H+ = + 1.0000 Co++ + 2.0000 Co+++ + 4.0000 H2O
- log_k -6.4852
- -delta_H -126.415 kJ/mol # Calculated enthalpy of reaction Spinel-Co
-# Enthalpy of formation: -891 kJ/mol
- -analytic -3.2239e+002 -8.0782e-002 1.4635e+004 1.1755e+002 2.2846e+002
-# -Range: 0-300
-
-Spodumene
- LiAlSi2O6 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Li+ + 2.0000 H2O + 2.0000 SiO2
- log_k 6.9972
- -delta_H -89.1817 kJ/mol # Calculated enthalpy of reaction Spodumene
-# Enthalpy of formation: -3054.75 kJ/mol
- -analytic -9.8111e+000 2.1191e-003 9.6920e+003 -3.0484e+000 -7.8822e+005
-# -Range: 0-300
-
-Sr
- Sr +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Sr++
- log_k 141.7816
- -delta_H -830.679 kJ/mol # Calculated enthalpy of reaction Sr
-# Enthalpy of formation: 0 kJ/mol
- -analytic -1.6271e+002 -3.1212e-002 5.1520e+004 5.9178e+001 -4.8390e+005
-# -Range: 0-300
-
-Sr(NO3)2
- Sr(NO3)2 = + 1.0000 Sr++ + 2.0000 NO3-
- log_k 1.1493
- -delta_H 13.7818 kJ/mol # Calculated enthalpy of reaction Sr(NO3)2
-# Enthalpy of formation: -978.311 kJ/mol
- -analytic 2.8914e+000 -1.2487e-002 -1.4872e+003 2.8124e+000 -2.5256e+001
-# -Range: 0-200
-
-Sr(NO3)2:4H2O
- Sr(NO3)2:4H2O = + 1.0000 Sr++ + 2.0000 NO3- + 4.0000 H2O
- log_k 0.6976
- -delta_H 47.9045 kJ/mol # Calculated enthalpy of reaction Sr(NO3)2:4H2O
-# Enthalpy of formation: -2155.79 kJ/mol
- -analytic -8.4518e+001 -9.1155e-003 1.0856e+003 3.4061e+001 1.8464e+001
-# -Range: 0-200
-
-Sr(OH)2
- Sr(OH)2 +2.0000 H+ = + 1.0000 Sr++ + 2.0000 H2O
- log_k 27.5229
- -delta_H -153.692 kJ/mol # Calculated enthalpy of reaction Sr(OH)2
-# Enthalpy of formation: -968.892 kJ/mol
- -analytic -5.1871e+001 -2.9123e-003 1.0175e+004 1.8643e+001 1.7280e+002
-# -Range: 0-200
-
-Sr2SiO4
- Sr2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Sr++
- log_k 42.8076
- -delta_H -244.583 kJ/mol # Calculated enthalpy of reaction Sr2SiO4
-# Enthalpy of formation: -2306.61 kJ/mol
- -analytic 3.0319e+001 2.0204e-003 1.2729e+004 -1.1584e+001 -1.9480e+005
-# -Range: 0-300
-
-Sr3(AsO4)2
- Sr3(AsO4)2 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 Sr++
- log_k 20.6256
- -delta_H -152.354 kJ/mol # Calculated enthalpy of reaction Sr3(AsO4)2
-# Enthalpy of formation: -3319.49 kJ/mol
- -analytic -8.4749e+001 -2.9367e-002 9.5849e+003 3.3126e+001 1.6279e+002
-# -Range: 0-200
-
-SrBr2
- SrBr2 = + 1.0000 Sr++ + 2.0000 Br-
- log_k 13.1128
- -delta_H -75.106 kJ/mol # Calculated enthalpy of reaction SrBr2
-# Enthalpy of formation: -718.808 kJ/mol
- -analytic -1.8512e+002 -7.2423e-002 7.6861e+003 7.8401e+001 1.1999e+002
-# -Range: 0-300
-
-SrBr2:6H2O
- SrBr2:6H2O = + 1.0000 Sr++ + 2.0000 Br- + 6.0000 H2O
- log_k 3.6678
- -delta_H 23.367 kJ/mol # Calculated enthalpy of reaction SrBr2:6H2O
-# Enthalpy of formation: -2532.31 kJ/mol
- -analytic -2.2470e+002 -6.7920e-002 4.9432e+003 9.3758e+001 7.7200e+001
-# -Range: 0-300
-
-SrBr2:H2O
- SrBr2:H2O = + 1.0000 H2O + 1.0000 Sr++ + 2.0000 Br-
- log_k 9.6057
- -delta_H -47.5853 kJ/mol # Calculated enthalpy of reaction SrBr2:H2O
-# Enthalpy of formation: -1032.17 kJ/mol
- -analytic -1.9103e+002 -7.1402e-002 6.6358e+003 8.0673e+001 1.0360e+002
-# -Range: 0-300
-
-SrCl2
- SrCl2 = + 1.0000 Sr++ + 2.0000 Cl-
- log_k 7.9389
- -delta_H -55.0906 kJ/mol # Calculated enthalpy of reaction SrCl2
-# Enthalpy of formation: -829.976 kJ/mol
- -analytic -2.0097e+002 -7.6193e-002 7.0396e+003 8.4050e+001 1.0991e+002
-# -Range: 0-300
-
-SrCl2:2H2O
- SrCl2:2H2O = + 1.0000 Sr++ + 2.0000 Cl- + 2.0000 H2O
- log_k 3.3248
- -delta_H -17.7313 kJ/mol # Calculated enthalpy of reaction SrCl2:2H2O
-# Enthalpy of formation: -1439.01 kJ/mol
- -analytic -2.1551e+002 -7.4349e-002 5.9400e+003 8.9330e+001 9.2752e+001
-# -Range: 0-300
-
-SrCl2:6H2O
- SrCl2:6H2O = + 1.0000 Sr++ + 2.0000 Cl- + 6.0000 H2O
- log_k 1.5038
- -delta_H 24.6964 kJ/mol # Calculated enthalpy of reaction SrCl2:6H2O
-# Enthalpy of formation: -2624.79 kJ/mol
- -analytic -1.3225e+002 -1.8260e-002 3.7077e+003 5.1224e+001 6.3008e+001
-# -Range: 0-200
-
-SrCl2:H2O
- SrCl2:H2O = + 1.0000 H2O + 1.0000 Sr++ + 2.0000 Cl-
- log_k 4.7822
- -delta_H -33.223 kJ/mol # Calculated enthalpy of reaction SrCl2:H2O
-# Enthalpy of formation: -1137.68 kJ/mol
- -analytic -2.1825e+002 -7.7851e-002 6.5957e+003 9.0555e+001 1.0298e+002
-# -Range: 0-300
-
-SrCrO4
- SrCrO4 = + 1.0000 CrO4-- + 1.0000 Sr++
- log_k -3.8849
- -delta_H -1.73636 kJ/mol # Calculated enthalpy of reaction SrCrO4
-# Enthalpy of formation: -341.855 kcal/mol
- -analytic 2.3424e+001 -1.5589e-002 -2.1393e+003 -6.2628e+000 -3.6337e+001
-# -Range: 0-200
-
-SrF2
- SrF2 = + 1.0000 Sr++ + 2.0000 F-
- log_k -8.5400
- -delta_H 0 # Not possible to calculate enthalpy of reaction SrF2
-# Enthalpy of formation: 0 kcal/mol
-
-SrHPO4
- SrHPO4 = + 1.0000 HPO4-- + 1.0000 Sr++
- log_k -6.2416
- -delta_H -19.7942 kJ/mol # Calculated enthalpy of reaction SrHPO4
-# Enthalpy of formation: -1823.19 kJ/mol
- -analytic 5.4057e+000 -1.8533e-002 -8.2021e+002 -1.3667e+000 -1.3930e+001
-# -Range: 0-200
-
-SrI2
- SrI2 = + 1.0000 Sr++ + 2.0000 I-
- log_k 19.2678
- -delta_H -103.218 kJ/mol # Calculated enthalpy of reaction SrI2
-# Enthalpy of formation: -561.494 kJ/mol
- -analytic -1.8168e+002 -7.2083e-002 9.0759e+003 7.7577e+001 1.4167e+002
-# -Range: 0-300
-
-SrO
- SrO +2.0000 H+ = + 1.0000 H2O + 1.0000 Sr++
- log_k 41.8916
- -delta_H -243.875 kJ/mol # Calculated enthalpy of reaction SrO
-# Enthalpy of formation: -592.871 kJ/mol
- -analytic -5.8463e+001 -1.4240e-002 1.4417e+004 2.2725e+001 2.2499e+002
-# -Range: 0-300
-
-SrS
- SrS +1.0000 H+ = + 1.0000 HS- + 1.0000 Sr++
- log_k 14.7284
- -delta_H -93.3857 kJ/mol # Calculated enthalpy of reaction SrS
-# Enthalpy of formation: -473.63 kJ/mol
- -analytic -1.3048e+002 -4.4837e-002 7.8429e+003 5.3442e+001 1.2242e+002
-# -Range: 0-300
-
-SrSeO4
- SrSeO4 = + 1.0000 SeO4-- + 1.0000 Sr++
- log_k -4.4000
- -delta_H 0 # Not possible to calculate enthalpy of reaction SrSeO4
-# Enthalpy of formation: 0 kcal/mol
-
-SrSiO3
- SrSiO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 SiO2 + 1.0000 Sr++
- log_k 14.8438
- -delta_H -79.6112 kJ/mol # Calculated enthalpy of reaction SrSiO3
-# Enthalpy of formation: -1634.83 kJ/mol
- -analytic 2.2592e+001 6.0821e-003 5.9982e+003 -1.0213e+001 -3.9529e+005
-# -Range: 0-300
-
-SrUO4(alpha)
- SrUO4 +4.0000 H+ = + 1.0000 Sr++ + 1.0000 UO2++ + 2.0000 H2O
- log_k 19.1650
- -delta_H -151.984 kJ/mol # Calculated enthalpy of reaction SrUO4(alpha)
-# Enthalpy of formation: -1989.6 kJ/mol
- -analytic -7.4169e+001 -1.6686e-002 9.8721e+003 2.6345e+001 1.5407e+002
-# -Range: 0-300
-
-SrZrO3
- SrZrO3 +4.0000 H+ = + 1.0000 H2O + 1.0000 Sr++ + 1.0000 Zr(OH)2++
- log_k -131.4664
- -delta_H 706.983 kJ/mol # Calculated enthalpy of reaction SrZrO3
-# Enthalpy of formation: -629.677 kcal/mol
- -analytic -5.8512e+001 -9.5738e-003 -3.5254e+004 1.9459e+001 -5.9865e+002
-# -Range: 0-200
-
-Starkeyite
- MgSO4:4H2O = + 1.0000 Mg++ + 1.0000 SO4-- + 4.0000 H2O
- log_k -0.9999
- -delta_H 0 # Not possible to calculate enthalpy of reaction Starkeyite
-# Enthalpy of formation: 0 kcal/mol
-
-Stibnite
- Sb2S3 +6.0000 H2O = + 2.0000 Sb(OH)3 + 3.0000 H+ + 3.0000 HS-
- log_k -53.1100
- -delta_H 0 # Not possible to calculate enthalpy of reaction Stibnite
-# Enthalpy of formation: 0 kcal/mol
- -analytic 2.5223e+001 -5.9186e-002 -2.0860e+004 3.6892e+000 -3.2551e+002
-# -Range: 0-300
-
-Stilbite
- Ca1.019Na.136K.006Al2.18Si6.82O18:7.33H2O +8.7200 H+ = + 0.0060 K+ + 0.1360 Na+ + 1.0190 Ca++ + 2.1800 Al+++ + 6.8200 SiO2 + 11.6900 H2O
- log_k 1.0545
- -delta_H -83.0019 kJ/mol # Calculated enthalpy of reaction Stilbite
-# Enthalpy of formation: -11005.7 kJ/mol
- -analytic -2.4483e+001 3.0987e-002 2.8013e+004 -1.5802e+001 -3.4491e+006
-# -Range: 0-300
-
-Stilleite
- ZnSe = + 1.0000 Se-- + 1.0000 Zn++
- log_k -23.9693
- -delta_H 0 # Not possible to calculate enthalpy of reaction Stilleite
-# Enthalpy of formation: -37.97 kcal/mol
- -analytic -6.1948e+001 -1.7004e-002 -2.4498e+003 2.0712e+001 -3.8209e+001
-# -Range: 0-300
-
-Strengite
- FePO4:2H2O +1.0000 H+ = + 1.0000 Fe+++ + 1.0000 HPO4-- + 2.0000 H2O
- log_k -11.3429
- -delta_H -37.107 kJ/mol # Calculated enthalpy of reaction Strengite
-# Enthalpy of formation: -1876.23 kJ/mol
- -analytic -2.7752e+002 -9.4014e-002 7.6862e+003 1.0846e+002 1.2002e+002
-# -Range: 0-300
-
-Strontianite
- SrCO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Sr++
- log_k -0.3137
- -delta_H -8.23411 kJ/mol # Calculated enthalpy of reaction Strontianite
-# Enthalpy of formation: -294.6 kcal/mol
- -analytic -1.3577e+002 -4.4884e-002 3.5729e+003 5.5296e+001 5.5791e+001
-# -Range: 0-300
-
-Sylvite
- KCl = + 1.0000 Cl- + 1.0000 K+
- log_k 0.8459
- -delta_H 17.4347 kJ/mol # Calculated enthalpy of reaction Sylvite
-# Enthalpy of formation: -104.37 kcal/mol
- -analytic -8.1204e+001 -3.3074e-002 8.2819e+002 3.6014e+001 1.2947e+001
-# -Range: 0-300
-
-Syngenite
- K2Ca(SO4)2:H2O = + 1.0000 Ca++ + 1.0000 H2O + 2.0000 K+ + 2.0000 SO4--
- log_k -7.6001
- -delta_H 0 # Not possible to calculate enthalpy of reaction Syngenite
-# Enthalpy of formation: 0 kcal/mol
-
-Tachyhydrite
- Mg2CaCl6:12H2O = + 1.0000 Ca++ + 2.0000 Mg++ + 6.0000 Cl- + 12.0000 H2O
- log_k 17.1439
- -delta_H 0 # Not possible to calculate enthalpy of reaction Tachyhydrite
-# Enthalpy of formation: 0 kcal/mol
-
-Talc
- Mg3Si4O10(OH)2 +6.0000 H+ = + 3.0000 Mg++ + 4.0000 H2O + 4.0000 SiO2
- log_k 21.1383
- -delta_H -148.737 kJ/mol # Calculated enthalpy of reaction Talc
-# Enthalpy of formation: -1410.92 kcal/mol
- -analytic 1.1164e+001 2.4724e-002 1.9810e+004 -1.7568e+001 -1.8241e+006
-# -Range: 0-300
-
-Tarapacaite
- K2CrO4 = + 1.0000 CrO4-- + 2.0000 K+
- log_k -0.4037
- -delta_H 17.8238 kJ/mol # Calculated enthalpy of reaction Tarapacaite
-# Enthalpy of formation: -335.4 kcal/mol
- -analytic 2.7953e+001 -1.0863e-002 -2.7589e+003 -6.4154e+000 -4.6859e+001
-# -Range: 0-200
-
-Tb
- Tb +3.0000 H+ +0.7500 O2 = + 1.0000 Tb+++ + 1.5000 H2O
- log_k 181.4170
- -delta_H -1117.97 kJ/mol # Calculated enthalpy of reaction Tb
-# Enthalpy of formation: 0 kJ/mol
- -analytic -5.2354e+001 -2.6920e-002 5.8391e+004 1.8555e+001 9.1115e+002
-# -Range: 0-300
-
-Tb(OH)3
- Tb(OH)3 +3.0000 H+ = + 1.0000 Tb+++ + 3.0000 H2O
- log_k 15.6852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(OH)3
-# Enthalpy of formation: 0 kcal/mol
-
-Tb(OH)3(am)
- Tb(OH)3 +3.0000 H+ = + 1.0000 Tb+++ + 3.0000 H2O
- log_k 18.7852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(OH)3(am)
-# Enthalpy of formation: 0 kcal/mol
-
-Tb2(CO3)3
- Tb2(CO3)3 +3.0000 H+ = + 2.0000 Tb+++ + 3.0000 HCO3-
- log_k -3.2136
- -delta_H 0 # Not possible to calculate enthalpy of reaction Tb2(CO3)3
-# Enthalpy of formation: 0 kcal/mol
-
-Tb2O3
- Tb2O3 +6.0000 H+ = + 2.0000 Tb+++ + 3.0000 H2O
- log_k 47.1000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Tb2O3
-# Enthalpy of formation: 0 kcal/mol
-
-TbF3:.5H2O
- TbF3:.5H2O = + 0.5000 H2O + 1.0000 Tb+++ + 3.0000 F-
- log_k -16.7000
- -delta_H 0 # Not possible to calculate enthalpy of reaction TbF3:.5H2O
-# Enthalpy of formation: 0 kcal/mol
-
-TbPO4:10H2O
- TbPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Tb+++ + 10.0000 H2O
- log_k -11.9782
- -delta_H 0 # Not possible to calculate enthalpy of reaction TbPO4:10H2O
-# Enthalpy of formation: 0 kcal/mol
-
-Tc
- Tc +1.7500 O2 +0.5000 H2O = + 1.0000 H+ + 1.0000 TcO4-
- log_k 93.5811
- -delta_H -552.116 kJ/mol # Calculated enthalpy of reaction Tc
-# Enthalpy of formation: 0 kJ/mol
- -analytic 2.2670e+001 -1.2050e-002 3.0174e+004 -8.4053e+000 -5.2577e+005
-# -Range: 0-300
-
-Tc(OH)2
- Tc(OH)2 +3.0000 H+ +0.2500 O2 = + 1.0000 Tc+++ + 2.5000 H2O
- log_k 5.2714
- -delta_H 0 # Not possible to calculate enthalpy of reaction Tc(OH)2
-# Enthalpy of formation: 0 kcal/mol
-
-Tc(OH)3
- Tc(OH)3 +3.0000 H+ = + 1.0000 Tc+++ + 3.0000 H2O
- log_k -9.2425
- -delta_H 0 # Not possible to calculate enthalpy of reaction Tc(OH)3
-# Enthalpy of formation: 0 kcal/mol
-
-Tc2O7
- Tc2O7 +1.0000 H2O = + 2.0000 H+ + 2.0000 TcO4-
- log_k 13.1077
- -delta_H -26.5357 kJ/mol # Calculated enthalpy of reaction Tc2O7
-# Enthalpy of formation: -1120.16 kJ/mol
- -analytic 8.7535e+001 1.5366e-002 -1.1919e+003 -3.0317e+001 -2.0271e+001
-# -Range: 0-200
-
-Tc2S7
- Tc2S7 +8.0000 H2O = + 2.0000 TcO4- + 7.0000 HS- + 9.0000 H+
- log_k -230.2410
- -delta_H 1356.41 kJ/mol # Calculated enthalpy of reaction Tc2S7
-# Enthalpy of formation: -615 kJ/mol
- -analytic 2.4560e+002 -4.3355e-002 -8.4192e+004 -7.2967e+001 -1.4298e+003
-# -Range: 0-200
-
-Tc3O4
- Tc3O4 +9.0000 H+ +0.2500 O2 = + 3.0000 Tc+++ + 4.5000 H2O
- log_k -19.2271
- -delta_H 0 # Not possible to calculate enthalpy of reaction Tc3O4
-# Enthalpy of formation: 0 kcal/mol
-
-Tc4O7
- Tc4O7 +10.0000 H+ = + 2.0000 Tc+++ + 2.0000 TcO++ + 5.0000 H2O
- log_k -26.0149
- -delta_H 0 # Not possible to calculate enthalpy of reaction Tc4O7
-# Enthalpy of formation: 0 kcal/mol
-
-TcO2:2H2O(am)
- TcO2:2H2O +2.0000 H+ = + 1.0000 TcO++ + 3.0000 H2O
- log_k -4.2319
- -delta_H 0 # Not possible to calculate enthalpy of reaction TcO2:2H2O(am)
-# Enthalpy of formation: 0 kcal/mol
-
-TcO3
- TcO3 +1.0000 H2O = + 1.0000 TcO4-- + 2.0000 H+
- log_k -23.1483
- -delta_H 0 # Not possible to calculate enthalpy of reaction TcO3
-# Enthalpy of formation: -540 kJ/mol
-
-TcOH
- TcOH +3.0000 H+ +0.5000 O2 = + 1.0000 Tc+++ + 2.0000 H2O
- log_k 24.9009
- -delta_H 0 # Not possible to calculate enthalpy of reaction TcOH
-# Enthalpy of formation: 0 kcal/mol
-
-TcS2
- TcS2 +1.0000 H2O = + 1.0000 TcO++ + 2.0000 HS-
- log_k -65.9742
- -delta_H 0 # Not possible to calculate enthalpy of reaction TcS2
-# Enthalpy of formation: -224 kJ/mol
-
-TcS3
- TcS3 +4.0000 H2O = + 1.0000 TcO4-- + 3.0000 HS- + 5.0000 H+
- log_k -119.5008
- -delta_H 0 # Not possible to calculate enthalpy of reaction TcS3
-# Enthalpy of formation: -276 kJ/mol
-
-Tenorite
- CuO +2.0000 H+ = + 1.0000 Cu++ + 1.0000 H2O
- log_k 7.6560
- -delta_H -64.5047 kJ/mol # Calculated enthalpy of reaction Tenorite
-# Enthalpy of formation: -37.2 kcal/mol
- -analytic -8.9899e+001 -1.8886e-002 6.0346e+003 3.3517e+001 9.4191e+001
-# -Range: 0-300
-
-Tephroite
- Mn2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Mn++
- log_k 23.0781
- -delta_H -160.1 kJ/mol # Calculated enthalpy of reaction Tephroite
-# Enthalpy of formation: -1730.47 kJ/mol
- -analytic -3.2440e+001 -1.1023e-002 8.8910e+003 1.1691e+001 1.3875e+002
-# -Range: 0-300
-
-Th
- Th +4.0000 H+ +1.0000 O2 = + 1.0000 Th++++ + 2.0000 H2O
- log_k 209.6028
- -delta_H -1328.56 kJ/mol # Calculated enthalpy of reaction Th
-# Enthalpy of formation: 0 kJ/mol
- -analytic -2.8256e+001 -1.1963e-002 6.8870e+004 4.2068e+000 1.0747e+003
-# -Range: 0-300
-
-Th(NO3)4:5H2O
- Th(NO3)4:5H2O = + 1.0000 Th++++ + 4.0000 NO3- + 5.0000 H2O
- log_k 1.7789
- -delta_H -18.1066 kJ/mol # Calculated enthalpy of reaction Th(NO3)4:5H2O
-# Enthalpy of formation: -3007.35 kJ/mol
- -analytic -1.2480e+002 -2.0405e-002 5.1601e+003 4.6613e+001 8.7669e+001
-# -Range: 0-200
-
-Th(OH)4
- Th(OH)4 +4.0000 H+ = + 1.0000 Th++++ + 4.0000 H2O
- log_k 9.6543
- -delta_H -140.336 kJ/mol # Calculated enthalpy of reaction Th(OH)4
-# Enthalpy of formation: -423.527 kcal/mol
- -analytic -1.4031e+002 -9.2493e-003 1.2345e+004 4.4990e+001 2.0968e+002
-# -Range: 0-200
-
-Th(SO4)2
- Th(SO4)2 = + 1.0000 Th++++ + 2.0000 SO4--
- log_k -20.3006
- -delta_H -46.1064 kJ/mol # Calculated enthalpy of reaction Th(SO4)2
-# Enthalpy of formation: -2542.12 kJ/mol
- -analytic -8.4525e+000 -3.5442e-002 0.0000e+000 0.0000e+000 -1.1540e+005
-# -Range: 0-200
-
-Th2S3
- Th2S3 +5.0000 H+ +0.5000 O2 = + 1.0000 H2O + 2.0000 Th++++ + 3.0000 HS-
- log_k 95.2290
- -delta_H -783.243 kJ/mol # Calculated enthalpy of reaction Th2S3
-# Enthalpy of formation: -1082.89 kJ/mol
- -analytic -3.2969e+002 -1.1090e-001 4.6877e+004 1.2152e+002 7.3157e+002
-# -Range: 0-300
-
-Th2Se3
- Th2Se3 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 2.0000 Th++++ + 3.0000 Se--
- log_k 59.1655
- -delta_H 0 # Not possible to calculate enthalpy of reaction Th2Se3
-# Enthalpy of formation: -224 kcal/mol
- -analytic -1.0083e+001 6.0240e-003 3.4039e+004 -1.8884e+001 5.7804e+002
-# -Range: 0-200
-
-Th7S12
- Th7S12 +16.0000 H+ +1.0000 O2 = + 2.0000 H2O + 7.0000 Th++++ + 12.0000 HS-
- log_k 204.0740
- -delta_H -1999.4 kJ/mol # Calculated enthalpy of reaction Th7S12
-# Enthalpy of formation: -4136.58 kJ/mol
- -analytic -2.1309e+002 -1.4149e-001 9.8550e+004 5.2042e+001 1.6736e+003
-# -Range: 0-200
-
-ThBr4
- ThBr4 = + 1.0000 Th++++ + 4.0000 Br-
- log_k 34.0803
- -delta_H -290.23 kJ/mol # Calculated enthalpy of reaction ThBr4
-# Enthalpy of formation: -964.803 kJ/mol
- -analytic 2.9902e+001 -3.3109e-002 1.0988e+004 -9.2209e+000 1.8657e+002
-# -Range: 0-200
-
-ThCl4
- ThCl4 = + 1.0000 Th++++ + 4.0000 Cl-
- log_k 23.8491
- -delta_H -251.094 kJ/mol # Calculated enthalpy of reaction ThCl4
-# Enthalpy of formation: -283.519 kcal/mol
- -analytic -5.9340e+000 -4.1640e-002 9.8623e+003 3.6804e+000 1.6748e+002
-# -Range: 0-200
-
-ThF4
- ThF4 = + 1.0000 Th++++ + 4.0000 F-
- log_k -29.9946
- -delta_H -12.6733 kJ/mol # Calculated enthalpy of reaction ThF4
-# Enthalpy of formation: -501.371 kcal/mol
- -analytic -4.2622e+002 -1.4222e-001 9.4201e+003 1.6446e+002 1.4712e+002
-# -Range: 0-300
-
-ThF4:2.5H2O
- ThF4:2.5H2O = + 1.0000 Th++++ + 2.5000 H2O + 4.0000 F-
- log_k -31.8568
- -delta_H 22.6696 kJ/mol # Calculated enthalpy of reaction ThF4:2.5H2O
-# Enthalpy of formation: -2847.68 kJ/mol
- -analytic -1.1284e+002 -4.5422e-002 -2.5781e+002 3.8547e+001 -4.3396e+000
-# -Range: 0-200
-
-ThI4
- ThI4 = + 1.0000 Th++++ + 4.0000 I-
- log_k 45.1997
- -delta_H -332.818 kJ/mol # Calculated enthalpy of reaction ThI4
-# Enthalpy of formation: -663.811 kJ/mol
- -analytic 1.4224e+000 -4.0379e-002 1.4193e+004 3.3137e+000 2.4102e+002
-# -Range: 0-200
-
-ThS
- ThS +3.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 HS- + 1.0000 Th++++
- log_k 96.0395
- -delta_H -669.906 kJ/mol # Calculated enthalpy of reaction ThS
-# Enthalpy of formation: -394.993 kJ/mol
- -analytic -1.3919e+001 -1.2372e-002 3.3883e+004 0.0000e+000 0.0000e+000
-# -Range: 0-200
-
-ThS2
- ThS2 +2.0000 H+ = + 1.0000 Th++++ + 2.0000 HS-
- log_k 10.7872
- -delta_H -175.369 kJ/mol # Calculated enthalpy of reaction ThS2
-# Enthalpy of formation: -625.867 kJ/mol
- -analytic -3.7691e+001 -2.3714e-002 8.4673e+003 1.0970e+001 1.4380e+002
-# -Range: 0-200
-
-Thenardite
- Na2SO4 = + 1.0000 SO4-- + 2.0000 Na+
- log_k -0.3091
- -delta_H -2.33394 kJ/mol # Calculated enthalpy of reaction Thenardite
-# Enthalpy of formation: -1387.87 kJ/mol
- -analytic -2.1202e+002 -7.1613e-002 5.1083e+003 8.7244e+001 7.9773e+001
-# -Range: 0-300
-
-Thermonatrite
- Na2CO3:H2O +1.0000 H+ = + 1.0000 H2O + 1.0000 HCO3- + 2.0000 Na+
- log_k 10.9623
- -delta_H -27.5869 kJ/mol # Calculated enthalpy of reaction Thermonatrite
-# Enthalpy of formation: -1428.78 kJ/mol
- -analytic -1.4030e+002 -3.5263e-002 5.7840e+003 5.7528e+001 9.0295e+001
-# -Range: 0-300
-
-Thorianite
- ThO2 +4.0000 H+ = + 1.0000 Th++++ + 2.0000 H2O
- log_k 1.8624
- -delta_H -114.296 kJ/mol # Calculated enthalpy of reaction Thorianite
-# Enthalpy of formation: -1226.4 kJ/mol
- -analytic -1.4249e+001 -2.4645e-003 4.3110e+003 -1.6605e-002 2.1598e+005
-# -Range: 0-300
-
-Ti
- Ti +2.0000 H2O +1.0000 O2 = + 1.0000 Ti(OH)4
- log_k 149.2978
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ti
-# Enthalpy of formation: 0 kJ/mol
-
-Ti2O3
- Ti2O3 +4.0000 H2O +0.5000 O2 = + 2.0000 Ti(OH)4
- log_k 42.9866
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ti2O3
-# Enthalpy of formation: -1520.78 kJ/mol
-
-Ti3O5
- Ti3O5 +6.0000 H2O +0.5000 O2 = + 3.0000 Ti(OH)4
- log_k 34.6557
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ti3O5
-# Enthalpy of formation: -2459.24 kJ/mol
-
-TiB2
- TiB2 +5.0000 H2O +2.5000 O2 = + 1.0000 Ti(OH)4 + 2.0000 B(OH)3
- log_k 312.4194
- -delta_H 0 # Not possible to calculate enthalpy of reaction TiB2
-# Enthalpy of formation: -323.883 kJ/mol
-
-TiBr3
- TiBr3 +3.5000 H2O +0.2500 O2 = + 1.0000 Ti(OH)4 + 3.0000 Br- + 3.0000 H+
- log_k 47.7190
- -delta_H 0 # Not possible to calculate enthalpy of reaction TiBr3
-# Enthalpy of formation: -548.378 kJ/mol
-
-TiBr4
- TiBr4 +4.0000 H2O = + 1.0000 Ti(OH)4 + 4.0000 Br- + 4.0000 H+
- log_k 32.9379
- -delta_H 0 # Not possible to calculate enthalpy of reaction TiBr4
-# Enthalpy of formation: -616.822 kJ/mol
-
-TiC
- TiC +3.0000 H2O +2.0000 O2 = + 1.0000 H+ + 1.0000 HCO3- + 1.0000 Ti(OH)4
- log_k 181.8139
- -delta_H 0 # Not possible to calculate enthalpy of reaction TiC
-# Enthalpy of formation: -184.346 kJ/mol
-
-TiCl2
- TiCl2 +3.0000 H2O +0.5000 O2 = + 1.0000 Ti(OH)4 + 2.0000 Cl- + 2.0000 H+
- log_k 70.9386
- -delta_H 0 # Not possible to calculate enthalpy of reaction TiCl2
-# Enthalpy of formation: -514.012 kJ/mol
-
-TiCl3
- TiCl3 +3.5000 H2O +0.2500 O2 = + 1.0000 Ti(OH)4 + 3.0000 Cl- + 3.0000 H+
- log_k 39.3099
- -delta_H 0 # Not possible to calculate enthalpy of reaction TiCl3
-# Enthalpy of formation: -720.775 kJ/mol
-
-TiF4(am)
- TiF4 +4.0000 H2O = + 1.0000 Ti(OH)4 + 4.0000 F- + 4.0000 H+
- log_k -12.4409
- -delta_H 0 # Not possible to calculate enthalpy of reaction TiF4(am)
-# Enthalpy of formation: -1649.44 kJ/mol
-
-TiI4
- TiI4 +4.0000 H2O = + 1.0000 Ti(OH)4 + 4.0000 H+ + 4.0000 I-
- log_k 34.5968
- -delta_H 0 # Not possible to calculate enthalpy of reaction TiI4
-# Enthalpy of formation: -375.555 kJ/mol
-
-TiN
- TiN +3.5000 H2O +0.2500 O2 = + 1.0000 NH3 + 1.0000 Ti(OH)4
- log_k 35.2344
- -delta_H 0 # Not possible to calculate enthalpy of reaction TiN
-# Enthalpy of formation: -338.304 kJ/mol
-
-TiO(alpha)
- TiO +2.0000 H2O +0.5000 O2 = + 1.0000 Ti(OH)4
- log_k 61.1282
- -delta_H 0 # Not possible to calculate enthalpy of reaction TiO(alpha)
-# Enthalpy of formation: -519.835 kJ/mol
-
-Tiemannite
- HgSe = + 1.0000 Hg++ + 1.0000 Se--
- log_k -58.2188
- -delta_H 0 # Not possible to calculate enthalpy of reaction Tiemannite
-# Enthalpy of formation: -10.4 kcal/mol
- -analytic -5.7618e+001 -1.3891e-002 -1.3223e+004 1.9351e+001 -2.0632e+002
-# -Range: 0-300
-
-Titanite
- CaTiSiO5 +2.0000 H+ +1.0000 H2O = + 1.0000 Ca++ + 1.0000 SiO2 + 1.0000 Ti(OH)4
- log_k 719.5839
- -delta_H 0 # Not possible to calculate enthalpy of reaction Titanite
-# Enthalpy of formation: 0 kcal/mol
-
-Tl
- Tl +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Tl+
- log_k 27.1743
- -delta_H -134.53 kJ/mol # Calculated enthalpy of reaction Tl
-# Enthalpy of formation: 0 kJ/mol
- -analytic -3.7066e+001 -7.8341e-003 9.4594e+003 1.4896e+001 -1.7904e+005
-# -Range: 0-300
-
-Tm
- Tm +3.0000 H+ +0.7500 O2 = + 1.0000 Tm+++ + 1.5000 H2O
- log_k 181.7102
- -delta_H -1124.66 kJ/mol # Calculated enthalpy of reaction Tm
-# Enthalpy of formation: 0 kJ/mol
- -analytic -6.7440e+001 -2.8476e-002 5.9332e+004 2.3715e+001 -5.9611e+003
-# -Range: 0-300
-
-Tm(OH)3
- Tm(OH)3 +3.0000 H+ = + 1.0000 Tm+++ + 3.0000 H2O
- log_k 14.9852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(OH)3
-# Enthalpy of formation: 0 kcal/mol
-
-Tm(OH)3(am)
- Tm(OH)3 +3.0000 H+ = + 1.0000 Tm+++ + 3.0000 H2O
- log_k 17.2852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(OH)3(am)
-# Enthalpy of formation: 0 kcal/mol
-
-Tm2(CO3)3
- Tm2(CO3)3 +3.0000 H+ = + 2.0000 Tm+++ + 3.0000 HCO3-
- log_k -2.4136
- -delta_H 0 # Not possible to calculate enthalpy of reaction Tm2(CO3)3
-# Enthalpy of formation: 0 kcal/mol
-
-Tm2O3
- Tm2O3 +6.0000 H+ = + 2.0000 Tm+++ + 3.0000 H2O
- log_k 44.7000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Tm2O3
-# Enthalpy of formation: 0 kcal/mol
-
-TmF3:.5H2O
- TmF3:.5H2O = + 0.5000 H2O + 1.0000 Tm+++ + 3.0000 F-
- log_k -16.2000
- -delta_H 0 # Not possible to calculate enthalpy of reaction TmF3:.5H2O
-# Enthalpy of formation: 0 kcal/mol
-
-TmPO4:10H2O
- TmPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Tm+++ + 10.0000 H2O
- log_k -11.8782
- -delta_H 0 # Not possible to calculate enthalpy of reaction TmPO4:10H2O
-# Enthalpy of formation: 0 kcal/mol
-
-Tobermorite-11A
- Ca5Si6H11O22.5 +10.0000 H+ = + 5.0000 Ca++ + 6.0000 SiO2 + 10.5000 H2O
- log_k 65.6121
- -delta_H -286.861 kJ/mol # Calculated enthalpy of reaction Tobermorite-11A
-# Enthalpy of formation: -2556.42 kcal/mol
- -analytic 7.9123e+001 3.9150e-002 2.9429e+004 -3.9191e+001 -2.4122e+006
-# -Range: 0-300
-
-Tobermorite-14A
- Ca5Si6H21O27.5 +10.0000 H+ = + 5.0000 Ca++ + 6.0000 SiO2 + 15.5000 H2O
- log_k 63.8445
- -delta_H -230.959 kJ/mol # Calculated enthalpy of reaction Tobermorite-14A
-# Enthalpy of formation: -2911.36 kcal/mol
- -analytic -2.0789e+002 5.2472e-003 3.9698e+004 6.7797e+001 -2.7532e+006
-# -Range: 0-300
-
-Tobermorite-9A
- Ca5Si6H6O20 +10.0000 H+ = + 5.0000 Ca++ + 6.0000 SiO2 + 8.0000 H2O
- log_k 69.0798
- -delta_H -329.557 kJ/mol # Calculated enthalpy of reaction Tobermorite-9A
-# Enthalpy of formation: -2375.42 kcal/mol
- -analytic -6.3384e+001 1.1722e-002 3.8954e+004 1.2268e+001 -2.8681e+006
-# -Range: 0-300
-
-Todorokite
- Mn7O12:3H2O +16.0000 H+ = + 1.0000 MnO4-- + 6.0000 Mn+++ + 11.0000 H2O
- log_k -45.8241
- -delta_H 0 # Not possible to calculate enthalpy of reaction Todorokite
-# Enthalpy of formation: 0 kcal/mol
-
-Torbernite
- Cu(UO2)2(PO4)2 +2.0000 H+ = + 1.0000 Cu++ + 2.0000 HPO4-- + 2.0000 UO2++
- log_k -20.3225
- -delta_H -97.4022 kJ/mol # Calculated enthalpy of reaction Torbernite
-# Enthalpy of formation: -1065.74 kcal/mol
- -analytic -6.7128e+001 -4.5878e-002 3.5071e+003 1.9682e+001 5.9579e+001
-# -Range: 0-200
-
-Tremolite
- Ca2Mg5Si8O22(OH)2 +14.0000 H+ = + 2.0000 Ca++ + 5.0000 Mg++ + 8.0000 H2O + 8.0000 SiO2
- log_k 61.2367
- -delta_H -406.404 kJ/mol # Calculated enthalpy of reaction Tremolite
-# Enthalpy of formation: -2944.04 kcal/mol
- -analytic 8.5291e+001 4.6337e-002 3.9465e+004 -5.4414e+001 -3.1913e+006
-# -Range: 0-300
-
-Trevorite
- NiFe2O4 +8.0000 H+ = + 1.0000 Ni++ + 2.0000 Fe+++ + 4.0000 H2O
- log_k 9.7876
- -delta_H -215.338 kJ/mol # Calculated enthalpy of reaction Trevorite
-# Enthalpy of formation: -1081.15 kJ/mol
- -analytic -1.4322e+002 -2.9429e-002 1.4518e+004 4.5698e+001 2.4658e+002
-# -Range: 0-200
-
-Tridymite
- SiO2 = + 1.0000 SiO2
- log_k -3.8278
- -delta_H 31.3664 kJ/mol # Calculated enthalpy of reaction Tridymite
-# Enthalpy of formation: -909.065 kJ/mol
- -analytic 3.1594e+002 6.9315e-002 -1.1358e+004 -1.2219e+002 -1.9299e+002
-# -Range: 0-200
-
-Troilite
- FeS +1.0000 H+ = + 1.0000 Fe++ + 1.0000 HS-
- log_k -3.8184
- -delta_H -7.3296 kJ/mol # Calculated enthalpy of reaction Troilite
-# Enthalpy of formation: -101.036 kJ/mol
- -analytic -1.6146e+002 -5.3170e-002 4.0461e+003 6.4620e+001 6.3183e+001
-# -Range: 0-300
-
-Trona-K
- K2NaH(CO3)2:2H2O +1.0000 H+ = + 1.0000 Na+ + 2.0000 H2O + 2.0000 HCO3- + 2.0000 K+
- log_k 11.5891
- -delta_H 0 # Not possible to calculate enthalpy of reaction Trona-K
-# Enthalpy of formation: 0 kcal/mol
-
-Tsumebite
- Pb2Cu(PO4)(OH)3:3H2O +4.0000 H+ = + 1.0000 Cu++ + 1.0000 HPO4-- + 2.0000 Pb++ + 6.0000 H2O
- log_k 2.5318
- -delta_H 0 # Not possible to calculate enthalpy of reaction Tsumebite
-# Enthalpy of formation: 0 kcal/mol
-
-Tyuyamunite
- Ca(UO2)2(VO4)2 = + 1.0000 Ca++ + 2.0000 UO2++ + 2.0000 VO4---
- log_k -53.3757
- -delta_H 0 # Not possible to calculate enthalpy of reaction Tyuyamunite
-# Enthalpy of formation: -1164.52 kcal/mol
-
-U
- U +2.0000 H+ +1.5000 O2 = + 1.0000 H2O + 1.0000 UO2++
- log_k 212.7800
- -delta_H -1286.64 kJ/mol # Calculated enthalpy of reaction U
-# Enthalpy of formation: 0 kJ/mol
- -analytic -2.4912e+002 -4.7104e-002 8.1115e+004 8.7008e+001 -1.0158e+006
-# -Range: 0-300
-
-U(CO3)2
- U(CO3)2 +2.0000 H+ = + 1.0000 U++++ + 2.0000 HCO3-
- log_k 7.5227
- -delta_H -170.691 kJ/mol # Calculated enthalpy of reaction U(CO3)2
-# Enthalpy of formation: -1800.38 kJ/mol
- -analytic -8.5952e+001 -2.5086e-002 1.0177e+004 2.7002e+001 1.7285e+002
-# -Range: 0-200
-
-U(HPO4)2:4H2O
- U(HPO4)2:4H2O = + 1.0000 U++++ + 2.0000 HPO4-- + 4.0000 H2O
- log_k -32.8650
- -delta_H 16.1008 kJ/mol # Calculated enthalpy of reaction U(HPO4)2:4H2O
-# Enthalpy of formation: -4334.82 kJ/mol
- -analytic -3.8694e+002 -1.3874e-001 6.4882e+003 1.5099e+002 1.0136e+002
-# -Range: 0-300
-
-U(OH)2SO4
- U(OH)2SO4 +2.0000 H+ = + 1.0000 SO4-- + 1.0000 U++++ + 2.0000 H2O
- log_k -3.0731
- -delta_H 0 # Not possible to calculate enthalpy of reaction U(OH)2SO4
-# Enthalpy of formation: 0 kcal/mol
-
-U(SO3)2
- U(SO3)2 = + 1.0000 U++++ + 2.0000 SO3--
- log_k -36.7499
- -delta_H 20.7008 kJ/mol # Calculated enthalpy of reaction U(SO3)2
-# Enthalpy of formation: -1883 kJ/mol
- -analytic 5.8113e+001 -2.9981e-002 -7.0503e+003 -2.5175e+001 -1.1974e+002
-# -Range: 0-200
-
-U(SO4)2
- U(SO4)2 = + 1.0000 U++++ + 2.0000 SO4--
- log_k -11.5178
- -delta_H -100.803 kJ/mol # Calculated enthalpy of reaction U(SO4)2
-# Enthalpy of formation: -2309.6 kJ/mol
- -analytic 3.2215e+001 -2.8662e-002 7.1066e+002 -1.5190e+001 1.2057e+001
-# -Range: 0-200
-
-U(SO4)2:4H2O
- U(SO4)2:4H2O = + 1.0000 U++++ + 2.0000 SO4-- + 4.0000 H2O
- log_k -11.5287
- -delta_H -70.5565 kJ/mol # Calculated enthalpy of reaction U(SO4)2:4H2O
-# Enthalpy of formation: -3483.2 kJ/mol
- -analytic -6.9548e+001 -2.9094e-002 3.8763e+003 2.1692e+001 6.5849e+001
-# -Range: 0-200
-
-U(SO4)2:8H2O
- U(SO4)2:8H2O = + 1.0000 U++++ + 2.0000 SO4-- + 8.0000 H2O
- log_k -12.5558
- -delta_H -34.5098 kJ/mol # Calculated enthalpy of reaction U(SO4)2:8H2O
-# Enthalpy of formation: -4662.6 kJ/mol
- -analytic -1.7141e+002 -2.9548e-002 6.7423e+003 5.8614e+001 1.1455e+002
-# -Range: 0-200
-
-U2C3
- U2C3 +4.5000 O2 +3.0000 H+ = + 2.0000 U+++ + 3.0000 HCO3-
- log_k 455.3078
- -delta_H -2810.1 kJ/mol # Calculated enthalpy of reaction U2C3
-# Enthalpy of formation: -183.3 kJ/mol
- -analytic -3.8340e+002 -1.5374e-001 1.5922e+005 1.4643e+002 -1.0584e+006
-# -Range: 0-300
-
-U2F9
- U2F9 +2.0000 H2O = + 1.0000 U++++ + 1.0000 UO2+ + 4.0000 H+ + 9.0000 F-
- log_k -45.5022
- -delta_H -46.8557 kJ/mol # Calculated enthalpy of reaction U2F9
-# Enthalpy of formation: -4015.92 kJ/mol
- -analytic -8.8191e+002 -3.0477e-001 2.0493e+004 3.4690e+002 3.2003e+002
-# -Range: 0-300
-
-U2O2Cl5
- U2O2Cl5 = + 1.0000 U++++ + 1.0000 UO2+ + 5.0000 Cl-
- log_k 19.2752
- -delta_H -254.325 kJ/mol # Calculated enthalpy of reaction U2O2Cl5
-# Enthalpy of formation: -2197.4 kJ/mol
- -analytic -4.3945e+002 -1.6239e-001 2.1694e+004 1.7551e+002 3.3865e+002
-# -Range: 0-300
-
-U2O3F6
- U2O3F6 +1.0000 H2O = + 2.0000 H+ + 2.0000 UO2++ + 6.0000 F-
- log_k -2.5066
- -delta_H -185.047 kJ/mol # Calculated enthalpy of reaction U2O3F6
-# Enthalpy of formation: -3579.2 kJ/mol
- -analytic -3.2332e+001 -5.9519e-002 5.7857e+003 1.1372e+001 9.8260e+001
-# -Range: 0-200
-
-U2S3
- U2S3 +3.0000 H+ = + 2.0000 U+++ + 3.0000 HS-
- log_k 6.5279
- -delta_H -147.525 kJ/mol # Calculated enthalpy of reaction U2S3
-# Enthalpy of formation: -879 kJ/mol
- -analytic -3.0494e+002 -1.0983e-001 1.3647e+004 1.2059e+002 2.1304e+002
-# -Range: 0-300
-
-U2Se3
- U2Se3 +4.5000 O2 = + 2.0000 U+++ + 3.0000 SeO3--
- log_k 248.0372
- -delta_H -1740.18 kJ/mol # Calculated enthalpy of reaction U2Se3
-# Enthalpy of formation: -711 kJ/mol
- -analytic 4.9999e+002 -1.6488e-002 6.4991e+004 -1.8795e+002 1.1035e+003
-# -Range: 0-200
-
-U3As4
- U3As4 +5.2500 O2 +5.0000 H+ +1.5000 H2O = + 3.0000 U+++ + 4.0000 H2AsO3-
- log_k 487.6802
- -delta_H -3114.02 kJ/mol # Calculated enthalpy of reaction U3As4
-# Enthalpy of formation: -720 kJ/mol
- -analytic -9.0215e+002 -2.5804e-001 1.9974e+005 3.3331e+002 -2.4911e+006
-# -Range: 0-300
-
-U3O5F8
- U3O5F8 +1.0000 H2O = + 2.0000 H+ + 3.0000 UO2++ + 8.0000 F-
- log_k -2.7436
- -delta_H -260.992 kJ/mol # Calculated enthalpy of reaction U3O5F8
-# Enthalpy of formation: -5192.95 kJ/mol
- -analytic -7.7653e+002 -2.7294e-001 2.9180e+004 3.0599e+002 4.5556e+002
-# -Range: 0-300
-
-U3P4
- U3P4 +7.2500 O2 +1.5000 H2O +1.0000 H+ = + 3.0000 U+++ + 4.0000 HPO4--
- log_k 827.5586
- -delta_H -5275.9 kJ/mol # Calculated enthalpy of reaction U3P4
-# Enthalpy of formation: -843 kJ/mol
- -analytic -2.7243e+003 -6.2927e-001 4.0130e+005 1.0021e+003 -7.6720e+006
-# -Range: 0-300
-
-U3S5
- U3S5 +5.0000 H+ = + 1.0000 U++++ + 2.0000 U+++ + 5.0000 HS-
- log_k -0.3680
- -delta_H -218.942 kJ/mol # Calculated enthalpy of reaction U3S5
-# Enthalpy of formation: -1431 kJ/mol
- -analytic -1.1011e+002 -6.7959e-002 1.0369e+004 3.8481e+001 1.7611e+002
-# -Range: 0-200
-
-U3Sb4
- U3Sb4 +9.0000 H+ +5.2500 O2 +1.5000 H2O = + 3.0000 U+++ + 4.0000 Sb(OH)3
- log_k 575.0349
- -delta_H -3618.1 kJ/mol # Calculated enthalpy of reaction U3Sb4
-# Enthalpy of formation: -451.9 kJ/mol
-
-U3Se4
- U3Se4 +6.2500 O2 +1.0000 H+ = + 0.5000 H2O + 3.0000 U+++ + 4.0000 SeO3--
- log_k 375.2823
- -delta_H -2588.16 kJ/mol # Calculated enthalpy of reaction U3Se4
-# Enthalpy of formation: -983 kJ/mol
- -analytic 6.7219e+002 -2.2708e-002 1.0025e+005 -2.5317e+002 1.7021e+003
-# -Range: 0-200
-
-U3Se5
- U3Se5 +7.2500 O2 +0.5000 H2O = + 1.0000 H+ + 3.0000 U+++ + 5.0000 SeO3--
- log_k 376.5747
- -delta_H -2652.38 kJ/mol # Calculated enthalpy of reaction U3Se5
-# Enthalpy of formation: -1130 kJ/mol
- -analytic 8.3306e+002 -2.6526e-002 9.5737e+004 -3.1109e+002 1.6255e+003
-# -Range: 0-200
-
-U4F17
- U4F17 +2.0000 H2O = + 1.0000 UO2+ + 3.0000 U++++ + 4.0000 H+ + 17.0000 F-
- log_k -104.7657
- -delta_H -78.2955 kJ/mol # Calculated enthalpy of reaction U4F17
-# Enthalpy of formation: -7849.66 kJ/mol
- -analytic -1.7466e+003 -5.9186e-001 4.0017e+004 6.8046e+002 6.2494e+002
-# -Range: 0-300
-
-U5O12Cl
- U5O12Cl +4.0000 H+ = + 1.0000 Cl- + 2.0000 H2O + 5.0000 UO2+
- log_k -18.7797
- -delta_H -9.99133 kJ/mol # Calculated enthalpy of reaction U5O12Cl
-# Enthalpy of formation: -5854.4 kJ/mol
- -analytic -7.3802e+001 2.9180e-002 4.6804e+003 1.2371e+001 7.9503e+001
-# -Range: 0-200
-
-UAs
- UAs +2.0000 H+ +1.5000 O2 = + 1.0000 H2AsO3- + 1.0000 U+++
- log_k 149.0053
- -delta_H -951.394 kJ/mol # Calculated enthalpy of reaction UAs
-# Enthalpy of formation: -234.3 kJ/mol
- -analytic -5.0217e+001 -4.2992e-002 4.8480e+004 1.9964e+001 7.5650e+002
-# -Range: 0-300
-
-UAs2
- UAs2 +2.2500 O2 +1.5000 H2O +1.0000 H+ = + 1.0000 U+++ + 2.0000 H2AsO3-
- log_k 189.1058
- -delta_H -1210.63 kJ/mol # Calculated enthalpy of reaction UAs2
-# Enthalpy of formation: -252 kJ/mol
- -analytic -8.7361e+001 -7.5252e-002 6.1445e+004 3.7485e+001 9.5881e+002
-# -Range: 0-300
-
-UBr2Cl
- UBr2Cl = + 1.0000 Cl- + 1.0000 U+++ + 2.0000 Br-
- log_k 17.7796
- -delta_H -148.586 kJ/mol # Calculated enthalpy of reaction UBr2Cl
-# Enthalpy of formation: -750.6 kJ/mol
- -analytic 3.0364e+000 -3.2187e-002 5.2314e+003 2.7418e+000 8.8836e+001
-# -Range: 0-200
-
-UBr2Cl2
- UBr2Cl2 = + 1.0000 U++++ + 2.0000 Br- + 2.0000 Cl-
- log_k 26.2185
- -delta_H -260.466 kJ/mol # Calculated enthalpy of reaction UBr2Cl2
-# Enthalpy of formation: -907.9 kJ/mol
- -analytic 3.8089e+000 -3.8781e-002 1.0125e+004 0.0000e+000 0.0000e+000
-# -Range: 0-200
-
-UBr3
- UBr3 = + 1.0000 U+++ + 3.0000 Br-
- log_k 20.2249
- -delta_H -154.91 kJ/mol # Calculated enthalpy of reaction UBr3
-# Enthalpy of formation: -698.7 kJ/mol
- -analytic -2.4366e+002 -9.8651e-002 1.2538e+004 1.0151e+002 1.9572e+002
-# -Range: 0-300
-
-UBr3Cl
- UBr3Cl = + 1.0000 Cl- + 1.0000 U++++ + 3.0000 Br-
- log_k 29.1178
- -delta_H -270.49 kJ/mol # Calculated enthalpy of reaction UBr3Cl
-# Enthalpy of formation: -852.3 kJ/mol
- -analytic 1.1204e+001 -3.7109e-002 1.0473e+004 -2.4905e+000 1.7784e+002
-# -Range: 0-200
-
-UBr4
- UBr4 = + 1.0000 U++++ + 4.0000 Br-
- log_k 31.2904
- -delta_H -275.113 kJ/mol # Calculated enthalpy of reaction UBr4
-# Enthalpy of formation: -802.1 kJ/mol
- -analytic -3.3800e+002 -1.2940e-001 2.0674e+004 1.3678e+002 3.2270e+002
-# -Range: 0-300
-
-UBr5
- UBr5 +2.0000 H2O = + 1.0000 UO2+ + 4.0000 H+ + 5.0000 Br-
- log_k 41.6312
- -delta_H -250.567 kJ/mol # Calculated enthalpy of reaction UBr5
-# Enthalpy of formation: -810.4 kJ/mol
- -analytic -3.2773e+002 -1.4356e-001 1.8709e+004 1.4117e+002 2.9204e+002
-# -Range: 0-300
-
-UBrCl2
- UBrCl2 = + 1.0000 Br- + 1.0000 U+++ + 2.0000 Cl-
- log_k 14.5048
- -delta_H -132.663 kJ/mol # Calculated enthalpy of reaction UBrCl2
-# Enthalpy of formation: -812.1 kJ/mol
- -analytic -5.3713e+000 -3.4256e-002 4.6251e+003 5.8875e+000 7.8542e+001
-# -Range: 0-200
-
-UBrCl3
- UBrCl3 = + 1.0000 Br- + 1.0000 U++++ + 3.0000 Cl-
- log_k 23.5258
- -delta_H -246.642 kJ/mol # Calculated enthalpy of reaction UBrCl3
-# Enthalpy of formation: -967.3 kJ/mol
- -analytic -5.6867e+000 -4.1166e-002 9.6664e+003 3.6579e+000 1.6415e+002
-# -Range: 0-200
-
-UC
- UC +2.0000 H+ +1.7500 O2 = + 0.5000 H2O + 1.0000 HCO3- + 1.0000 U+++
- log_k 194.8241
- -delta_H -1202.82 kJ/mol # Calculated enthalpy of reaction UC
-# Enthalpy of formation: -97.9 kJ/mol
- -analytic -4.6329e+001 -4.4600e-002 6.1417e+004 1.9566e+001 9.5836e+002
-# -Range: 0-300
-
-UC1.94(alpha)
- UC1.94 +2.6900 O2 +1.0600 H+ +0.4400 H2O = + 1.0000 U+++ + 1.9400 HCO3-
- log_k 257.1619
- -delta_H -1583.84 kJ/mol # Calculated enthalpy of reaction UC1.94(alpha)
-# Enthalpy of formation: -85.324 kJ/mol
- -analytic -5.8194e+002 -1.4610e-001 1.0917e+005 2.1638e+002 -1.6852e+006
-# -Range: 0-300
-
-UCl2F2
- UCl2F2 = + 1.0000 U++++ + 2.0000 Cl- + 2.0000 F-
- log_k -3.5085
- -delta_H -130.055 kJ/mol # Calculated enthalpy of reaction UCl2F2
-# Enthalpy of formation: -1466 kJ/mol
- -analytic -3.9662e+002 -1.3879e-001 1.4710e+004 1.5562e+002 2.2965e+002
-# -Range: 0-300
-
-UCl2I2
- UCl2I2 = + 1.0000 U++++ + 2.0000 Cl- + 2.0000 I-
- log_k 30.2962
- -delta_H -270.364 kJ/mol # Calculated enthalpy of reaction UCl2I2
-# Enthalpy of formation: -768.8 kJ/mol
- -analytic -1.2922e+001 -4.3178e-002 1.1219e+004 7.4562e+000 1.9052e+002
-# -Range: 0-200
-
-UCl3
- UCl3 = + 1.0000 U+++ + 3.0000 Cl-
- log_k 13.0062
- -delta_H -126.639 kJ/mol # Calculated enthalpy of reaction UCl3
-# Enthalpy of formation: -863.7 kJ/mol
- -analytic -2.6388e+002 -1.0241e-001 1.1629e+004 1.0846e+002 1.8155e+002
-# -Range: 0-300
-
-UCl3F
- UCl3F = + 1.0000 F- + 1.0000 U++++ + 3.0000 Cl-
- log_k 10.3200
- -delta_H -184.787 kJ/mol # Calculated enthalpy of reaction UCl3F
-# Enthalpy of formation: -1243 kJ/mol
- -analytic -3.7971e+002 -1.3681e-001 1.7127e+004 1.5086e+002 2.6736e+002
-# -Range: 0-300
-
-UCl3I
- UCl3I = + 1.0000 I- + 1.0000 U++++ + 3.0000 Cl-
- log_k 25.5388
- -delta_H -251.041 kJ/mol # Calculated enthalpy of reaction UCl3I
-# Enthalpy of formation: -898.3 kJ/mol
- -analytic -1.3362e+001 -4.3214e-002 1.0167e+004 7.1426e+000 1.7265e+002
-# -Range: 0-200
-
-UCl4
- UCl4 = + 1.0000 U++++ + 4.0000 Cl-
- log_k 21.9769
- -delta_H -240.719 kJ/mol # Calculated enthalpy of reaction UCl4
-# Enthalpy of formation: -1018.8 kJ/mol
- -analytic -3.6881e+002 -1.3618e-001 1.9685e+004 1.4763e+002 3.0727e+002
-# -Range: 0-300
-
-UCl5
- UCl5 +2.0000 H2O = + 1.0000 UO2+ + 4.0000 H+ + 5.0000 Cl-
- log_k 37.3147
- -delta_H -249.849 kJ/mol # Calculated enthalpy of reaction UCl5
-# Enthalpy of formation: -1039 kJ/mol
- -analytic -3.6392e+002 -1.5133e-001 1.9617e+004 1.5376e+002 3.0622e+002
-# -Range: 0-300
-
-UCl6
- UCl6 +2.0000 H2O = + 1.0000 UO2++ + 4.0000 H+ + 6.0000 Cl-
- log_k 57.5888
- -delta_H -383.301 kJ/mol # Calculated enthalpy of reaction UCl6
-# Enthalpy of formation: -1066.5 kJ/mol
- -analytic -4.5589e+002 -1.9203e-001 2.8029e+004 1.9262e+002 4.3750e+002
-# -Range: 0-300
-
-UClF3
- UClF3 = + 1.0000 Cl- + 1.0000 U++++ + 3.0000 F-
- log_k -17.5122
- -delta_H -74.3225 kJ/mol # Calculated enthalpy of reaction UClF3
-# Enthalpy of formation: -1690 kJ/mol
- -analytic -4.1346e+002 -1.4077e-001 1.2237e+004 1.6036e+002 1.9107e+002
-# -Range: 0-300
-
-UClI3
- UClI3 = + 1.0000 Cl- + 1.0000 U++++ + 3.0000 I-
- log_k 35.2367
- -delta_H -285.187 kJ/mol # Calculated enthalpy of reaction UClI3
-# Enthalpy of formation: -643.8 kJ/mol
- -analytic -1.1799e+001 -4.3208e-002 1.2045e+004 7.8829e+000 2.0455e+002
-# -Range: 0-200
-
-UF3
- UF3 = + 1.0000 U+++ + 3.0000 F-
- log_k -19.4125
- -delta_H 6.2572 kJ/mol # Calculated enthalpy of reaction UF3
-# Enthalpy of formation: -1501.4 kJ/mol
- -analytic -3.1530e+002 -1.0945e-001 6.1335e+003 1.2443e+002 9.5799e+001
-# -Range: 0-300
-
-UF4
- UF4 = + 1.0000 U++++ + 4.0000 F-
- log_k -29.2004
- -delta_H -18.3904 kJ/mol # Calculated enthalpy of reaction UF4
-# Enthalpy of formation: -1914.2 kJ/mol
- -analytic -4.2411e+002 -1.4147e-001 9.6621e+003 1.6352e+002 1.5089e+002
-# -Range: 0-300
-
-UF4:2.5H2O
- UF4:2.5H2O = + 1.0000 U++++ + 2.5000 H2O + 4.0000 F-
- log_k -33.3685
- -delta_H 24.2888 kJ/mol # Calculated enthalpy of reaction UF4:2.5H2O
-# Enthalpy of formation: -2671.47 kJ/mol
- -analytic -4.4218e+002 -1.4305e-001 8.2922e+003 1.7118e+002 1.2952e+002
-# -Range: 0-300
-
-UF5(alpha)
- UF5 +2.0000 H2O = + 1.0000 UO2+ + 4.0000 H+ + 5.0000 F-
- log_k -12.8376
- -delta_H -54.8883 kJ/mol # Calculated enthalpy of reaction UF5(alpha)
-# Enthalpy of formation: -2075.3 kJ/mol
- -analytic -4.5126e+002 -1.6121e-001 1.1997e+004 1.8030e+002 1.8733e+002
-# -Range: 0-300
-
-UF5(beta)
- UF5 +2.0000 H2O = + 1.0000 UO2+ + 4.0000 H+ + 5.0000 F-
- log_k -13.1718
- -delta_H -46.9883 kJ/mol # Calculated enthalpy of reaction UF5(beta)
-# Enthalpy of formation: -2083.2 kJ/mol
- -analytic -4.5020e+002 -1.6121e-001 1.1584e+004 1.8030e+002 1.8089e+002
-# -Range: 0-300
-
-UF6
- UF6 +2.0000 H2O = + 1.0000 UO2++ + 4.0000 H+ + 6.0000 F-
- log_k 17.4292
- -delta_H -261.709 kJ/mol # Calculated enthalpy of reaction UF6
-# Enthalpy of formation: -2197.7 kJ/mol
- -analytic -5.8427e+002 -2.1223e-001 2.5296e+004 2.3440e+002 3.9489e+002
-# -Range: 0-300
-
-UH3(beta)
- UH3 +3.0000 H+ +1.5000 O2 = + 1.0000 U+++ + 3.0000 H2O
- log_k 199.7683
- -delta_H -1201.43 kJ/mol # Calculated enthalpy of reaction UH3(beta)
-# Enthalpy of formation: -126.98 kJ/mol
- -analytic 5.2870e+001 4.2151e-003 6.0167e+004 -2.2701e+001 1.0217e+003
-# -Range: 0-200
-
-UI3
- UI3 = + 1.0000 U+++ + 3.0000 I-
- log_k 29.0157
- -delta_H -192.407 kJ/mol # Calculated enthalpy of reaction UI3
-# Enthalpy of formation: -467.4 kJ/mol
- -analytic -2.4505e+002 -9.9867e-002 1.4579e+004 1.0301e+002 2.2757e+002
-# -Range: 0-300
-
-UI4
- UI4 = + 1.0000 U++++ + 4.0000 I-
- log_k 39.3102
- -delta_H -300.01 kJ/mol # Calculated enthalpy of reaction UI4
-# Enthalpy of formation: -518.8 kJ/mol
- -analytic -3.4618e+002 -1.3227e-001 2.2320e+004 1.4145e+002 3.4839e+002
-# -Range: 0-300
-
-UN
- UN +3.0000 H+ = + 1.0000 NH3 + 1.0000 U+++
- log_k 41.7130
- -delta_H -280.437 kJ/mol # Calculated enthalpy of reaction UN
-# Enthalpy of formation: -290 kJ/mol
- -analytic -1.6393e+002 -1.1679e-003 2.8845e+003 6.5637e+001 3.0122e+006
-# -Range: 0-300
-
-UN1.59(alpha)
- UN1.59 +1.8850 H2O +1.0000 H+ +0.0575 O2 = + 1.0000 UO2+ + 1.5900 NH3
- log_k 38.3930
- -delta_H -235.75 kJ/mol # Calculated enthalpy of reaction UN1.59(alpha)
-# Enthalpy of formation: -379.2 kJ/mol
- -analytic 1.8304e+001 1.1109e-002 1.2064e+004 -9.5741e+000 2.0485e+002
-# -Range: 0-200
-
-UN1.73(alpha)
- UN1.73 +2.0950 H2O +1.0000 H+ = + 0.0475 O2 + 1.0000 UO2+ + 1.7300 NH3
- log_k 27.2932
- -delta_H -169.085 kJ/mol # Calculated enthalpy of reaction UN1.73(alpha)
-# Enthalpy of formation: -398.5 kJ/mol
- -analytic 1.0012e+001 1.0398e-002 8.9348e+003 -6.3817e+000 1.5172e+002
-# -Range: 0-200
-
-UO2(AsO3)2
- UO2(AsO3)2 +2.0000 H2O = + 1.0000 UO2++ + 2.0000 H2AsO4-
- log_k 6.9377
- -delta_H -109.843 kJ/mol # Calculated enthalpy of reaction UO2(AsO3)2
-# Enthalpy of formation: -2156.6 kJ/mol
- -analytic -1.6050e+002 -6.6472e-002 8.2129e+003 6.4533e+001 1.2820e+002
-# -Range: 0-300
-
-UO2(IO3)2
- UO2(IO3)2 = + 1.0000 UO2++ + 2.0000 IO3-
- log_k -7.2871
- -delta_H -0.3862 kJ/mol # Calculated enthalpy of reaction UO2(IO3)2
-# Enthalpy of formation: -1461.28 kJ/mol
- -analytic -2.7047e+001 -1.4267e-002 -1.5055e+001 9.7226e+000 -2.4640e-001
-# -Range: 0-200
-
-UO2(NO3)2
- UO2(NO3)2 = + 1.0000 UO2++ + 2.0000 NO3-
- log_k 11.9598
- -delta_H -81.6219 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2
-# Enthalpy of formation: -1351 kJ/mol
- -analytic -1.2216e+001 -1.1261e-002 3.9895e+003 5.7166e+000 6.7751e+001
-# -Range: 0-200
-
-UO2(NO3)2:2H2O
- UO2(NO3)2:2H2O = + 1.0000 UO2++ + 2.0000 H2O + 2.0000 NO3-
- log_k 4.9446
- -delta_H -25.5995 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2:2H2O
-# Enthalpy of formation: -1978.7 kJ/mol
- -analytic -1.3989e+002 -5.2130e-002 4.3758e+003 5.8868e+001 6.8322e+001
-# -Range: 0-300
-
-UO2(NO3)2:3H2O
- UO2(NO3)2:3H2O = + 1.0000 UO2++ + 2.0000 NO3- + 3.0000 H2O
- log_k 3.7161
- -delta_H -9.73686 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2:3H2O
-# Enthalpy of formation: -2280.4 kJ/mol
- -analytic -1.5037e+002 -5.2234e-002 4.0783e+003 6.3024e+001 6.3682e+001
-# -Range: 0-300
-
-UO2(NO3)2:6H2O
- UO2(NO3)2:6H2O = + 1.0000 UO2++ + 2.0000 NO3- + 6.0000 H2O
- log_k 2.3189
- -delta_H 19.8482 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2:6H2O
-# Enthalpy of formation: -3167.5 kJ/mol
- -analytic -1.4019e+002 -4.3682e-002 2.7842e+003 5.9070e+001 4.3486e+001
-# -Range: 0-300
-
-UO2(NO3)2:H2O
- UO2(NO3)2:H2O = + 1.0000 H2O + 1.0000 UO2++ + 2.0000 NO3-
- log_k 8.5103
- -delta_H -54.4602 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2:H2O
-# Enthalpy of formation: -1664 kJ/mol
- -analytic -3.7575e+001 -1.1342e-002 3.7548e+003 1.4899e+001 6.3776e+001
-# -Range: 0-200
-
-UO2(OH)2(beta)
- UO2(OH)2 +2.0000 H+ = + 1.0000 UO2++ + 2.0000 H2O
- log_k 4.9457
- -delta_H -56.8767 kJ/mol # Calculated enthalpy of reaction UO2(OH)2(beta)
-# Enthalpy of formation: -1533.8 kJ/mol
- -analytic -1.7478e+001 -1.6806e-003 3.4226e+003 4.6260e+000 5.3412e+001
-# -Range: 0-300
-
-UO2(PO3)2
- UO2(PO3)2 +2.0000 H2O = + 1.0000 UO2++ + 2.0000 H+ + 2.0000 HPO4--
- log_k -16.2805
- -delta_H -58.4873 kJ/mol # Calculated enthalpy of reaction UO2(PO3)2
-# Enthalpy of formation: -2973 kJ/mol
- -analytic -3.2995e+002 -1.3747e-001 8.0652e+003 1.3237e+002 1.2595e+002
-# -Range: 0-300
-
-UO2(am)
- UO2 +4.0000 H+ = + 1.0000 U++++ + 2.0000 H2O
- log_k 0.1091
- -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(am)
-# Enthalpy of formation: 0 kcal/mol
-
-UO2.25
- UO2.25 +2.5000 H+ = + 0.5000 U++++ + 0.5000 UO2+ + 1.2500 H2O
- log_k -4.8193
- -delta_H -37.1614 kJ/mol # Calculated enthalpy of reaction UO2.25
-# Enthalpy of formation: -1128.3 kJ/mol
- -analytic -1.9073e+002 -4.1793e-002 7.3391e+003 7.0213e+001 1.1457e+002
-# -Range: 0-300
-
-UO2.25(beta)
- UO2.25 +2.5000 H+ = + 0.5000 U++++ + 0.5000 UO2+ + 1.2500 H2O
- log_k -4.7593
- -delta_H -38.0614 kJ/mol # Calculated enthalpy of reaction UO2.25(beta)
-# Enthalpy of formation: -1127.4 kJ/mol
- -analytic -3.6654e+001 -2.4013e-003 2.9632e+003 9.1625e+000 4.6249e+001
-# -Range: 0-300
-
-UO2.3333(beta)
-# UO2.3333 +8.0000 H+ = + 0.3333 O2 + 2.0000 U++++ + 4.0000 H2O
- (UO2.3333)2 + 8.0000 H+ = 0.3333 O2 + 2.0000 U++++ + 4.0000 H2O
- log_k -27.7177
- -delta_H -1187.8 kJ/mol # Calculated enthalpy of reaction UO2.3333(beta)
-# Enthalpy of formation: -1142 kJ/mol
- -analytic -7.4790e+000 -6.8382e-004 -2.7277e+003 -7.2107e+000 6.1873e+005
-# -Range: 0-300
-
-UO2.6667
-# UO2.6667 +8.0000 H+ = + 0.6667 O2 + 2.0000 U++++ + 4.0000 H2O
- (UO2.6667)2 +8.0000 H+ = + 0.6667 O2 + 2.0000 U++++ + 4.0000 H2O
- log_k -43.6051
- -delta_H -1142.24 kJ/mol # Calculated enthalpy of reaction UO2.6667
-# Enthalpy of formation: -1191.6 kJ/mol
- -analytic 1.2095e+002 2.0118e-002 -1.4968e+004 -5.3552e+001 1.0813e+006
-# -Range: 0-300
-
-UO2Br2
- UO2Br2 = + 1.0000 UO2++ + 2.0000 Br-
- log_k 16.5103
- -delta_H -124.607 kJ/mol # Calculated enthalpy of reaction UO2Br2
-# Enthalpy of formation: -1137.4 kJ/mol
- -analytic -1.4876e+002 -6.2715e-002 9.0200e+003 6.2108e+001 1.4079e+002
-# -Range: 0-300
-
-UO2Br2:3H2O
- UO2Br2:3H2O = + 1.0000 UO2++ + 2.0000 Br- + 3.0000 H2O
- log_k 9.4113
- -delta_H -61.5217 kJ/mol # Calculated enthalpy of reaction UO2Br2:3H2O
-# Enthalpy of formation: -2058 kJ/mol
- -analytic -6.8507e+001 -1.6834e-002 5.1409e+003 2.6546e+001 8.7324e+001
-# -Range: 0-200
-
-UO2Br2:H2O
- UO2Br2:H2O = + 1.0000 H2O + 1.0000 UO2++ + 2.0000 Br-
- log_k 12.1233
- -delta_H -91.945 kJ/mol # Calculated enthalpy of reaction UO2Br2:H2O
-# Enthalpy of formation: -1455.9 kJ/mol
- -analytic -1.7519e+001 -1.6603e-002 4.3544e+003 8.0748e+000 7.3950e+001
-# -Range: 0-200
-
-UO2BrOH:2H2O
- UO2BrOH:2H2O +1.0000 H+ = + 1.0000 Br- + 1.0000 UO2++ + 3.0000 H2O
- log_k 4.2026
- -delta_H -39.8183 kJ/mol # Calculated enthalpy of reaction UO2BrOH:2H2O
-# Enthalpy of formation: -1958.2 kJ/mol
- -analytic -8.3411e+001 -1.0024e-002 5.0411e+003 2.9781e+001 8.5633e+001
-# -Range: 0-200
-
-UO2CO3
- UO2CO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 UO2++
- log_k -4.1267
- -delta_H -19.2872 kJ/mol # Calculated enthalpy of reaction UO2CO3
-# Enthalpy of formation: -1689.65 kJ/mol
- -analytic -4.4869e+001 -1.1541e-002 1.9475e+003 1.5215e+001 3.3086e+001
-# -Range: 0-200
-
-UO2Cl
- UO2Cl = + 1.0000 Cl- + 1.0000 UO2+
- log_k -0.5154
- -delta_H -21.1067 kJ/mol # Calculated enthalpy of reaction UO2Cl
-# Enthalpy of formation: -1171.1 kJ/mol
- -analytic -7.3291e+001 -2.5940e-002 2.5753e+003 2.9038e+001 4.0207e+001
-# -Range: 0-300
-
-UO2Cl2
- UO2Cl2 = + 1.0000 UO2++ + 2.0000 Cl-
- log_k 12.1394
- -delta_H -109.559 kJ/mol # Calculated enthalpy of reaction UO2Cl2
-# Enthalpy of formation: -1243.6 kJ/mol
- -analytic -1.6569e+002 -6.6249e-002 8.6920e+003 6.8055e+001 1.3568e+002
-# -Range: 0-300
-
-UO2Cl2:3H2O
- UO2Cl2:3H2O = + 1.0000 UO2++ + 2.0000 Cl- + 3.0000 H2O
- log_k 5.6163
- -delta_H -45.8743 kJ/mol # Calculated enthalpy of reaction UO2Cl2:3H2O
-# Enthalpy of formation: -2164.8 kJ/mol
- -analytic -8.4932e+001 -2.0867e-002 4.7594e+003 3.2654e+001 8.0850e+001
-# -Range: 0-200
-
-UO2Cl2:H2O
- UO2Cl2:H2O = + 1.0000 H2O + 1.0000 UO2++ + 2.0000 Cl-
- log_k 8.2880
- -delta_H -79.1977 kJ/mol # Calculated enthalpy of reaction UO2Cl2:H2O
-# Enthalpy of formation: -1559.8 kJ/mol
- -analytic -3.4458e+001 -2.0630e-002 4.1231e+003 1.4170e+001 7.0029e+001
-# -Range: 0-200
-
-UO2ClOH:2H2O
- UO2ClOH:2H2O +1.0000 H+ = + 1.0000 Cl- + 1.0000 UO2++ + 3.0000 H2O
- log_k 2.3064
- -delta_H -33.1947 kJ/mol # Calculated enthalpy of reaction UO2ClOH:2H2O
-# Enthalpy of formation: -2010.4 kJ/mol
- -analytic -9.1834e+001 -1.2041e-002 4.9131e+003 3.2835e+001 8.3462e+001
-# -Range: 0-200
-
-UO2F2
- UO2F2 = + 1.0000 UO2++ + 2.0000 F-
- log_k -7.2302
- -delta_H -36.1952 kJ/mol # Calculated enthalpy of reaction UO2F2
-# Enthalpy of formation: -1653.5 kJ/mol
- -analytic -2.0303e+002 -7.1028e-002 5.9356e+003 7.9627e+001 9.2679e+001
-# -Range: 0-300
-
-UO2F2:3H2O
- UO2F2:3H2O = + 1.0000 UO2++ + 2.0000 F- + 3.0000 H2O
- log_k -7.3692
- -delta_H -12.8202 kJ/mol # Calculated enthalpy of reaction UO2F2:3H2O
-# Enthalpy of formation: -2534.39 kJ/mol
- -analytic -1.0286e+002 -2.1223e-002 3.4855e+003 3.6420e+001 5.9224e+001
-# -Range: 0-200
-
-UO2FOH
- UO2FOH +1.0000 H+ = + 1.0000 F- + 1.0000 H2O + 1.0000 UO2++
- log_k -1.8426
- -delta_H -41.7099 kJ/mol # Calculated enthalpy of reaction UO2FOH
-# Enthalpy of formation: -1598.48 kJ/mol
- -analytic -4.9229e+001 -1.1984e-002 3.2086e+003 1.6244e+001 5.4503e+001
-# -Range: 0-200
-
-UO2FOH:2H2O
- UO2FOH:2H2O +1.0000 H+ = + 1.0000 F- + 1.0000 UO2++ + 3.0000 H2O
- log_k -2.6606
- -delta_H -21.8536 kJ/mol # Calculated enthalpy of reaction UO2FOH:2H2O
-# Enthalpy of formation: -2190.01 kJ/mol
- -analytic -1.0011e+002 -1.2203e-002 4.5446e+003 3.4690e+001 7.7208e+001
-# -Range: 0-200
-
-UO2FOH:H2O
- UO2FOH:H2O +1.0000 H+ = + 1.0000 F- + 1.0000 UO2++ + 2.0000 H2O
- log_k -2.2838
- -delta_H -31.5243 kJ/mol # Calculated enthalpy of reaction UO2FOH:H2O
-# Enthalpy of formation: -1894.5 kJ/mol
- -analytic -7.4628e+001 -1.2086e-002 3.8625e+003 2.5456e+001 6.5615e+001
-# -Range: 0-200
-
-UO2HPO4
- UO2HPO4 = + 1.0000 HPO4-- + 1.0000 UO2++
- log_k -12.6782
- -delta_H 0 # Not possible to calculate enthalpy of reaction UO2HPO4
-# Enthalpy of formation: 0 kcal/mol
-
-UO2HPO4:4H2O
- UO2HPO4:4H2O = + 1.0000 HPO4-- + 1.0000 UO2++ + 4.0000 H2O
- log_k -13.0231
- -delta_H 15.5327 kJ/mol # Calculated enthalpy of reaction UO2HPO4:4H2O
-# Enthalpy of formation: -3469.97 kJ/mol
- -analytic -1.1784e+002 -1.9418e-002 2.7547e+003 4.0963e+001 4.6818e+001
-# -Range: 0-200
-
-UO2SO3
- UO2SO3 = + 1.0000 SO3-- + 1.0000 UO2++
- log_k -15.9812
- -delta_H 6.4504 kJ/mol # Calculated enthalpy of reaction UO2SO3
-# Enthalpy of formation: -1661 kJ/mol
- -analytic 2.5751e+001 -1.3871e-002 -3.0305e+003 -1.1090e+001 -5.1470e+001
-# -Range: 0-200
-
-UO2SO4
- UO2SO4 = + 1.0000 SO4-- + 1.0000 UO2++
- log_k 1.9681
- -delta_H -83.4616 kJ/mol # Calculated enthalpy of reaction UO2SO4
-# Enthalpy of formation: -1845.14 kJ/mol
- -analytic -1.5677e+002 -6.5310e-002 6.7411e+003 6.2867e+001 1.0523e+002
-# -Range: 0-300
-
-UO2SO4:2.5H2O
- UO2SO4:2.5H2O = + 1.0000 SO4-- + 1.0000 UO2++ + 2.5000 H2O
- log_k -1.4912
- -delta_H -36.1984 kJ/mol # Calculated enthalpy of reaction UO2SO4:2.5H2O
-# Enthalpy of formation: -2607 kJ/mol
- -analytic -4.8908e+001 -1.3445e-002 2.8658e+003 1.6894e+001 4.8683e+001
-# -Range: 0-200
-
-UO2SO4:3.5H2O
- UO2SO4:3.5H2O = + 1.0000 SO4-- + 1.0000 UO2++ + 3.5000 H2O
- log_k -1.4805
- -delta_H -27.4367 kJ/mol # Calculated enthalpy of reaction UO2SO4:3.5H2O
-# Enthalpy of formation: -2901.6 kJ/mol
- -analytic -7.4180e+001 -1.3565e-002 3.5963e+003 2.6136e+001 6.1096e+001
-# -Range: 0-200
-
-UO2SO4:3H2O
- UO2SO4:3H2O = + 1.0000 SO4-- + 1.0000 UO2++ + 3.0000 H2O
- log_k -1.4028
- -delta_H -34.6176 kJ/mol # Calculated enthalpy of reaction UO2SO4:3H2O
-# Enthalpy of formation: -2751.5 kJ/mol
- -analytic -5.0134e+001 -1.0321e-002 3.0505e+003 1.6799e+001 5.1818e+001
-# -Range: 0-200
-
-UO2SO4:H2O
- UO2SO4:H2O = + 1.0000 H2O + 1.0000 SO4-- + 1.0000 UO2++
- log_k -6.0233
- -delta_H -39.1783 kJ/mol # Calculated enthalpy of reaction UO2SO4:H2O
-# Enthalpy of formation: -519.9 kcal/mol
- -analytic -1.8879e+002 -6.9827e-002 5.5636e+003 7.4717e+001 8.6870e+001
-# -Range: 0-300
-
-UO3(alpha)
- UO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 UO2++
- log_k 8.6391
- -delta_H -87.3383 kJ/mol # Calculated enthalpy of reaction UO3(alpha)
-# Enthalpy of formation: -1217.5 kJ/mol
- -analytic -1.4099e+001 -1.9063e-003 4.7742e+003 2.9478e+000 7.4501e+001
-# -Range: 0-300
-
-UO3(beta)
- UO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 UO2++
- log_k 8.3095
- -delta_H -84.5383 kJ/mol # Calculated enthalpy of reaction UO3(beta)
-# Enthalpy of formation: -1220.3 kJ/mol
- -analytic -1.2298e+001 -1.7800e-003 4.5621e+003 2.3593e+000 7.1191e+001
-# -Range: 0-300
-
-UO3(gamma)
- UO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 UO2++
- log_k 7.7073
- -delta_H -81.0383 kJ/mol # Calculated enthalpy of reaction UO3(gamma)
-# Enthalpy of formation: -1223.8 kJ/mol
- -analytic -1.1573e+001 -2.3560e-003 4.3124e+003 2.2305e+000 6.7294e+001
-# -Range: 0-300
-
-UO3:.9H2O(alpha)
- UO3:.9H2O +2.0000 H+ = + 1.0000 UO2++ + 1.9000 H2O
- log_k 5.0167
- -delta_H -55.7928 kJ/mol # Calculated enthalpy of reaction UO3:.9H2O(alpha)
-# Enthalpy of formation: -1506.3 kJ/mol
- -analytic -6.9286e+001 -3.0624e-003 5.5984e+003 2.2809e+001 9.5092e+001
-# -Range: 0-200
-
-UO3:2H2O
- UO3:2H2O +2.0000 H+ = + 1.0000 UO2++ + 3.0000 H2O
- log_k 4.8333
- -delta_H -50.415 kJ/mol # Calculated enthalpy of reaction UO3:2H2O
-# Enthalpy of formation: -1826.1 kJ/mol
- -analytic -5.9530e+001 -9.8107e-003 4.4975e+003 2.1098e+001 7.0196e+001
-# -Range: 0-300
-
-UOBr2
- UOBr2 +2.0000 H+ = + 1.0000 H2O + 1.0000 U++++ + 2.0000 Br-
- log_k 7.9722
- -delta_H -146.445 kJ/mol # Calculated enthalpy of reaction UOBr2
-# Enthalpy of formation: -973.6 kJ/mol
- -analytic -2.0747e+002 -7.0500e-002 1.1746e+004 7.9629e+001 1.8334e+002
-# -Range: 0-300
-
-UOBr3
- UOBr3 +1.0000 H2O = + 1.0000 UO2+ + 2.0000 H+ + 3.0000 Br-
- log_k 23.5651
- -delta_H -149.799 kJ/mol # Calculated enthalpy of reaction UOBr3
-# Enthalpy of formation: -954 kJ/mol
- -analytic -2.0001e+002 -8.4632e-002 1.1381e+004 8.5102e+001 1.7765e+002
-# -Range: 0-300
-
-UOCl
- UOCl +2.0000 H+ = + 1.0000 Cl- + 1.0000 H2O + 1.0000 U+++
- log_k 10.3872
- -delta_H -108.118 kJ/mol # Calculated enthalpy of reaction UOCl
-# Enthalpy of formation: -833.9 kJ/mol
- -analytic -1.1989e+002 -4.0791e-002 8.0834e+003 4.6600e+001 1.2617e+002
-# -Range: 0-300
-
-UOCl2
- UOCl2 +2.0000 H+ = + 1.0000 H2O + 1.0000 U++++ + 2.0000 Cl-
- log_k 5.4559
- -delta_H -141.898 kJ/mol # Calculated enthalpy of reaction UOCl2
-# Enthalpy of formation: -1069.3 kJ/mol
- -analytic -2.2096e+002 -7.3329e-002 1.1858e+004 8.4250e+001 1.8509e+002
-# -Range: 0-300
-
-UOCl3
- UOCl3 +1.0000 H2O = + 1.0000 UO2+ + 2.0000 H+ + 3.0000 Cl-
- log_k 12.6370
- -delta_H -100.528 kJ/mol # Calculated enthalpy of reaction UOCl3
-# Enthalpy of formation: -1140 kJ/mol
- -analytic -2.1934e+002 -8.8639e-002 9.3198e+003 9.1775e+001 1.4549e+002
-# -Range: 0-300
-
-UOF2
- UOF2 +2.0000 H+ = + 1.0000 H2O + 1.0000 U++++ + 2.0000 F-
- log_k -18.1473
- -delta_H -43.1335 kJ/mol # Calculated enthalpy of reaction UOF2
-# Enthalpy of formation: -1504.6 kJ/mol
- -analytic -6.9471e+001 -2.6188e-002 2.5576e+003 2.0428e+001 4.3454e+001
-# -Range: 0-200
-
-UOF2:H2O
- UOF2:H2O +2.0000 H+ = + 1.0000 U++++ + 2.0000 F- + 2.0000 H2O
- log_k -18.7019
- -delta_H -31.5719 kJ/mol # Calculated enthalpy of reaction UOF2:H2O
-# Enthalpy of formation: -1802 kJ/mol
- -analytic -9.5010e+001 -2.6355e-002 3.1474e+003 2.9746e+001 5.3480e+001
-# -Range: 0-200
-
-UOF4
- UOF4 +1.0000 H2O = + 1.0000 UO2++ + 2.0000 H+ + 4.0000 F-
- log_k 4.5737
- -delta_H -149.952 kJ/mol # Calculated enthalpy of reaction UOF4
-# Enthalpy of formation: -1924.6 kJ/mol
- -analytic -5.9731e+000 -3.8581e-002 4.6903e+003 2.5464e+000 7.9649e+001
-# -Range: 0-200
-
-UOFOH
- UOFOH +3.0000 H+ = + 1.0000 F- + 1.0000 U++++ + 2.0000 H2O
- log_k -8.9274
- -delta_H -71.5243 kJ/mol # Calculated enthalpy of reaction UOFOH
-# Enthalpy of formation: -1426.7 kJ/mol
- -analytic -9.2412e+001 -1.7293e-002 5.8150e+003 2.7940e+001 9.8779e+001
-# -Range: 0-200
-
-UOFOH:.5H2O
- UOFOH:.5H2O +1.0000 H+ +0.5000 O2 = + 1.0000 F- + 1.0000 UO2++ + 1.5000 H2O
- log_k 24.5669
- -delta_H -200.938 kJ/mol # Calculated enthalpy of reaction UOFOH:.5H2O
-# Enthalpy of formation: -1576.1 kJ/mol
- -analytic -1.1024e+001 -7.7180e-003 1.0019e+004 1.7305e+000 1.7014e+002
-# -Range: 0-200
-
-UP
- UP +2.0000 O2 +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 U+++
- log_k 233.4928
- -delta_H -1487.11 kJ/mol # Calculated enthalpy of reaction UP
-# Enthalpy of formation: -269.8 kJ/mol
- -analytic -2.1649e+002 -9.0873e-002 8.3804e+004 8.1649e+001 -5.4044e+005
-# -Range: 0-300
-
-UP2
- UP2 +3.2500 O2 +1.5000 H2O = + 1.0000 H+ + 1.0000 U+++ + 2.0000 HPO4--
- log_k 360.5796
- -delta_H -2301.07 kJ/mol # Calculated enthalpy of reaction UP2
-# Enthalpy of formation: -304 kJ/mol
- -analytic -2.4721e+002 -1.5005e-001 1.2243e+005 9.9521e+001 -3.9706e+005
-# -Range: 0-300
-
-UP2O7
- UP2O7 +1.0000 H2O = + 1.0000 U++++ + 2.0000 HPO4--
- log_k -32.9922
- -delta_H -37.5256 kJ/mol # Calculated enthalpy of reaction UP2O7
-# Enthalpy of formation: -2852 kJ/mol
- -analytic -3.5910e+002 -1.3819e-001 7.6509e+003 1.3804e+002 1.1949e+002
-# -Range: 0-300
-
-UP2O7:20H2O
- UP2O7:20H2O = + 1.0000 U++++ + 2.0000 HPO4-- + 19.0000 H2O
- log_k -28.6300
- -delta_H 0 # Not possible to calculate enthalpy of reaction UP2O7:20H2O
-# Enthalpy of formation: 0 kcal/mol
-
-UPO5
- UPO5 +1.0000 H2O = + 1.0000 H+ + 1.0000 HPO4-- + 1.0000 UO2+
- log_k -19.5754
- -delta_H 32.6294 kJ/mol # Calculated enthalpy of reaction UPO5
-# Enthalpy of formation: -2064 kJ/mol
- -analytic -1.5316e+002 -6.0911e-002 7.3255e+002 6.0317e+001 1.1476e+001
-# -Range: 0-300
-
-US
- US +2.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 HS- + 1.0000 U+++
- log_k 46.6547
- -delta_H -322.894 kJ/mol # Calculated enthalpy of reaction US
-# Enthalpy of formation: -322.2 kJ/mol
- -analytic -1.0845e+002 -4.0538e-002 1.8749e+004 4.2147e+001 2.9259e+002
-# -Range: 0-300
-
-US1.9
- US1.9 +1.9000 H+ = + 0.2000 U+++ + 0.8000 U++++ + 1.9000 HS-
- log_k -2.2816
- -delta_H -91.486 kJ/mol # Calculated enthalpy of reaction US1.9
-# Enthalpy of formation: -509.9 kJ/mol
- -analytic -2.0534e+002 -6.8390e-002 8.8888e+003 7.8243e+001 1.3876e+002
-# -Range: 0-300
-
-US2
- US2 +2.0000 H+ = + 1.0000 U++++ + 2.0000 HS-
- log_k -2.3324
- -delta_H -103.017 kJ/mol # Calculated enthalpy of reaction US2
-# Enthalpy of formation: -520.4 kJ/mol
- -analytic -2.1819e+002 -7.1522e-002 9.7782e+003 8.2586e+001 1.5264e+002
-# -Range: 0-300
-
-US3
- US3 +2.0000 H2O = + 1.0000 H+ + 1.0000 UO2++ + 3.0000 HS-
- log_k -16.6370
- -delta_H 43.9515 kJ/mol # Calculated enthalpy of reaction US3
-# Enthalpy of formation: -539.6 kJ/mol
- -analytic -2.3635e+002 -9.5877e-002 1.9170e+003 9.7726e+001 2.9982e+001
-# -Range: 0-300
-
-USb
- USb +3.0000 H+ +1.5000 O2 = + 1.0000 Sb(OH)3 + 1.0000 U+++
- log_k 176.0723
- -delta_H -1106.19 kJ/mol # Calculated enthalpy of reaction USb
-# Enthalpy of formation: -138.5 kJ/mol
-
-USb2
- USb2 +3.0000 H+ +2.2500 O2 +1.5000 H2O = + 1.0000 U+++ + 2.0000 Sb(OH)3
- log_k 223.1358
- -delta_H -1407.02 kJ/mol # Calculated enthalpy of reaction USb2
-# Enthalpy of formation: -173.6 kJ/mol
-
-Uranium-selenide
- 1.0USe +1.7500 O2 +1.0000 H+ = + 0.5000 H2O + 1.0000 SeO3-- + 1.0000 U+++
- log_k 125.6086
- -delta_H -844.278 kJ/mol # Calculated enthalpy of reaction Uranium-selenide
-# Enthalpy of formation: -275.7 kJ/mol
- -analytic -1.0853e+002 -7.6251e-002 4.3230e+004 4.5189e+001 6.7460e+002
-# -Range: 0-300
-
-USe2(alpha)
- USe2 +2.7500 O2 +0.5000 H2O = + 1.0000 H+ + 1.0000 U+++ + 2.0000 SeO3--
- log_k 125.4445
- -delta_H -904.199 kJ/mol # Calculated enthalpy of reaction USe2(alpha)
-# Enthalpy of formation: -427 kJ/mol
- -analytic -2.0454e+002 -1.4191e-001 4.6114e+004 8.7906e+001 7.1963e+002
-# -Range: 0-300
-
-USe2(beta)
- USe2 +2.7500 O2 +0.5000 H2O = + 1.0000 H+ + 1.0000 U+++ + 2.0000 SeO3--
- log_k 125.2868
- -delta_H -904.199 kJ/mol # Calculated enthalpy of reaction USe2(beta)
-# Enthalpy of formation: -427 kJ/mol
- -analytic -2.0334e+002 -1.4147e-001 4.6082e+004 8.7349e+001 7.1913e+002
-# -Range: 0-300
-
-USe3
- USe3 +3.7500 O2 +1.5000 H2O = + 1.0000 U+++ + 3.0000 H+ + 3.0000 SeO3--
- log_k 147.2214
- -delta_H -1090.42 kJ/mol # Calculated enthalpy of reaction USe3
-# Enthalpy of formation: -452 kJ/mol
- -analytic 4.9201e+002 -1.3720e-002 3.2168e+004 -1.8131e+002 5.4609e+002
-# -Range: 0-200
-
-Umangite
- Cu3Se2 = + 1.0000 Cu++ + 2.0000 Cu+ + 2.0000 Se--
- log_k -93.8412
- -delta_H 0 # Not possible to calculate enthalpy of reaction Umangite
-# Enthalpy of formation: -25 kcal/mol
- -analytic -7.2308e+001 -2.2566e-003 -2.0738e+004 1.9677e+001 -3.5214e+002
-# -Range: 0-200
-
-Uraninite
- UO2 +4.0000 H+ = + 1.0000 U++++ + 2.0000 H2O
- log_k -4.8372
- -delta_H -77.8767 kJ/mol # Calculated enthalpy of reaction Uraninite
-# Enthalpy of formation: -1085 kJ/mol
- -analytic -7.5776e+001 -1.0558e-002 5.9677e+003 2.1853e+001 9.3142e+001
-# -Range: 0-300
-
-Uranocircite
- Ba(UO2)2(PO4)2 +2.0000 H+ = + 1.0000 Ba++ + 2.0000 HPO4-- + 2.0000 UO2++
- log_k -19.8057
- -delta_H -72.3317 kJ/mol # Calculated enthalpy of reaction Uranocircite
-# Enthalpy of formation: -1215.94 kcal/mol
- -analytic -3.6843e+001 -4.3076e-002 1.2427e+003 1.0384e+001 2.1115e+001
-# -Range: 0-200
-
-Uranophane
- Ca(UO2)2(SiO3)2(OH)2 +6.0000 H+ = + 1.0000 Ca++ + 2.0000 SiO2 + 2.0000 UO2++ + 4.0000 H2O
- log_k 17.2850
- -delta_H 0 # Not possible to calculate enthalpy of reaction Uranophane
-# Enthalpy of formation: 0 kcal/mol
-
-V
- V +3.0000 H+ +0.7500 O2 = + 1.0000 V+++ + 1.5000 H2O
- log_k 106.9435
- -delta_H -680.697 kJ/mol # Calculated enthalpy of reaction V
-# Enthalpy of formation: 0 kJ/mol
- -analytic -1.0508e+002 -2.1334e-002 4.0364e+004 3.5012e+001 -3.2290e+005
-# -Range: 0-300
-
-V2O4
- V2O4 +4.0000 H+ = + 2.0000 H2O + 2.0000 VO++
- log_k 8.5719
- -delta_H -117.564 kJ/mol # Calculated enthalpy of reaction V2O4
-# Enthalpy of formation: -1427.31 kJ/mol
- -analytic -1.4429e+002 -3.7423e-002 9.7046e+003 5.3125e+001 1.5147e+002
-# -Range: 0-300
-
-V3O5
- V3O5 +8.0000 H+ = + 1.0000 VO++ + 2.0000 V+++ + 4.0000 H2O
- log_k 13.4312
- -delta_H -218.857 kJ/mol # Calculated enthalpy of reaction V3O5
-# Enthalpy of formation: -1933.17 kJ/mol
- -analytic -1.7652e+002 -2.1959e-002 1.6814e+004 5.6618e+001 2.8559e+002
-# -Range: 0-200
-
-V4O7
- V4O7 +10.0000 H+ = + 2.0000 V+++ + 2.0000 VO++ + 5.0000 H2O
- log_k 18.7946
- -delta_H -284.907 kJ/mol # Calculated enthalpy of reaction V4O7
-# Enthalpy of formation: -2639.56 kJ/mol
- -analytic -2.2602e+002 -3.0261e-002 2.1667e+004 7.3214e+001 3.6800e+002
-# -Range: 0-200
-
-Vaesite
- NiS2 +1.0000 H2O = + 0.2500 H+ + 0.2500 SO4-- + 1.0000 Ni++ + 1.7500 HS-
- log_k -26.7622
- -delta_H 110.443 kJ/mol # Calculated enthalpy of reaction Vaesite
-# Enthalpy of formation: -32.067 kcal/mol
- -analytic 1.6172e+001 -2.2673e-002 -8.2514e+003 -3.4392e+000 -1.4013e+002
-# -Range: 0-200
-
-Vivianite
- Fe3(PO4)2:8H2O +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Fe++ + 8.0000 H2O
- log_k -4.7237
- -delta_H 0 # Not possible to calculate enthalpy of reaction Vivianite
-# Enthalpy of formation: 0 kcal/mol
-
-W
- W +1.5000 O2 +1.0000 H2O = + 1.0000 WO4-- + 2.0000 H+
- log_k 123.4334
- -delta_H -771.668 kJ/mol # Calculated enthalpy of reaction W
-# Enthalpy of formation: 0 kJ/mol
- -analytic -1.0433e+002 -6.9470e-002 4.0134e+004 4.5993e+001 6.2629e+002
-# -Range: 0-300
-
-Wairakite
- CaAl2Si4O10(OH)4 +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Al+++ + 4.0000 SiO2 + 6.0000 H2O
- log_k 18.0762
- -delta_H -237.781 kJ/mol # Calculated enthalpy of reaction Wairakite
-# Enthalpy of formation: -1579.33 kcal/mol
- -analytic -1.7914e+001 3.2944e-003 2.2782e+004 -9.0981e+000 -1.6934e+006
-# -Range: 0-300
-
-Weeksite
- K2(UO2)2(Si2O5)3:4H2O +6.0000 H+ = + 2.0000 K+ + 2.0000 UO2++ + 6.0000 SiO2 + 7.0000 H2O
- log_k 15.3750
- -delta_H 0 # Not possible to calculate enthalpy of reaction Weeksite
-# Enthalpy of formation: 0 kcal/mol
-
-Whitlockite
- Ca3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Ca++
- log_k -4.2249
- -delta_H -116.645 kJ/mol # Calculated enthalpy of reaction Whitlockite
-# Enthalpy of formation: -4096.77 kJ/mol
- -analytic -5.3543e+002 -1.8842e-001 1.7176e+004 2.1406e+002 2.6817e+002
-# -Range: 0-300
-
-Wilkmanite
- Ni3Se4 +1.0000 H2O = + 0.5000 O2 + 2.0000 H+ + 3.0000 Ni++ + 4.0000 Se--
- log_k -152.8793
- -delta_H 0 # Not possible to calculate enthalpy of reaction Wilkmanite
-# Enthalpy of formation: -60.285 kcal/mol
- -analytic -1.9769e+002 -4.9968e-002 -2.8208e+004 6.2863e+001 -1.1322e+005
-# -Range: 0-300
-
-Witherite
- BaCO3 +1.0000 H+ = + 1.0000 Ba++ + 1.0000 HCO3-
- log_k -2.9965
- -delta_H 17.1628 kJ/mol # Calculated enthalpy of reaction Witherite
-# Enthalpy of formation: -297.5 kcal/mol
- -analytic -1.2585e+002 -4.4315e-002 2.0227e+003 5.2239e+001 3.1600e+001
-# -Range: 0-300
-
-Wollastonite
- CaSiO3 +2.0000 H+ = + 1.0000 Ca++ + 1.0000 H2O + 1.0000 SiO2
- log_k 13.7605
- -delta_H -76.5756 kJ/mol # Calculated enthalpy of reaction Wollastonite
-# Enthalpy of formation: -389.59 kcal/mol
- -analytic 3.0931e+001 6.7466e-003 5.1749e+003 -1.3209e+001 -3.4579e+005
-# -Range: 0-300
-
-Wurtzite
- ZnS +1.0000 H+ = + 1.0000 HS- + 1.0000 Zn++
- log_k -9.1406
- -delta_H 22.3426 kJ/mol # Calculated enthalpy of reaction Wurtzite
-# Enthalpy of formation: -45.85 kcal/mol
- -analytic -1.5446e+002 -4.8874e-002 2.4551e+003 6.1278e+001 3.8355e+001
-# -Range: 0-300
-
-Wustite
- Fe.947O +2.0000 H+ = + 0.1060 Fe+++ + 0.8410 Fe++ + 1.0000 H2O
- log_k 12.4113
- -delta_H -102.417 kJ/mol # Calculated enthalpy of reaction Wustite
-# Enthalpy of formation: -266.265 kJ/mol
- -analytic -7.6919e+001 -1.8433e-002 7.3823e+003 2.8312e+001 1.1522e+002
-# -Range: 0-300
-
-Xonotlite
- Ca6Si6O17(OH)2 +12.0000 H+ = + 6.0000 Ca++ + 6.0000 SiO2 + 7.0000 H2O
- log_k 91.8267
- -delta_H -495.457 kJ/mol # Calculated enthalpy of reaction Xonotlite
-# Enthalpy of formation: -2397.25 kcal/mol
- -analytic 1.6080e+003 3.7309e-001 -2.2548e+004 -6.2716e+002 -3.8346e+002
-# -Range: 0-200
-
-Y
- Y +3.0000 H+ +0.7500 O2 = + 1.0000 Y+++ + 1.5000 H2O
- log_k 184.5689
- -delta_H -1134.7 kJ/mol # Calculated enthalpy of reaction Y
-# Enthalpy of formation: 0 kJ/mol
- -analytic -6.2641e+001 -2.8062e-002 5.9667e+004 2.2394e+001 9.3107e+002
-# -Range: 0-300
-
-Yb
- Yb +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Yb++
- log_k 137.1930
- -delta_H -810.303 kJ/mol # Calculated enthalpy of reaction Yb
-# Enthalpy of formation: 0 kJ/mol
- -analytic -7.4712e+001 -2.0993e-002 4.4129e+004 2.8341e+001 6.8862e+002
-# -Range: 0-300
-
-Yb(OH)3
- Yb(OH)3 +3.0000 H+ = + 1.0000 Yb+++ + 3.0000 H2O
- log_k 14.6852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(OH)3
-# Enthalpy of formation: 0 kcal/mol
-
-Yb(OH)3(am)
- Yb(OH)3 +3.0000 H+ = + 1.0000 Yb+++ + 3.0000 H2O
- log_k 18.9852
- -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(OH)3(am)
-# Enthalpy of formation: 0 kcal/mol
-
-Yb2(CO3)3
- Yb2(CO3)3 +3.0000 H+ = + 2.0000 Yb+++ + 3.0000 HCO3-
- log_k -2.3136
- -delta_H 0 # Not possible to calculate enthalpy of reaction Yb2(CO3)3
-# Enthalpy of formation: 0 kcal/mol
-
-Yb2O3
- Yb2O3 +6.0000 H+ = + 2.0000 Yb+++ + 3.0000 H2O
- log_k 47.8000
- -delta_H 0 # Not possible to calculate enthalpy of reaction Yb2O3
-# Enthalpy of formation: 0 kcal/mol
-
-YbF3:.5H2O
- YbF3:.5H2O = + 0.5000 H2O + 1.0000 Yb+++ + 3.0000 F-
- log_k -16.0000
- -delta_H 0 # Not possible to calculate enthalpy of reaction YbF3:.5H2O
-# Enthalpy of formation: 0 kcal/mol
-
-YbPO4:10H2O
- YbPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Yb+++ + 10.0000 H2O
- log_k -11.7782
- -delta_H 0 # Not possible to calculate enthalpy of reaction YbPO4:10H2O
-# Enthalpy of formation: 0 kcal/mol
-
-Zincite
- ZnO +2.0000 H+ = + 1.0000 H2O + 1.0000 Zn++
- log_k 11.2087
- -delta_H -88.7638 kJ/mol # Calculated enthalpy of reaction Zincite
-# Enthalpy of formation: -350.46 kJ/mol
- -analytic -8.6681e+001 -1.9324e-002 7.1034e+003 3.2256e+001 1.1087e+002
-# -Range: 0-300
-
-Zircon
- ZrSiO4 +2.0000 H+ = + 1.0000 SiO2 + 1.0000 Zr(OH)2++
- log_k -15.4193
- -delta_H 64.8635 kJ/mol # Calculated enthalpy of reaction Zircon
-# Enthalpy of formation: -2033.4 kJ/mol
- -analytic 9.2639e+000 6.5416e-003 5.0759e+002 -8.4547e+000 -6.6155e+005
-# -Range: 0-300
-
-Zn
- Zn +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Zn++
- log_k 68.8035
- -delta_H -433.157 kJ/mol # Calculated enthalpy of reaction Zn
-# Enthalpy of formation: 0 kJ/mol
- -analytic -6.4131e+001 -2.0009e-002 2.3921e+004 2.3702e+001 3.7329e+002
-# -Range: 0-300
-
-Zn(BO2)2
- Zn(BO2)2 +2.0000 H+ +2.0000 H2O = + 1.0000 Zn++ + 2.0000 B(OH)3
- log_k 8.3130
- -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(BO2)2
-# Enthalpy of formation: 0 kcal/mol
-
-Zn(ClO4)2:6H2O
- Zn(ClO4)2:6H2O = + 1.0000 Zn++ + 2.0000 ClO4- + 6.0000 H2O
- log_k 5.6474
- -delta_H 6.31871 kJ/mol # Calculated enthalpy of reaction Zn(ClO4)2:6H2O
-# Enthalpy of formation: -2133.39 kJ/mol
- -analytic -1.8191e+002 -9.1383e-003 7.4822e+003 6.6751e+001 1.2712e+002
-# -Range: 0-200
-
-Zn(IO3)2
- Zn(IO3)2 = + 1.0000 Zn++ + 2.0000 IO3-
- log_k -5.3193
- -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(IO3)2
-# Enthalpy of formation: 0 kcal/mol
-
-Zn(NO3)2:6H2O
- Zn(NO3)2:6H2O = + 1.0000 Zn++ + 2.0000 NO3- + 6.0000 H2O
- log_k 3.4102
- -delta_H 24.7577 kJ/mol # Calculated enthalpy of reaction Zn(NO3)2:6H2O
-# Enthalpy of formation: -2306.8 kJ/mol
- -analytic -1.7152e+002 -1.6875e-002 5.6291e+003 6.5094e+001 9.5649e+001
-# -Range: 0-200
-
-Zn(OH)2(beta)
- Zn(OH)2 +2.0000 H+ = + 1.0000 Zn++ + 2.0000 H2O
- log_k 11.9341
- -delta_H -83.2111 kJ/mol # Calculated enthalpy of reaction Zn(OH)2(beta)
-# Enthalpy of formation: -641.851 kJ/mol
- -analytic -7.7810e+001 -7.8548e-003 7.1994e+003 2.7455e+001 1.2228e+002
-# -Range: 0-200
-
-Zn(OH)2(epsilon)
- Zn(OH)2 +2.0000 H+ = + 1.0000 Zn++ + 2.0000 H2O
- log_k 11.6625
- -delta_H -81.7811 kJ/mol # Calculated enthalpy of reaction Zn(OH)2(epsilon)
-# Enthalpy of formation: -643.281 kJ/mol
- -analytic -7.7938e+001 -7.8767e-003 7.1282e+003 2.7496e+001 1.2107e+002
-# -Range: 0-200
-
-Zn(OH)2(gamma)
- Zn(OH)2 +2.0000 H+ = + 1.0000 Zn++ + 2.0000 H2O
- log_k 11.8832
- -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)2(gamma)
-# Enthalpy of formation: 0 kcal/mol
-
-Zn2(OH)3Cl
- Zn2(OH)3Cl +3.0000 H+ = + 1.0000 Cl- + 2.0000 Zn++ + 3.0000 H2O
- log_k 15.2921
- -delta_H 0 # Not possible to calculate enthalpy of reaction Zn2(OH)3Cl
-# Enthalpy of formation: 0 kcal/mol
-
-Zn2SO4(OH)2
- Zn2SO4(OH)2 +2.0000 H+ = + 1.0000 SO4-- + 2.0000 H2O + 2.0000 Zn++
- log_k 7.5816
- -delta_H 0 # Not possible to calculate enthalpy of reaction Zn2SO4(OH)2
-# Enthalpy of formation: 0 kcal/mol
-
-Zn2SiO4
- Zn2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Zn++
- log_k 13.8695
- -delta_H -119.399 kJ/mol # Calculated enthalpy of reaction Zn2SiO4
-# Enthalpy of formation: -1636.75 kJ/mol
- -analytic 2.0970e+002 5.3663e-002 -1.2724e+002 -8.5445e+001 -2.2336e+000
-# -Range: 0-200
-
-Zn2TiO4
- Zn2TiO4 +4.0000 H+ = + 1.0000 Ti(OH)4 + 2.0000 Zn++
- log_k 12.3273
- -delta_H 0 # Not possible to calculate enthalpy of reaction Zn2TiO4
-# Enthalpy of formation: -1647.85 kJ/mol
-
-Zn3(AsO4)2
- Zn3(AsO4)2 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 Zn++
- log_k 9.3122
- -delta_H 0 # Not possible to calculate enthalpy of reaction Zn3(AsO4)2
-# Enthalpy of formation: 0 kcal/mol
-
-Zn3O(SO4)2
- Zn3O(SO4)2 +2.0000 H+ = + 1.0000 H2O + 2.0000 SO4-- + 3.0000 Zn++
- log_k 19.1188
- -delta_H -258.253 kJ/mol # Calculated enthalpy of reaction Zn3O(SO4)2
-# Enthalpy of formation: -2306.95 kJ/mol
- -analytic -3.9661e+001 -4.3860e-002 1.1301e+004 1.3709e+001 1.9193e+002
-# -Range: 0-200
-
-Zn5(NO3)2(OH)8
- Zn5(NO3)2(OH)8 +8.0000 H+ = + 2.0000 NO3- + 5.0000 Zn++ + 8.0000 H2O
- log_k 42.6674
- -delta_H 0 # Not possible to calculate enthalpy of reaction Zn5(NO3)2(OH)8
-# Enthalpy of formation: 0 kcal/mol
-
-ZnBr2
- ZnBr2 = + 1.0000 Zn++ + 2.0000 Br-
- log_k 7.5787
- -delta_H -67.7622 kJ/mol # Calculated enthalpy of reaction ZnBr2
-# Enthalpy of formation: -328.63 kJ/mol
- -analytic 6.5789e-002 -2.1477e-002 1.9840e+003 2.9302e+000 3.3691e+001
-# -Range: 0-200
-
-ZnBr2:2H2O
- ZnBr2:2H2O = + 1.0000 Zn++ + 2.0000 Br- + 2.0000 H2O
- log_k 5.2999
- -delta_H -30.9268 kJ/mol # Calculated enthalpy of reaction ZnBr2:2H2O
-# Enthalpy of formation: -937.142 kJ/mol
- -analytic -4.9260e+001 -2.1682e-002 2.4325e+003 2.1360e+001 4.1324e+001
-# -Range: 0-200
-
-ZnCO3:H2O
- ZnCO3:H2O +1.0000 H+ = + 1.0000 H2O + 1.0000 HCO3- + 1.0000 Zn++
- log_k 0.1398
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZnCO3:H2O
-# Enthalpy of formation: 0 kcal/mol
-
-ZnCl2
- ZnCl2 = + 1.0000 Zn++ + 2.0000 Cl-
- log_k 7.0880
- -delta_H -72.4548 kJ/mol # Calculated enthalpy of reaction ZnCl2
-# Enthalpy of formation: -415.09 kJ/mol
- -analytic -1.6157e+001 -2.5405e-002 2.6505e+003 8.8584e+000 4.5015e+001
-# -Range: 0-200
-
-ZnCl2(NH3)2
- ZnCl2(NH3)2 = + 1.0000 Zn++ + 2.0000 Cl- + 2.0000 NH3
- log_k -6.9956
- -delta_H 27.2083 kJ/mol # Calculated enthalpy of reaction ZnCl2(NH3)2
-# Enthalpy of formation: -677.427 kJ/mol
- -analytic -5.9409e+001 -2.2698e-002 -2.9178e+002 2.4308e+001 -4.9341e+000
-# -Range: 0-200
-
-ZnCl2(NH3)4
- ZnCl2(NH3)4 = + 1.0000 Zn++ + 2.0000 Cl- + 4.0000 NH3
- log_k -6.6955
- -delta_H 56.2004 kJ/mol # Calculated enthalpy of reaction ZnCl2(NH3)4
-# Enthalpy of formation: -869.093 kJ/mol
- -analytic -9.9769e+001 -1.9793e-002 4.2916e+002 3.9412e+001 7.3223e+000
-# -Range: 0-200
-
-ZnCl2(NH3)6
- ZnCl2(NH3)6 = + 1.0000 Zn++ + 2.0000 Cl- + 6.0000 NH3
- log_k -4.7311
- -delta_H 77.4225 kJ/mol # Calculated enthalpy of reaction ZnCl2(NH3)6
-# Enthalpy of formation: -1052.99 kJ/mol
- -analytic -1.3984e+002 -1.6896e-002 1.5559e+003 5.4524e+001 2.6470e+001
-# -Range: 0-200
-
-ZnCr2O4
- ZnCr2O4 +8.0000 H+ = + 1.0000 Zn++ + 2.0000 Cr+++ + 4.0000 H2O
- log_k 7.9161
- -delta_H -221.953 kJ/mol # Calculated enthalpy of reaction ZnCr2O4
-# Enthalpy of formation: -370.88 kcal/mol
- -analytic -1.7603e+002 -1.0217e-002 1.7414e+004 5.1966e+001 2.9577e+002
-# -Range: 0-200
-
-ZnF2
- ZnF2 = + 1.0000 Zn++ + 2.0000 F-
- log_k -0.4418
- -delta_H -59.8746 kJ/mol # Calculated enthalpy of reaction ZnF2
-# Enthalpy of formation: -764.206 kJ/mol
- -analytic -2.6085e+002 -8.4594e-002 9.0240e+003 1.0318e+002 1.4089e+002
-# -Range: 0-300
-
-ZnI2
- ZnI2 = + 1.0000 Zn++ + 2.0000 I-
- log_k 7.3885
- -delta_H -59.2332 kJ/mol # Calculated enthalpy of reaction ZnI2
-# Enthalpy of formation: -207.957 kJ/mol
- -analytic -1.6472e+001 -2.5573e-002 2.0796e+003 9.9013e+000 3.5320e+001
-# -Range: 0-200
-
-ZnSO4
- ZnSO4 = + 1.0000 SO4-- + 1.0000 Zn++
- log_k 3.5452
- -delta_H -80.132 kJ/mol # Calculated enthalpy of reaction ZnSO4
-# Enthalpy of formation: -982.855 kJ/mol
- -analytic 6.9905e+000 -1.8046e-002 2.2566e+003 -2.2819e+000 3.8318e+001
-# -Range: 0-200
-
-ZnSO4:6H2O
- ZnSO4:6H2O = + 1.0000 SO4-- + 1.0000 Zn++ + 6.0000 H2O
- log_k -1.6846
- -delta_H -0.412008 kJ/mol # Calculated enthalpy of reaction ZnSO4:6H2O
-# Enthalpy of formation: -2777.61 kJ/mol
- -analytic -1.4506e+002 -1.8736e-002 5.2179e+003 5.3121e+001 8.8657e+001
-# -Range: 0-200
-
-ZnSO4:7H2O
- ZnSO4:7H2O = + 1.0000 SO4-- + 1.0000 Zn++ + 7.0000 H2O
- log_k -1.8683
- -delta_H 14.0417 kJ/mol # Calculated enthalpy of reaction ZnSO4:7H2O
-# Enthalpy of formation: -3077.9 kJ/mol
- -analytic -1.6943e+002 -1.8833e-002 5.6484e+003 6.2326e+001 9.5975e+001
-# -Range: 0-200
-
-ZnSO4:H2O
- ZnSO4:H2O = + 1.0000 H2O + 1.0000 SO4-- + 1.0000 Zn++
- log_k -0.5383
- -delta_H -44.2824 kJ/mol # Calculated enthalpy of reaction ZnSO4:H2O
-# Enthalpy of formation: -1304.54 kJ/mol
- -analytic -1.7908e+001 -1.8228e-002 1.5811e+003 7.0677e+000 2.6856e+001
-# -Range: 0-200
-
-ZnSeO3:H2O
- ZnSeO3:H2O = + 1.0000 H2O + 1.0000 SeO3-- + 1.0000 Zn++
- log_k -6.7408
- -delta_H -17.9056 kJ/mol # Calculated enthalpy of reaction ZnSeO3:H2O
-# Enthalpy of formation: -930.511 kJ/mol
- -analytic -1.8569e+001 -1.9929e-002 6.4377e+001 7.0892e+000 1.0996e+000
-# -Range: 0-200
-
-Zoisite
- Ca2Al3(SiO4)3OH +13.0000 H+ = + 2.0000 Ca++ + 3.0000 Al+++ + 3.0000 SiO2 + 7.0000 H2O
- log_k 43.3017
- -delta_H -458.131 kJ/mol # Calculated enthalpy of reaction Zoisite
-# Enthalpy of formation: -1643.69 kcal/mol
- -analytic 2.5321e+000 -3.5886e-002 1.9902e+004 -6.2443e+000 3.1055e+002
-# -Range: 0-300
-
-Zr
- Zr +2.0000 H+ +1.0000 O2 = + 1.0000 Zr(OH)2++
- log_k 177.6471
- -delta_H -1078.71 kJ/mol # Calculated enthalpy of reaction Zr
-# Enthalpy of formation: 0 kJ/mol
- -analytic -2.8360e+001 -1.5214e-002 5.8045e+004 7.8012e+000 -3.0657e+005
-# -Range: 0-300
-
-ZrB2
- ZrB2 +3.0000 H+ +2.0000 H2O +0.5000 O2 = + 1.0000 B(OH)3 + 1.0000 BH4- + 1.0000 Zr++++
- log_k 103.4666
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZrB2
-# Enthalpy of formation: -326.628 kJ/mol
-
-ZrC
- ZrC +3.0000 H+ +2.0000 O2 = + 1.0000 H2O + 1.0000 HCO3- + 1.0000 Zr++++
- log_k 207.0906
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZrC
-# Enthalpy of formation: -203.008 kJ/mol
-
-ZrCl
- ZrCl +3.0000 H+ +0.7500 O2 = + 1.0000 Cl- + 1.0000 Zr++++ + 1.5000 H2O
- log_k 130.9450
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl
-# Enthalpy of formation: -303.211 kJ/mol
-
-ZrCl2
- ZrCl2 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Zr++++ + 2.0000 Cl-
- log_k 96.3205
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl2
-# Enthalpy of formation: -531.021 kJ/mol
-
-ZrCl3
- ZrCl3 +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Zr++++ + 3.0000 Cl-
- log_k 62.4492
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl3
-# Enthalpy of formation: -754.997 kJ/mol
-
-ZrCl4
- ZrCl4 = + 1.0000 Zr++++ + 4.0000 Cl-
- log_k 27.9824
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl4
-# Enthalpy of formation: -980.762 kJ/mol
-
-ZrF4(beta)
- ZrF4 = + 1.0000 Zr++++ + 4.0000 F-
- log_k -27.7564
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF4(beta)
-# Enthalpy of formation: -1911.26 kJ/mol
-
-ZrH2
- ZrH2 +4.0000 H+ +1.5000 O2 = + 1.0000 Zr++++ + 3.0000 H2O
- log_k 198.3224
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZrH2
-# Enthalpy of formation: -168.946 kJ/mol
-
-ZrN
- ZrN +4.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 NH3 + 1.0000 Zr++++
- log_k 59.1271
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZrN
-# Enthalpy of formation: -365 kJ/mol
-
-O-phthalic_acid
- H2O_phthalate = + 1.0000 O_phthalate-2 + 2.0000 H+
- log_k -9.7755
- -delta_H 0 # Not possible to calculate enthalpy of reaction O-phthalic_acid
-# Enthalpy of formation: -186.88 kJ/mol
- -analytic 7.3450e+001 1.9477e-002 -3.6511e+003 -3.1035e+001 -6.2027e+001
-# -Range: 0-200
-Br2(l)
- Br2 +1.0000 H2O = + 0.5000 O2 + 2.0000 Br- + 2.0000 H+
- log_k -6.5419
- -delta_H 36.7648 kJ/mol # Calculated enthalpy of reaction Br2(l)
-# Enthalpy of formation: 0 kJ/mol
- -analytic -1.5875e+002 -5.8039e-002 1.5583e+003 6.6381e+001 2.4362e+001
-# -Range: 0-300
-
-Hg(l)
- Hg +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Hg++
- log_k 14.1505
- -delta_H -109.608 kJ/mol # Calculated enthalpy of reaction Hg(l)
-# Enthalpy of formation: 0 kcal/mol
- -analytic -6.6462e+001 -1.8504e-002 7.3141e+003 2.4888e+001 1.1415e+002
-# -Range: 0-300
-
-Ag(g)
- Ag +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Ag+
- log_k 51.0924
- -delta_H -319.035 kJ/mol # Calculated enthalpy of reaction Ag(g)
-# Enthalpy of formation: 284.9 kJ/mol
- -analytic -5.8006e+000 1.7178e-003 1.6809e+004 0.0000e+000 0.0000e+000
-# -Range: 0-200
-
-Al(g)
- Al +3.0000 H+ +0.7500 O2 = + 1.0000 Al+++ + 1.5000 H2O
- log_k 200.6258
- -delta_H -1288.06 kJ/mol # Calculated enthalpy of reaction Al(g)
-# Enthalpy of formation: 330 kJ/mol
- -analytic 9.6402e+000 -6.9301e-003 6.5270e+004 -1.0461e+001 1.1084e+003
-# -Range: 0-200
-
-Am(g)
- Am +3.0000 H+ +0.7500 O2 = + 1.0000 Am+++ + 1.5000 H2O
- log_k 211.7865
- -delta_H -1320.16 kJ/mol # Calculated enthalpy of reaction Am(g)
-# Enthalpy of formation: 283.8 kJ/mol
- -analytic -1.4236e+001 -8.7560e-003 6.8166e+004 0.0000e+000 0.0000e+000
-# -Range: 0-300
-
-AmF3(g)
- AmF3 = + 1.0000 Am+++ + 3.0000 F-
- log_k 49.8631
- -delta_H -455.843 kJ/mol # Calculated enthalpy of reaction AmF3(g)
-# Enthalpy of formation: -1166.9 kJ/mol
- -analytic -4.7209e+001 -3.6440e-002 2.2278e+004 1.3418e+001 3.7833e+002
-# -Range: 0-200
-
-Ar(g)
- Ar = + 1.0000 Ar
- log_k -2.8587
- -delta_H -12.0081 kJ/mol # Calculated enthalpy of reaction Ar(g)
-# Enthalpy of formation: 0 kcal/mol
- -analytic -7.4387e+000 7.8991e-003 0.0000e+000 0.0000e+000 1.9830e+005
-# -Range: 0-300
-
-B(g)
- B +1.5000 H2O +0.7500 O2 = + 1.0000 B(OH)3
- log_k 200.8430
- -delta_H -1201.68 kJ/mol # Calculated enthalpy of reaction B(g)
-# Enthalpy of formation: 565 kJ/mol
- -analytic 1.0834e+002 1.0606e-002 5.8150e+004 -4.2720e+001 9.8743e+002
-# -Range: 0-200
-
-BF3(g)
- BF3 +3.0000 H2O = + 1.0000 B(OH)3 + 3.0000 F- + 3.0000 H+
- log_k -2.9664
- -delta_H -87.0627 kJ/mol # Calculated enthalpy of reaction BF3(g)
-# Enthalpy of formation: -1136 kJ/mol
- -analytic 5.2848e+001 -2.4617e-002 -1.8159e+002 -1.9350e+001 -3.1018e+000
-# -Range: 0-200
-
-Be(g)
- Be +2.0000 H+ +0.5000 O2 = + 1.0000 Be++ + 1.0000 H2O
- log_k 361.9343
- -delta_H 0 # Not possible to calculate enthalpy of reaction Be(g)
-# Enthalpy of formation: 0 kcal/mol
-
-Br2(g)
- Br2 +1.0000 H2O = + 0.5000 O2 + 2.0000 Br- + 2.0000 H+
- log_k -5.9979
- -delta_H 5.85481 kJ/mol # Calculated enthalpy of reaction Br2(g)
-# Enthalpy of formation: 30.91 kJ/mol
- -analytic -3.2403e+000 -1.7609e-002 -1.4941e+003 3.0300e+000 -2.5370e+001
-# -Range: 0-200
-
-C(g)
- C +1.0000 H2O +1.0000 O2 = + 1.0000 H+ + 1.0000 HCO3-
- log_k 181.7723
- -delta_H -1108.64 kJ/mol # Calculated enthalpy of reaction C(g)
-# Enthalpy of formation: 716.68 kJ/mol
- -analytic 1.0485e+002 1.7907e-003 5.2768e+004 -4.0661e+001 8.9605e+002
-# -Range: 0-200
-
-Ethylene(g)
- Ethylene = + 1.0000 Ethylene
- log_k -2.3236
- -delta_H -16.4431 kJ/mol # Calculated enthalpy of reaction Ethylene(g)
-# Enthalpy of formation: 12.5 kcal/mol
- -analytic -7.5368e+000 8.4676e-003 0.0000e+000 0.0000e+000 2.3971e+005
-# -Range: 0-300
-
-CH4(g)
- CH4 = + 1.0000 CH4
- log_k -2.8502
- -delta_H -13.0959 kJ/mol # Calculated enthalpy of reaction CH4(g)
-# Enthalpy of formation: -17.88 kcal/mol
- -analytic -2.4027e+001 4.7146e-003 3.7227e+002 6.4264e+000 2.3362e+005
-# -Range: 0-300
-
-CO(g)
-# CO +1.0000 H2O +0.5000 O2 = + 1.0000 H+ + 1.0000 HCO3-
-# log_k 38.6934
-# -analytic -6.1217e+001 -3.1388e-002 1.5283e+004 2.3433e+001 2.3850e+002
-# -Range: 0-300
- CO = CO
- log_k -3.0068
- -delta_H -10.4349 kJ/mol # Calculated enthalpy of reaction CO(g)
-# Enthalpy of formation: -26.416 kcal/mol
- -analytic -8.0849e+000 9.2114e-003 0.0000e+000 0.0000e+000 2.0813e+005
-# -Range: 0-300
-
-CO2(g)
- CO2 +1.0000 H2O = + 1.0000 H+ + 1.0000 HCO3-
- log_k -7.8136
- -delta_H -10.5855 kJ/mol # Calculated enthalpy of reaction CO2(g)
-# Enthalpy of formation: -94.051 kcal/mol
- -analytic -8.5938e+001 -3.0431e-002 2.0702e+003 3.2427e+001 3.2328e+001
-# -Range: 0-300
-
-Ca(g)
- Ca +2.0000 H+ +0.5000 O2 = + 1.0000 Ca++ + 1.0000 H2O
- log_k 165.0778
- -delta_H -1000.65 kJ/mol # Calculated enthalpy of reaction Ca(g)
-# Enthalpy of formation: 177.8 kJ/mol
- -analytic -7.3029e+000 -4.8208e-003 5.1822e+004 0.0000e+000 0.0000e+000
-# -Range: 0-200
-
-Cd(g)
- Cd +2.0000 H+ +0.5000 O2 = + 1.0000 Cd++ + 1.0000 H2O
- log_k 70.1363
- -delta_H -467.469 kJ/mol # Calculated enthalpy of reaction Cd(g)
-# Enthalpy of formation: 111.8 kJ/mol
- -analytic -9.8665e+000 -3.0921e-003 2.4126e+004 0.0000e+000 0.0000e+000
-# -Range: 0-200
-
-Cl2(g)
- Cl2 +1.0000 H2O = + 0.5000 O2 + 2.0000 Cl- + 2.0000 H+
- log_k 3.0004
- -delta_H -54.3878 kJ/mol # Calculated enthalpy of reaction Cl2(g)
-# Enthalpy of formation: 0 kJ/mol
- -analytic -1.9456e+001 -2.1491e-002 2.0652e+003 8.8629e+000 3.5076e+001
-# -Range: 0-200
-
-Cs(g)
- Cs +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Cs+
- log_k 81.2805
- -delta_H -474.413 kJ/mol # Calculated enthalpy of reaction Cs(g)
-# Enthalpy of formation: 76.5 kJ/mol
- -analytic 4.1676e+001 9.1952e-003 2.3401e+004 -1.6824e+001 3.9736e+002
-# -Range: 0-200
-
-Cu(g)
- Cu +2.0000 H+ +0.5000 O2 = + 1.0000 Cu++ + 1.0000 H2O
- log_k 83.6618
- -delta_H -551.483 kJ/mol # Calculated enthalpy of reaction Cu(g)
-# Enthalpy of formation: 337.4 kJ/mol
- -analytic -1.1249e+001 -2.7585e-003 2.8541e+004 0.0000e+000 0.0000e+000
-# -Range: 0-200
-
-F2(g)
- F2 +1.0000 H2O = + 0.5000 O2 + 2.0000 F- + 2.0000 H+
- log_k 55.7197
- -delta_H -390.924 kJ/mol # Calculated enthalpy of reaction F2(g)
-# Enthalpy of formation: 0 kJ/mol
- -analytic -3.2664e+001 -2.1035e-002 1.9974e+004 1.1174e+001 3.3920e+002
-# -Range: 0-200
-
-H2(g)
-# H2 +0.5000 O2 = + 1.0000 H2O
-# log_k 43.0016
-# -analytic -1.1609e+001 -3.7580e-003 1.5068e+004 2.4198e+000 -7.0997e+004
-# -Range: 0-300
- H2 = H2
- log_k -3.1050
- -delta_H -4.184 kJ/mol # Calculated enthalpy of reaction H2(g)
-# Enthalpy of formation: 0 kcal/mol
- -analytic -9.3114e+000 4.6473e-003 -4.9335e+001 1.4341e+000 1.2815e+005
-# -Range: 0-300
-
-H2O(g)
- H2O = + 1.0000 H2O
- log_k 1.5854
- -delta_H -43.4383 kJ/mol # Calculated enthalpy of reaction H2O(g)
-# Enthalpy of formation: -57.935 kcal/mol
- -analytic -1.4782e+001 1.0752e-003 2.7519e+003 2.7548e+000 4.2945e+001
-# -Range: 0-300
-
-H2S(g)
- H2S = + 1.0000 H+ + 1.0000 HS-
- log_k -7.9759
- -delta_H 4.5229 kJ/mol # Calculated enthalpy of reaction H2S(g)
-# Enthalpy of formation: -4.931 kcal/mol
- -analytic -9.7354e+001 -3.1576e-002 1.8285e+003 3.7440e+001 2.8560e+001
-# -Range: 0-300
-
-HBr(g)
- HBr = + 1.0000 Br- + 1.0000 H+
- log_k 8.8815
- -delta_H -85.2134 kJ/mol # Calculated enthalpy of reaction HBr(g)
-# Enthalpy of formation: -36.29 kJ/mol
- -analytic 8.1303e+000 -6.6641e-003 3.3951e+003 -3.4973e+000 5.7651e+001
-# -Range: 0-200
-
-HCl(g)
- HCl = + 1.0000 Cl- + 1.0000 H+
- log_k 6.3055
- -delta_H -74.7697 kJ/mol # Calculated enthalpy of reaction HCl(g)
-# Enthalpy of formation: -92.31 kJ/mol
- -analytic -2.8144e-001 -8.6776e-003 3.0668e+003 -4.5105e-001 5.2078e+001
-# -Range: 0-200
-
-HF(g)
- HF = + 1.0000 F- + 1.0000 H+
- log_k 1.1126
- -delta_H 0 # Not possible to calculate enthalpy of reaction Hf(g)
-# Enthalpy of formation: 619.234 kJ/mol
- -analytic -8.5783e+000 -8.8440e-003 2.6279e+003 1.4180e+000 4.4628e+001
-# -Range: 0-200
-
-HI(g)
- HI = + 1.0000 H+ + 1.0000 I-
- log_k 9.3944
- -delta_H -83.4024 kJ/mol # Calculated enthalpy of reaction HI(g)
-# Enthalpy of formation: 26.5 kJ/mol
- -analytic 5.8250e-003 -8.7146e-003 3.5728e+003 0.0000e+000 0.0000e+000
-# -Range: 0-200
-
-He(g)
- He = + 1.0000 He
- log_k -3.4143
- -delta_H -0.6276 kJ/mol # Calculated enthalpy of reaction He(g)
-# Enthalpy of formation: 0 kcal/mol
- -analytic -1.3402e+001 4.6358e-003 1.8295e+002 2.8070e+000 9.3373e+004
-# -Range: 0-300
-
-Hf(g)
- Hf +4.0000 H+ +1.0000 O2 = + 1.0000 Hf++++ + 2.0000 H2O
- log_k 290.9782
- -delta_H 0 # Not possible to calculate enthalpy of reaction Hf(g)
-# Enthalpy of formation: 0 kJ/mol
-
-Hg(g)
- Hg +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Hg++
- log_k 19.7290
- -delta_H -170.988 kJ/mol # Calculated enthalpy of reaction Hg(g)
-# Enthalpy of formation: 61.38 kJ/mol
- -analytic -1.6232e+001 -3.2863e-003 8.9831e+003 2.7505e+000 1.5255e+002
-# -Range: 0-200
-
-I2(g)
- I2 +1.0000 H2O = + 0.5000 O2 + 2.0000 H+ + 2.0000 I-
- log_k -21.4231
- -delta_H 103.547 kJ/mol # Calculated enthalpy of reaction I2(g)
-# Enthalpy of formation: 62.42 kJ/mol
- -analytic -2.0271e+001 -2.1890e-002 -6.0267e+003 1.0339e+001 -1.0233e+002
-# -Range: 0-200
-
-K(g)
- K +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 K+
- log_k 81.5815
- -delta_H -481.055 kJ/mol # Calculated enthalpy of reaction K(g)
-# Enthalpy of formation: 89 kJ/mol
- -analytic 1.0278e+001 3.0700e-003 2.4729e+004 -5.0763e+000 4.1994e+002
-# -Range: 0-200
-
-Kr(g)
- Kr = + 1.0000 Kr
- log_k -2.6051
- -delta_H -15.2716 kJ/mol # Calculated enthalpy of reaction Kr(g)
-# Enthalpy of formation: 0 kcal/mol
- -analytic -2.1251e+001 4.8308e-003 4.2971e+002 5.3591e+000 2.2304e+005
-# -Range: 0-300
-
-Li(g)
- Li +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Li+
- log_k 94.9423
- -delta_H -577.639 kJ/mol # Calculated enthalpy of reaction Li(g)
-# Enthalpy of formation: 159.3 kJ/mol
- -analytic -2.5692e+001 -1.4385e-003 3.0936e+004 6.9899e+000 5.2535e+002
-# -Range: 0-200
-
-Mg(g)
- Mg +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Mg++
- log_k 142.2494
- -delta_H -892.831 kJ/mol # Calculated enthalpy of reaction Mg(g)
-# Enthalpy of formation: 147.1 kJ/mol
- -analytic -1.3470e+000 -7.7402e-004 4.5992e+004 -4.2207e+000 7.8101e+002
-# -Range: 0-200
-
-N2(g)
-# N2 +3.0000 H2O = + 1.5000 O2 + 2.0000 NH3
-# log_k -119.6473
-# -analytic 2.4168e+001 1.6489e-002 -3.6869e+004 -1.1181e+001 2.3178e+005
-# -Range: 0-300
- N2 = N2
- log_k -3.1864
- -delta_H -10.4391 kJ/mol # Calculated enthalpy of reaction N2(g)
-# Enthalpy of formation: 0 kcal/mol
- -analytic -7.6452e+000 7.9606e-003 0.0000e+000 0.0000e+000 1.8604e+005
-# -Range: 0-300
-NH3(g)
- NH3 = + 1.0000 NH3
- log_k 1.7966
- -delta_H -35.2251 kJ/mol # Calculated enthalpy of reaction NH3(g)
-# Enthalpy of formation: -11.021 kcal/mol
- -analytic -1.8758e+001 3.3670e-004 2.5113e+003 4.8619e+000 3.9192e+001
-# -Range: 0-300
-
-NO(g)
- NO +0.5000 H2O +0.2500 O2 = + 1.0000 H+ + 1.0000 NO2-
- log_k 0.7554
- -delta_H -48.8884 kJ/mol # Calculated enthalpy of reaction NO(g)
-# Enthalpy of formation: 90.241 kJ/mol
- -analytic 8.2147e+000 -1.2708e-001 -6.0593e+003 2.0504e+001 -9.4551e+001
-# -Range: 0-300
-
-NO2(g)
- NO2 +0.5000 H2O +0.2500 O2 = + 1.0000 H+ + 1.0000 NO3-
- log_k 8.3673
- -delta_H -94.0124 kJ/mol # Calculated enthalpy of reaction NO2(g)
-# Enthalpy of formation: 33.154 kJ/mol
- -analytic 9.4389e+001 -2.7511e-001 -1.6783e+004 2.1127e+001 -2.6191e+002
-# -Range: 0-300
-
-Na(g)
- Na +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Na+
- log_k 80.8640
- -delta_H -487.685 kJ/mol # Calculated enthalpy of reaction Na(g)
-# Enthalpy of formation: 107.5 kJ/mol
- -analytic -6.0156e+000 2.4712e-003 2.5682e+004 0.0000e+000 0.0000e+000
-# -Range: 0-200
-
-Ne(g)
- Ne = + 1.0000 Ne
- log_k -3.3462
- -delta_H -3.64008 kJ/mol # Calculated enthalpy of reaction Ne(g)
-# Enthalpy of formation: 0 kcal/mol
- -analytic -6.5169e+000 6.3991e-003 0.0000e+000 0.0000e+000 1.1271e+005
-# -Range: 0-300
-
-O2(g)
- O2 = + 1.0000 O2
- log_k -2.8983
- -delta_H -12.1336 kJ/mol # Calculated enthalpy of reaction O2(g)
-# Enthalpy of formation: 0 kcal/mol
- -analytic -7.5001e+000 7.8981e-003 0.0000e+000 0.0000e+000 2.0027e+005
-# -Range: 0-300
-
-Pb(g)
- Pb +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Pb++
- log_k 75.6090
- -delta_H -474.051 kJ/mol # Calculated enthalpy of reaction Pb(g)
-# Enthalpy of formation: 195.2 kJ/mol
- -analytic 2.5752e+001 2.1307e-003 2.3397e+004 -1.1825e+001 3.9730e+002
-# -Range: 0-200
-
-Rb(g)
- Rb +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Rb+
- log_k 80.4976
- -delta_H -471.909 kJ/mol # Calculated enthalpy of reaction Rb(g)
-# Enthalpy of formation: 80.9 kJ/mol
- -analytic 2.6839e+001 5.9775e-003 2.3720e+004 -1.1189e+001 4.0279e+002
-# -Range: 0-200
-
-Rn(g)
- Rn = + 1.0000 Rn
- log_k -2.0451
- -delta_H -20.92 kJ/mol # Calculated enthalpy of reaction Rn(g)
-# Enthalpy of formation: 0 kcal/mol
- -analytic -3.0258e+001 4.9893e-003 1.4118e+002 8.8798e+000 3.8095e+005
-# -Range: 0-300
-
-RuCl3(g)
- RuCl3 = + 1.0000 Ru+++ + 3.0000 Cl-
- log_k 41.5503
- -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl3(g)
-# Enthalpy of formation: 16.84 kJ/mol
-
-RuO3(g)
- RuO3 +1.0000 H2O = + 1.0000 RuO4-- + 2.0000 H+
- log_k 2.3859
- -delta_H -100.369 kJ/mol # Calculated enthalpy of reaction RuO3(g)
-# Enthalpy of formation: -70.868 kJ/mol
- -analytic 1.1106e+002 1.7191e-002 6.8526e+002 -4.6922e+001 1.1598e+001
-# -Range: 0-200
-
-S2(g)
- S2 +2.0000 H2O = + 0.5000 SO4-- + 1.5000 HS- + 2.5000 H+
- log_k -7.1449
- -delta_H -35.656 kJ/mol # Calculated enthalpy of reaction S2(g)
-# Enthalpy of formation: 30.681 kcal/mol
- -analytic -1.8815e+002 -7.7069e-002 4.8816e+003 7.5802e+001 7.6228e+001
-# -Range: 0-300
-
-SO2(g)
- SO2 = SO2
- log_k 0.1700
- -delta_H 0 # Not possible to calculate enthalpy of reaction SO2(g)
-# Enthalpy of formation: 0 kcal/mol
- -analytic -2.0205e+001 2.8861e-003 1.4862e+003 5.2958e+000 1.2721e+005
-# -Range: 0-300
-
-Si(g)
- Si +1.0000 O2 = + 1.0000 SiO2
- log_k 219.9509
- -delta_H -1315.57 kJ/mol # Calculated enthalpy of reaction Si(g)
-# Enthalpy of formation: 450 kJ/mol
- -analytic 4.1998e+002 8.0113e-002 5.4468e+004 -1.6433e+002 9.2480e+002
-# -Range: 0-200
-
-SiF4(g)
- SiF4 +2.0000 H2O = + 1.0000 SiO2 + 4.0000 F- + 4.0000 H+
- log_k -15.1931
- -delta_H -32.4123 kJ/mol # Calculated enthalpy of reaction SiF4(g)
-# Enthalpy of formation: -1615 kJ/mol
- -analytic 3.4941e+002 3.3668e-002 -1.2780e+004 -1.3410e+002 -2.1714e+002
-# -Range: 0-200
-
-Sn(g)
- Sn +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Sn++
- log_k 94.5019
- -delta_H -589.758 kJ/mol # Calculated enthalpy of reaction Sn(g)
-# Enthalpy of formation: 301.2 kJ/mol
- -analytic 1.4875e+001 -5.6877e-005 2.9728e+004 -8.1131e+000 5.0482e+002
-# -Range: 0-200
-
-Tc2O7(g)
- Tc2O7 +1.0000 H2O = + 2.0000 H+ + 2.0000 TcO4-
- log_k 21.3593
- -delta_H -158.131 kJ/mol # Calculated enthalpy of reaction Tc2O7(g)
-# Enthalpy of formation: -988.569 kJ/mol
- -analytic 7.4140e+001 1.5668e-002 5.6360e+003 -3.0860e+001 9.5682e+001
-# -Range: 0-200
-
-Th(g)
- Th +4.0000 H+ +1.0000 O2 = + 1.0000 Th++++ + 2.0000 H2O
- log_k 307.8413
- -delta_H -1930.56 kJ/mol # Calculated enthalpy of reaction Th(g)
-# Enthalpy of formation: 602 kJ/mol
- -analytic 1.8496e+001 2.7318e-003 9.8807e+004 -1.7332e+001 1.6779e+003
-# -Range: 0-200
-
-Ti(g)
- Ti +2.0000 H2O +1.0000 O2 = + 1.0000 Ti(OH)4
- log_k 224.3510
- -delta_H 0 # Not possible to calculate enthalpy of reaction Ti(g)
-# Enthalpy of formation: 473 kJ/mol
-
-TiBr4(g)
- TiBr4 +4.0000 H2O = + 1.0000 Ti(OH)4 + 4.0000 Br- + 4.0000 H+
- log_k 36.6695
- -delta_H 0 # Not possible to calculate enthalpy of reaction TiBr4(g)
-# Enthalpy of formation: -549.339 kJ/mol
-
-TiCl4(g)
- TiCl4 +4.0000 H2O = + 1.0000 Ti(OH)4 + 4.0000 Cl- + 4.0000 H+
- log_k 28.0518
- -delta_H 0 # Not possible to calculate enthalpy of reaction TiCl4(g)
-# Enthalpy of formation: -763.2 kJ/mol
-
-TiO(g)
- TiO +2.0000 H2O +0.5000 O2 = + 1.0000 Ti(OH)4
- log_k 145.5711
- -delta_H 0 # Not possible to calculate enthalpy of reaction TiO(g)
-# Enthalpy of formation: 17.144 kJ/mol
-
-U(g)
- U +2.0000 H+ +1.5000 O2 = + 1.0000 H2O + 1.0000 UO2++
- log_k 298.3441
- -delta_H -1819.64 kJ/mol # Calculated enthalpy of reaction U(g)
-# Enthalpy of formation: 533 kJ/mol
- -analytic 3.7536e+001 -6.3804e-003 9.2048e+004 -1.8614e+001 1.4363e+003
-# -Range: 0-300
-
-U2Cl10(g)
- U2Cl10 +4.0000 H2O = + 2.0000 UO2+ + 8.0000 H+ + 10.0000 Cl-
- log_k 82.7621
- -delta_H -609.798 kJ/mol # Calculated enthalpy of reaction U2Cl10(g)
-# Enthalpy of formation: -1967.9 kJ/mol
- -analytic -7.5513e+002 -3.0070e-001 4.5824e+004 3.1267e+002 7.1526e+002
-# -Range: 0-300
-
-U2Cl8(g)
- U2Cl8 = + 2.0000 U++++ + 8.0000 Cl-
- log_k 82.4059
- -delta_H -769.437 kJ/mol # Calculated enthalpy of reaction U2Cl8(g)
-# Enthalpy of formation: -1749.6 kJ/mol
- -analytic -7.4441e+002 -2.6943e-001 5.4358e+004 2.9287e+002 8.4843e+002
-# -Range: 0-300
-
-U2F10(g)
- U2F10 +4.0000 H2O = + 2.0000 UO2+ + 8.0000 H+ + 10.0000 F-
- log_k -12.2888
- -delta_H -239.377 kJ/mol # Calculated enthalpy of reaction U2F10(g)
-# Enthalpy of formation: -4021 kJ/mol
- -analytic -9.1542e+002 -3.2040e-001 3.1047e+004 3.6143e+002 4.8473e+002
-# -Range: 0-300
-
-UBr(g)
- UBr +1.0000 O2 = + 1.0000 Br- + 1.0000 UO2+
- log_k 224.8412
- -delta_H -1381.5 kJ/mol # Calculated enthalpy of reaction UBr(g)
-# Enthalpy of formation: 247 kJ/mol
- -analytic -3.1193e+002 -6.3059e-002 8.7633e+004 1.1032e+002 -1.0104e+006
-# -Range: 0-300
-
-UBr2(g)
- UBr2 +1.0000 O2 = + 1.0000 UO2++ + 2.0000 Br-
- log_k 192.6278
- -delta_H -1218.87 kJ/mol # Calculated enthalpy of reaction UBr2(g)
-# Enthalpy of formation: -31 kJ/mol
- -analytic -1.2277e+002 -6.4613e-002 6.4196e+004 4.8209e+001 1.0018e+003
-# -Range: 0-300
-
-UBr3(g)
- UBr3 = + 1.0000 U+++ + 3.0000 Br-
- log_k 67.8918
- -delta_H -489.61 kJ/mol # Calculated enthalpy of reaction UBr3(g)
-# Enthalpy of formation: -364 kJ/mol
- -analytic -2.5784e+002 -9.7583e-002 3.0225e+004 1.0240e+002 4.7171e+002
-# -Range: 0-300
-
-UBr4(g)
- UBr4 = + 1.0000 U++++ + 4.0000 Br-
- log_k 54.2926
- -delta_H -467.113 kJ/mol # Calculated enthalpy of reaction UBr4(g)
-# Enthalpy of formation: -610.1 kJ/mol
- -analytic -3.5205e+002 -1.2867e-001 3.0898e+004 1.3781e+002 4.8223e+002
-# -Range: 0-300
-
-UBr5(g)
- UBr5 +2.0000 H2O = + 1.0000 UO2+ + 4.0000 H+ + 5.0000 Br-
- log_k 61.4272
- -delta_H -423.222 kJ/mol # Calculated enthalpy of reaction UBr5(g)
-# Enthalpy of formation: -637.745 kJ/mol
- -analytic -3.4693e+002 -1.4298e-001 2.8151e+004 1.4406e+002 4.3938e+002
-# -Range: 0-300
-
-UCl(g)
- UCl +1.0000 O2 = + 1.0000 Cl- + 1.0000 UO2+
- log_k 221.7887
- -delta_H -1368.27 kJ/mol # Calculated enthalpy of reaction UCl(g)
-# Enthalpy of formation: 188.2 kJ/mol
- -analytic -4.1941e+001 -2.7879e-002 7.0800e+004 1.3954e+001 1.1048e+003
-# -Range: 0-300
-
-UCl2(g)
- UCl2 +1.0000 O2 = + 1.0000 UO2++ + 2.0000 Cl-
- log_k 183.7912
- -delta_H -1178.03 kJ/mol # Calculated enthalpy of reaction UCl2(g)
-# Enthalpy of formation: -163 kJ/mol
- -analytic -1.3677e+002 -6.7829e-002 6.2413e+004 5.3100e+001 9.7394e+002
-# -Range: 0-300
-
-UCl3(g)
- UCl3 = + 1.0000 U+++ + 3.0000 Cl-
- log_k 58.6335
- -delta_H -453.239 kJ/mol # Calculated enthalpy of reaction UCl3(g)
-# Enthalpy of formation: -537.1 kJ/mol
- -analytic -2.7942e+002 -1.0243e-001 2.8859e+004 1.0982e+002 4.5040e+002
-# -Range: 0-300
-
-UCl4(g)
- UCl4 = + 1.0000 U++++ + 4.0000 Cl-
- log_k 46.3988
- -delta_H -441.419 kJ/mol # Calculated enthalpy of reaction UCl4(g)
-# Enthalpy of formation: -818.1 kJ/mol
- -analytic -3.7971e+002 -1.3504e-001 3.0243e+004 1.4746e+002 4.7202e+002
-# -Range: 0-300
-
-UCl5(g)
- UCl5 +2.0000 H2O = + 1.0000 UO2+ + 4.0000 H+ + 5.0000 Cl-
- log_k 54.5311
- -delta_H -406.349 kJ/mol # Calculated enthalpy of reaction UCl5(g)
-# Enthalpy of formation: -882.5 kJ/mol
- -analytic -3.8234e+002 -1.5109e-001 2.8170e+004 1.5654e+002 4.3968e+002
-# -Range: 0-300
-
-UCl6(g)
- UCl6 +2.0000 H2O = + 1.0000 UO2++ + 4.0000 H+ + 6.0000 Cl-
- log_k 63.4791
- -delta_H -462.301 kJ/mol # Calculated enthalpy of reaction UCl6(g)
-# Enthalpy of formation: -987.5 kJ/mol
- -analytic -4.7128e+002 -1.9133e-001 3.2528e+004 1.9503e+002 5.0771e+002
-# -Range: 0-300
-
-UF(g)
- UF +1.0000 O2 = + 1.0000 F- + 1.0000 UO2+
- log_k 206.2684
- -delta_H -1296.34 kJ/mol # Calculated enthalpy of reaction UF(g)
-# Enthalpy of formation: -52 kJ/mol
- -analytic -6.1248e+001 -3.0360e-002 6.7619e+004 2.0095e+001 1.0551e+003
-# -Range: 0-300
-
-UF2(g)
- UF2 +1.0000 O2 = + 1.0000 UO2++ + 2.0000 F-
- log_k 172.3563
- -delta_H -1147.56 kJ/mol # Calculated enthalpy of reaction UF2(g)
-# Enthalpy of formation: -530 kJ/mol
- -analytic -4.3462e+002 -1.0881e-001 7.6778e+004 1.5835e+002 -8.8536e+005
-# -Range: 0-300
-
-UF3(g)
- UF3 = + 1.0000 U+++ + 3.0000 F-
- log_k 47.2334
- -delta_H -440.943 kJ/mol # Calculated enthalpy of reaction UF3(g)
-# Enthalpy of formation: -1054.2 kJ/mol
- -analytic -3.3058e+002 -1.0866e-001 2.9694e+004 1.2551e+002 4.6344e+002
-# -Range: 0-300
-
-UF4(g)
- UF4 = + 1.0000 U++++ + 4.0000 F-
- log_k 14.5980
- -delta_H -331.39 kJ/mol # Calculated enthalpy of reaction UF4(g)
-# Enthalpy of formation: -1601.2 kJ/mol
- -analytic -4.4692e+002 -1.4314e-001 2.6427e+004 1.6791e+002 4.1250e+002
-# -Range: 0-300
-
-UF5(g)
- UF5 +2.0000 H2O = + 1.0000 UO2+ + 4.0000 H+ + 5.0000 F-
- log_k 6.3801
- -delta_H -220.188 kJ/mol # Calculated enthalpy of reaction UF5(g)
-# Enthalpy of formation: -1910 kJ/mol
- -analytic -4.6981e+002 -1.6177e-001 2.0986e+004 1.8345e+002 3.2760e+002
-# -Range: 0-300
-
-UF6(g)
- UF6 +2.0000 H2O = + 1.0000 UO2++ + 4.0000 H+ + 6.0000 F-
- log_k 18.2536
- -delta_H -310.809 kJ/mol # Calculated enthalpy of reaction UF6(g)
-# Enthalpy of formation: -2148.6 kJ/mol
- -analytic -5.7661e+002 -2.0409e-001 2.7680e+004 2.2743e+002 4.3209e+002
-# -Range: 0-300
-
-UI(g)
- UI +1.0000 O2 = + 1.0000 I- + 1.0000 UO2+
- log_k 230.8161
- -delta_H -1410.9 kJ/mol # Calculated enthalpy of reaction UI(g)
-# Enthalpy of formation: 341 kJ/mol
- -analytic -3.5819e+001 -2.6631e-002 7.2899e+004 1.2133e+001 1.1375e+003
-# -Range: 0-300
-
-UI2(g)
- UI2 +1.0000 O2 = + 1.0000 UO2++ + 2.0000 I-
- log_k 194.5395
- -delta_H -1220.67 kJ/mol # Calculated enthalpy of reaction UI2(g)
-# Enthalpy of formation: 100 kJ/mol
- -analytic -3.3543e+002 -9.5116e-002 7.6218e+004 1.2543e+002 -6.8683e+005
-# -Range: 0-300
-
-UI3(g)
- UI3 = + 1.0000 U+++ + 3.0000 I-
- log_k 75.6033
- -delta_H -519.807 kJ/mol # Calculated enthalpy of reaction UI3(g)
-# Enthalpy of formation: -140 kJ/mol
- -analytic -2.6095e+002 -9.8782e-002 3.1972e+004 1.0456e+002 4.9897e+002
-# -Range: 0-300
-
-UI4(g)
- UI4 = + 1.0000 U++++ + 4.0000 I-
- log_k 64.3272
- -delta_H -510.01 kJ/mol # Calculated enthalpy of reaction UI4(g)
-# Enthalpy of formation: -308.8 kJ/mol
- -analytic -3.5645e+002 -1.3022e-001 3.3347e+004 1.4051e+002 5.2046e+002
-# -Range: 0-300
-
-UO(g)
- UO +2.0000 H+ +1.0000 O2 = + 1.0000 H2O + 1.0000 UO2++
- log_k 211.6585
- -delta_H -1323.2 kJ/mol # Calculated enthalpy of reaction UO(g)
-# Enthalpy of formation: 30.5 kJ/mol
- -analytic -1.8007e+002 -3.1985e-002 7.8469e+004 5.8892e+001 -6.8071e+005
-# -Range: 0-300
-
-UO2(g)
- UO2 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 UO2++
- log_k 125.6027
- -delta_H -820.972 kJ/mol # Calculated enthalpy of reaction UO2(g)
-# Enthalpy of formation: -477.8 kJ/mol
- -analytic -5.2789e+000 -3.5754e-003 4.2074e+004 -3.7117e+000 6.5653e+002
-# -Range: 0-300
-
-UO2Cl2(g)
- UO2Cl2 = + 1.0000 UO2++ + 2.0000 Cl-
- log_k 47.9630
- -delta_H -381.559 kJ/mol # Calculated enthalpy of reaction UO2Cl2(g)
-# Enthalpy of formation: -971.6 kJ/mol
- -analytic -1.8035e+002 -6.5574e-002 2.3064e+004 6.8894e+001 3.5994e+002
-# -Range: 0-300
-
-UO2F2(g)
- UO2F2 = + 1.0000 UO2++ + 2.0000 F-
- log_k 34.6675
- -delta_H -337.195 kJ/mol # Calculated enthalpy of reaction UO2F2(g)
-# Enthalpy of formation: -1352.5 kJ/mol
- -analytic -2.1498e+002 -6.9882e-002 2.1774e+004 7.9780e+001 3.3983e+002
-# -Range: 0-300
-
-UO3(g)
- UO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 UO2++
- log_k 70.9480
- -delta_H -505.638 kJ/mol # Calculated enthalpy of reaction UO3(g)
-# Enthalpy of formation: -799.2 kJ/mol
- -analytic -3.2820e+001 -2.6807e-003 2.6914e+004 5.7767e+000 4.1997e+002
-# -Range: 0-300
-
-UOF4(g)
- UOF4 +1.0000 H2O = + 1.0000 UO2++ + 2.0000 H+ + 4.0000 F-
- log_k 24.2848
- -delta_H -312.552 kJ/mol # Calculated enthalpy of reaction UOF4(g)
-# Enthalpy of formation: -1762 kJ/mol
- -analytic -3.9592e+002 -1.3699e-001 2.4127e+004 1.5359e+002 3.7660e+002
-# -Range: 0-300
-
-Xe(g)
- Xe = + 1.0000 Xe
- log_k -2.3640
- -delta_H -18.8698 kJ/mol # Calculated enthalpy of reaction Xe(g)
-# Enthalpy of formation: 0 kcal/mol
- -analytic -2.0636e+001 5.1389e-003 2.0490e+002 5.1913e+000 2.8556e+005
-# -Range: 0-300
-
-Zn(g)
- Zn +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Zn++
- log_k 85.4140
- -delta_H -563.557 kJ/mol # Calculated enthalpy of reaction Zn(g)
-# Enthalpy of formation: 130.4 kJ/mol
- -analytic -1.0898e+001 -3.9871e-003 2.9068e+004 0.0000e+000 0.0000e+000
-# -Range: 0-200
-
-Zr(g)
- Zr +4.0000 H+ +1.0000 O2 = + 1.0000 Zr++++ + 2.0000 H2O
- log_k 277.1324
- -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(g)
-# Enthalpy of formation: 608.948 kJ/mol
-
-ZrF4(g)
- ZrF4 = + 1.0000 Zr++++ + 4.0000 F-
- log_k 142.9515
- -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF4(g)
-# Enthalpy of formation: -858.24 kJ/mol
-
-EXCHANGE_MASTER_SPECIES
- X X-
-EXCHANGE_SPECIES
- X- = X-
- log_k 0.0
-
- Na+ + X- = NaX
- log_k 0.0
- -llnl_gamma 4.0
-
- K+ + X- = KX
- log_k 0.7
- -llnl_gamma 3.0
- delta_h -4.3 # Jardine & Sparks, 1984
-
- Li+ + X- = LiX
- log_k -0.08
- -llnl_gamma 6.0
- delta_h 1.4 # Merriam & Thomas, 1956
-
- NH4+ + X- = NH4X
- log_k 0.6
- -llnl_gamma 2.5
- delta_h -2.4 # Laudelout et al., 1968
-
- Ca+2 + 2X- = CaX2
- log_k 0.8
- -llnl_gamma 6.0
- delta_h 7.2 # Van Bladel & Gheyl, 1980
-
- Mg+2 + 2X- = MgX2
- log_k 0.6
- -llnl_gamma 8.0
- delta_h 7.4 # Laudelout et al., 1968
-
- Sr+2 + 2X- = SrX2
- log_k 0.91
- -llnl_gamma 5.0
- delta_h 5.5 # Laudelout et al., 1968
-
- Ba+2 + 2X- = BaX2
- log_k 0.91
- -llnl_gamma 5.0
- delta_h 4.5 # Laudelout et al., 1968
-
- Mn+2 + 2X- = MnX2
- log_k 0.52
- -llnl_gamma 6.0
-
- Fe+2 + 2X- = FeX2
- log_k 0.44
- -llnl_gamma 6.0
-
- Cu+2 + 2X- = CuX2
- log_k 0.6
- -llnl_gamma 6.0
-
- Zn+2 + 2X- = ZnX2
- log_k 0.8
- -llnl_gamma 6.0
-
- Cd+2 + 2X- = CdX2
- log_k 0.8
- -llnl_gamma 5.0
-
- Pb+2 + 2X- = PbX2
- log_k 1.05
- -llnl_gamma 4.5
-
- Al+3 + 3X- = AlX3
- log_k 0.41
- -llnl_gamma 9.0
-
- AlOH+2 + 2X- = AlOHX2
- log_k 0.89
- -llnl_gamma 4.5
-
-SURFACE_MASTER_SPECIES
- Hfo_s Hfo_sOH
- Hfo_w Hfo_wOH
-SURFACE_SPECIES
-# All surface data from
-# Dzombak and Morel, 1990
-#
-#
-# Acid-base data from table 5.7
-#
-# strong binding site--Hfo_s,
-
- Hfo_sOH = Hfo_sOH
- log_k 0.0
-
- Hfo_sOH + H+ = Hfo_sOH2+
- log_k 7.29 # = pKa1,int
-
- Hfo_sOH = Hfo_sO- + H+
- log_k -8.93 # = -pKa2,int
-
-# weak binding site--Hfo_w
-
- Hfo_wOH = Hfo_wOH
- log_k 0.0
-
- Hfo_wOH + H+ = Hfo_wOH2+
- log_k 7.29 # = pKa1,int
-
- Hfo_wOH = Hfo_wO- + H+
- log_k -8.93 # = -pKa2,int
-
-###############################################
-# CATIONS #
-###############################################
-#
-# Cations from table 10.1 or 10.5
-#
-# Calcium
- Hfo_sOH + Ca+2 = Hfo_sOHCa+2
- log_k 4.97
-
- Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+
- log_k -5.85
-# Strontium
- Hfo_sOH + Sr+2 = Hfo_sOHSr+2
- log_k 5.01
-
- Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+
- log_k -6.58
-
- Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+
- log_k -17.60
-# Barium
- Hfo_sOH + Ba+2 = Hfo_sOHBa+2
- log_k 5.46
-
- Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+
- log_k -7.2 # table 10.5
-#
-# Cations from table 10.2
-#
-# Cadmium
- Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+
- log_k 0.47
-
- Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+
- log_k -2.91
-# Zinc
- Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+
- log_k 0.99
-
- Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+
- log_k -1.99
-# Copper
- Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+
- log_k 2.89
-
- Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+
- log_k 0.6 # table 10.5
-# Lead
- Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+
- log_k 4.65
-
- Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+
- log_k 0.3 # table 10.5
-#
-# Derived constants table 10.5
-#
-# Magnesium
- Hfo_wOH + Mg+2 = Hfo_wOMg+ + H+
- log_k -4.6
-# Manganese
- Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+
- log_k -0.4 # table 10.5
-
- Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+
- log_k -3.5 # table 10.5
-# Iron
- Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+
- log_k 0.7 # LFER using table 10.5
-
- Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+
- log_k -2.5 # LFER using table 10.5
-
-###############################################
-# ANIONS #
-###############################################
-#
-# Anions from table 10.6
-#
-# Phosphate
- Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O
- log_k 31.29
-
- Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O
- log_k 25.39
-
- Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O
- log_k 17.72
-#
-# Anions from table 10.7
-#
-# Borate
- Hfo_wOH + B(OH)3 = Hfo_wH2BO3 + H2O
- log_k 0.62
-#
-# Anions from table 10.8
-#
-# Sulfate
- Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O
- log_k 7.78
-
- Hfo_wOH + SO4-2 = Hfo_wOHSO4-2
- log_k 0.79
-#
-# Derived constants table 10.10
-#
- Hfo_wOH + F- + H+ = Hfo_wF + H2O
- log_k 8.7
-
- Hfo_wOH + F- = Hfo_wOHF-
- log_k 1.6
-#
-# Carbonate: Van Geen et al., 1994 reoptimized for HFO
-# 0.15 g HFO/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L
-#
-# Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O
-# log_k 12.56
-#
-# Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O
-# log_k 20.62
-
-# 9/19/96
-# Added analytical expression for H2S, NH3, KSO4.
-# Added species CaHSO4+.
-# Added delta H for Goethite.
-
-RATES
-###########
-#K-feldspar
-###########
-#
-# Sverdrup and Warfvinge, 1995, Estimating field weathering rates
-# using laboratory kinetics: Reviews in mineralogy and geochemistry,
-# vol. 31, p. 485-541.
-#
-# As described in:
-# Appelo and Postma, 2005, Geochemistry, groundwater
-# and pollution, 2nd Edition: A.A. Balkema Publishers,
-# p. 162-163 and 395-399.
-#
-# Assume soil is 10% K-feldspar by mass in 1 mm spheres (radius 0.5 mm)
-# Assume density of rock and Kspar is 2600 kg/m^3 = 2.6 kg/L
-# GFW Kspar 0.278 kg/mol
-#
-# Moles of Kspar per liter pore space calculation:
-# Mass of rock per liter pore space = 0.7*2.6/0.3 = 6.07 kg rock/L pore space
-# Mass of Kspar per liter pore space 6.07x0.1 = 0.607 kg Kspar/L pore space
-# Moles of Kspar per liter pore space 0.607/0.278 = 2.18 mol Kspar/L pore space
-#
-# Specific area calculation:
-# Volume of sphere 4/3 x pi x r^3 = 5.24e-13 m^3 Kspar/sphere
-# Mass of sphere 2600 x 5.24e-13 = 1.36e-9 kg Kspar/sphere
-# Moles of Kspar in sphere 1.36e-9/0.278 = 4.90e-9 mol Kspar/sphere
-# Surface area of one sphere 4 x pi x r^2 = 3.14e-8 m^2/sphere
-# Specific area of K-feldspar in sphere 3.14e-8/4.90e-9 = 6.41 m^2/mol Kspar
-#
-#
-# Example of KINETICS data block for K-feldspar rate:
-# KINETICS 1
-# K-feldspar
-# -m0 2.18 # 10% Kspar, 0.1 mm cubes
-# -m 2.18 # Moles per L pore space
-# -parms 6.41 0.1 # m^2/mol Kspar, fraction adjusts lab rate to field rate
-# -time 1.5 year in 40
-
-K-feldspar
- -start
-1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
-2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar
-3 REM PARM(2) = Adjusts lab rate to field rate
-4 REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
-5 REM K-Feldspar parameters
-10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3
-20 RESTORE 10
-30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
-40 DATA 3500, 2000, 2500, 2000
-50 RESTORE 40
-60 READ e_H, e_H2O, e_OH, e_CO2
-70 pk_CO2 = 13
-80 n_CO2 = 0.6
-100 REM Generic rate follows
-110 dif_temp = 1/TK - 1/281
-120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
-130 REM rate by H+
-140 pk_H = pk_H + e_H * dif_temp
-150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
-160 REM rate by hydrolysis
-170 pk_H2O = pk_H2O + e_H2O * dif_temp
-180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC)
-190 REM rate by OH-
-200 pk_OH = pk_OH + e_OH * dif_temp
-210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH
-220 REM rate by CO2
-230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp
-240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2
-250 rate = rate_H + rate_H2O + rate_OH + rate_CO2
-260 area = PARM(1) * M0 *(M/M0)^0.67
-270 rate = PARM(2) * area * rate * (1-SR("K-feldspar"))
-280 moles = rate * TIME
-290 SAVE moles
- -end
-
-
-###########
-#Albite
-###########
-#
-# Sverdrup and Warfvinge, 1995, Estimating field weathering rates
-# using laboratory kinetics: Reviews in mineralogy and geochemistry,
-# vol. 31, p. 485-541.
-#
-# As described in:
-# Appelo and Postma, 2005, Geochemistry, groundwater
-# and pollution, 2nd Edition: A.A. Balkema Publishers,
-# p. 162-163 and 395-399.
-#
-# Example of KINETICS data block for Albite rate:
-# KINETICS 1
-# Albite
-# -m0 0.46 # 2% Albite, 0.1 mm cubes
-# -m 0.46 # Moles per L pore space
-# -parms 6.04 0.1 # m^2/mol Albite, fraction adjusts lab rate to field rate
-# -time 1.5 year in 40
-#
-# Assume soil is 2% Albite by mass in 1 mm spheres (radius 0.5 mm)
-# Assume density of rock and Albite is 2600 kg/m^3 = 2.6 kg/L
-# GFW Albite 0.262 kg/mol
-#
-# Moles of Albite per liter pore space calculation:
-# Mass of rock per liter pore space = 0.7*2.6/0.3 = 6.07 kg rock/L pore space
-# Mass of Albite per liter pore space 6.07x0.02 = 0.121 kg Albite/L pore space
-# Moles of Albite per liter pore space 0.607/0.262 = 0.46 mol Albite/L pore space
-#
-# Specific area calculation:
-# Volume of sphere 4/3 x pi x r^3 = 5.24e-13 m^3 Albite/sphere
-# Mass of sphere 2600 x 5.24e-13 = 1.36e-9 kg Albite/sphere
-# Moles of Albite in sphere 1.36e-9/0.278 = 5.20e-9 mol Albite/sphere
-# Surface area of one sphere 4 x pi x r^2 = 3.14e-8 m^2/sphere
-# Specific area of Albite in sphere 3.14e-8/4.90e-9 = 6.04 m^2/mol Albite
-
-Albite
- -start
-1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
-2 REM PARM(1) = Specific area of Albite m^2/mol Albite
-3 REM PARM(2) = Adjusts lab rate to field rate
-4 REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
-5 REM Albite parameters
-10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3
-20 RESTORE 10
-30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
-40 DATA 3500, 2000, 2500, 2000
-50 RESTORE 40
-60 READ e_H, e_H2O, e_OH, e_CO2
-70 pk_CO2 = 13
-80 n_CO2 = 0.6
-100 REM Generic rate follows
-110 dif_temp = 1/TK - 1/281
-120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
-130 REM rate by H+
-140 pk_H = pk_H + e_H * dif_temp
-150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
-160 REM rate by hydrolysis
-170 pk_H2O = pk_H2O + e_H2O * dif_temp
-180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC)
-190 REM rate by OH-
-200 pk_OH = pk_OH + e_OH * dif_temp
-210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH
-220 REM rate by CO2
-230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp
-240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2
-250 rate = rate_H + rate_H2O + rate_OH + rate_CO2
-260 area = PARM(1) * M0 *(M/M0)^0.67
-270 rate = PARM(2) * area * rate * (1-SR("Albite"))
-280 moles = rate * TIME
-290 SAVE moles
- -end
-
-########
-#Calcite
-########
-# Example of KINETICS data block for calcite rate,
-# in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257.
-# KINETICS 1
-# Calcite
-# -tol 1e-8
-# -m0 3.e-3
-# -m 3.e-3
-# -parms 1.67e5 0.6 # cm^2/mol calcite, exp factor
-# -time 1 day
-
-Calcite
- -start
-1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite
-2 REM PARM(2) = exponent for M/M0
-
-10 si_cc = SI("Calcite")
-20 IF (M <= 0 and si_cc < 0) THEN GOTO 200
-30 k1 = 10^(0.198 - 444.0 / TK )
-40 k2 = 10^(2.84 - 2177.0 /TK )
-50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317.0 / TK)
-60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737.0 / TK )
-80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M
-110 rate = area * (k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O"))
-120 rate = rate * (1 - 10^(2/3*si_cc))
-130 moles = rate * 0.001 * TIME # convert from mmol to mol
-200 SAVE moles
- -end
-
-#######
-#Pyrite
-#######
-#
-# Williamson, M.A. and Rimstidt, J.D., 1994,
-# Geochimica et Cosmochimica Acta, v. 58, p. 5443-5454,
-# rate equation is mol m^-2 s^-1.
-#
-# Example of KINETICS data block for pyrite rate:
-# KINETICS 1
-# Pyrite
-# -tol 1e-8
-# -m0 5.e-4
-# -m 5.e-4
-# -parms 0.3 0.67 .5 -0.11
-# -time 1 day in 10
-Pyrite
- -start
-1 REM Williamson and Rimstidt, 1994
-2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite)
-3 REM PARM(2) = exp for (M/M0)
-4 REM PARM(3) = exp for O2
-5 REM PARM(4) = exp for H+
-
-10 REM Dissolution in presence of DO
-20 if (M <= 0) THEN GOTO 200
-30 if (SI("Pyrite") >= 0) THEN GOTO 200
-40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+")
-50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0)
-60 moles = 10^(log_area + log_rate) * TIME
-200 SAVE moles
- -end
-
-##########
-#Organic_C
-##########
-#
-# Example of KINETICS data block for SOC (sediment organic carbon):
-# KINETICS 1
-# Organic_C
-# -formula C
-# -tol 1e-8
-# -m 5e-3 # SOC in mol
-# -time 30 year in 15
-Organic_C
- -start
-1 REM Additive Monod kinetics for SOC (sediment organic carbon)
-2 REM Electron acceptors: O2, NO3, and SO4
-
-10 if (M <= 0) THEN GOTO 200
-20 mO2 = MOL("O2")
-30 mNO3 = TOT("N(5)")
-40 mSO4 = TOT("S(6)")
-50 k_O2 = 1.57e-9 # 1/sec
-60 k_NO3 = 1.67e-11 # 1/sec
-70 k_SO4 = 1.e-13 # 1/sec
-80 rate = k_O2 * mO2/(2.94e-4 + mO2)
-90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3)
-100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4)
-110 moles = rate * M * (M/M0) * TIME
-200 SAVE moles
- -end
-
-###########
-#Pyrolusite
-###########
-#
-# Postma, D. and Appelo, C.A.J., 2000, GCA, vol. 64, pp. 1237-1247.
-# Rate equation given as mol L^-1 s^-1
-#
-# Example of KINETICS data block for Pyrolusite
-# KINETICS 1-12
-# Pyrolusite
-# -tol 1.e-7
-# -m0 0.1
-# -m 0.1
-# -time 0.5 day in 10
-Pyrolusite
- -start
-10 if (M <= 0) THEN GOTO 200
-20 sr_pl = SR("Pyrolusite")
-30 if (sr_pl > 1) THEN GOTO 100
-40 REM sr_pl <= 1, undersaturated
-50 Fe_t = TOT("Fe(2)")
-60 if Fe_t < 1e-8 then goto 200
-70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl)
-80 GOTO 200
-100 REM sr_pl > 1, supersaturated
-110 moles = 2e-3 * 6.98e-5 * (1 - sr_pl) * TIME
-200 SAVE moles * SOLN_VOL
- -end
-END
-
diff --git a/Tests/Data/PhreeqcDatabase/llnl.dat b/Tests/Data/PhreeqcDatabase/llnl.dat
new file mode 120000
index 00000000000..c4bca830472
--- /dev/null
+++ b/Tests/Data/PhreeqcDatabase/llnl.dat
@@ -0,0 +1 @@
+../../../ThirdParty/iphreeqc/src/database/llnl.dat
\ No newline at end of file
diff --git a/Tests/Data/PhreeqcDatabase/minteq.dat b/Tests/Data/PhreeqcDatabase/minteq.dat
deleted file mode 100644
index d2c706534fa..00000000000
--- a/Tests/Data/PhreeqcDatabase/minteq.dat
+++ /dev/null
@@ -1,5650 +0,0 @@
-# $Id: minteq.dat 11091 2016-04-21 15:20:05Z dlpark $
-SOLUTION_MASTER_SPECIES
-#######################################################
-# essential definitions
-#######################################################
-Alkalinity CO3-2 2.0 61.0173 61.0173
-E e- 0 0 0
-H H+ -1. 1.008 1.008
-H(0) H2 0.0 1.008
-H(1) H+ -1. 1.008
-O H2O 0 16.00 16.00
-O(-2) H2O 0 16.00 16.00
-O(0) O2 0 16.00 16.00
-#######################################################
-Ag Ag+ 0 107.868 107.868
-Al Al+3 0 26.9815 26.9815
-As H3AsO4 -1.0 74.9216 74.9216
-As(+3) H3AsO3 0.0 74.9216
-As(+5) H3AsO4 -1.0 74.9216
-B H3BO3 0.0 10.81 10.81
-Ba Ba+2 0 137.34 137.34
-Be Be+2 0 9.0122 9.0122
-Br Br- 0 79.904 79.904
-C CO3-2 2.0 61.0173 12.0111
-C(+4) CO3-2 2.0 61.0173
-#C(-4) CH4 0.0 16.042
-Cyanide Cyanide- 0 26.018 26.018
-Cyanate Cyanate- 0 42.017 42.017
-#DOM DOM-2.8 0 0 0
-#ClIG2 ClIG2 0 0 0
-Ca Ca+2 0 40.08 40.08
-Cd Cd+2 0 112.399 112.399
-Cl Cl- 0 35.453 35.453
-Cr CrO4-2 1 51.996 51.996
-Cr(2) Cr+2 0 51.996
-Cr(3) Cr(OH)2+ 1 51.996
-Cr(6) CrO4-2 1 51.996
-Cu Cu+2 0 63.546 63.546
-Cu(1) Cu+ 0 63.546
-Cu(2) Cu+2 0 63.546
-F F- 0 18.9984 18.9984
-Fe Fe+3 0.0 55.847 55.847
-Fe(+2) Fe+2 0.0 55.847
-Fe(+3) Fe+3 -2.0 55.847
-Hg Hg(OH)2 0 200.59 200.59
-Hg(2) Hg(OH)2 0 200.59
-Hg(1) Hg2+2 0 200.59
-Hg(0) Hg 0 200.59
-I I- 0 126.904 126.904
-K K+ 0 39.102 39.102
-Li Li+ 0 6.939 6.939
-Mg Mg+2 0 24.312 24.312
-Mn Mn+3 0.0 54.938 54.938
-Mn(2) Mn+2 0.0 54.938
-Mn(3) Mn+3 0.0 54.938
-Mn(6) MnO4-2 0.0 54.938
-Mn(7) MnO4- 0.0 54.938
-N NO3- 0.0 14.0067 14.0067
-N(-3) NH4+ 0.0 14.0067
-#N(0) N2 0.0 14.0067
-N(+3) NO2- 0.0 14.0067
-N(+5) NO3- 0.0 14.0067
-Na Na+ 0 22.9898 22.9898
-Ni Ni+2 0 58.71 58.71
-P PO4-3 2.0 30.9738 30.9738
-Pb Pb+2 0 207.19 207.19
-Rb Rb+ 0 85.4699 85.4699
-S SO4-2 0.0 96.0616 32.064
-S(-2) HS- 1.0 32.064
-S(6) SO4-2 0.0 96.0616
-Sb Sb(OH)6- 0. Sb 121.75
-Sb(3) Sb(OH)3 0. Sb
-Sb(5) Sb(OH)6- 0 Sb
-Se SeO4-2 0.0 78.96 78.96
-Se(-2) HSe- 0.0 78.96
-Se(4) SeO3-2 0.0 78.96
-Se(6) SeO4-2 0.0 78.96
-Si H4SiO4 0 96.1155 28.0843
-Sr Sr+2 0 87.62 87.62
-Tl Tl(OH)3 0 204.37 204.37
-Tl(1) Tl+ 0 204.37
-Tl(3) Tl(OH)3 0 204.37
-U UO2+2 0.0 238.0290 238.0290
-U(3) U+3 0.0 238.0290
-U(4) U+4 0.0 238.0290
-U(5) UO2+ 0.0 238.0290
-U(6) UO2+2 0.0 238.0290
-V VO2+ -2.0 50.94 50.94
-V(2) V+2 0 50.94
-V(3) V+3 -3.0 50.94
-V(4) VO+2 0 50.94
-V(5) VO2+ -2.0 50.94
-Zn Zn+2 0 65.37 65.37
-Benzoate Benzoate- 0 121.12 121.12
-Para_acetate Para_acetate- 1 134.14 134.14
-Isophthalate Isophthalate-2 1 164.12 164.12
-Diethylamine Diethylamine 0 73 73
-Nbutylamine Nbutylamine 1 73 73
-Methylamine Methylamine 1 31.018 31.018
-Dimethylamine Dimethylamine 1 45.028 45.028
-Tributylphosphate Tributylphosphate 0 265.97 265.97
-Hexylamine Hexylamine 1 101 101
-Ethylenediamine Ethylenediamine 2 60.12 60.12
-Npropylamine Npropylamine 1 59.04 59.04
-Isopropylamine Isopropylamine 1 59.04 59.04
-Trimethylamine Trimethylamine 1 59.04 59.04
-Citrate Citrate-3 2 189.06 189.06
-Nta Nta-3 1 188.06 188.06
-Edta Edta-4 2 276 276
-Propanoate Propanoate- 1 73.032 73.032
-Butanoate Butanoate- 0 87.043 87.043
-Isobutyrate Isobutyrate- 1 87.043 87.043
-Two_methylpyridine Two_methylpyridine 1 94 94
-Three_methylpyridine Three_methylpyridine 1 94 94
-Four_methylpyridine Four_methylpyridine 1 94 94
-Formate Formate- 0 45.02 45.02
-Isovalerate Isovalerate- 1 101.13 101.13
-Valerate Valerate- 1 101.13 101.13
-Acetate Acetate- 1 59.05 59.05
-Tartrate Tartrate-2 0 148.09 148.09
-Glycine Glycine- 1 74.07 74.07
-Salicylate Salicylate-2 1 136.12 136.12
-Glutamate Glutamate-2 1 145.13 145.13
-Phthalate Phthalate-2 1 164.13 164.13
-SOLUTION_SPECIES
-#######################################################
-# essential definitions
-#######################################################
-e- = e-
- log_k 0
- delta_h 0 kcal
-H+ = H+
- log_k 0
- delta_h 0 kcal
- -gamma 9.0 0.0
-H2O = H2O
- log_k 0
- delta_h 0 kcal
-2H2O = O2 + 4H+ + 4e-
- log_k -86.08
- delta_h 134.79 kcal
-2 H+ + 2 e- = H2
- log_k -3.15
- delta_h -1.759 kcal
-CO3-2 = CO3-2
- log_k 0
- delta_h 0 kcal
- -gamma 5.4 0.0
-#######################################################
-Ag+ = Ag+
- log_k 0
- delta_h 0 kcal
-Al+3 = Al+3
- log_k 0
- delta_h 0 kcal
- -gamma 9.0 0.0
-H3AsO4 = H3AsO4
- log_k 0
- delta_h 0 kcal
-H3AsO4 + 2e- + 2H+ = H3AsO3 + H2O
- log_k 19.444
- delta_h -30.015 kcal
-H3BO3 = H3BO3
- log_k 0
- delta_h 0 kcal
-Ba+2 = Ba+2
- log_k 0
- delta_h 0 kcal
- -gamma 5.0 0.0
-Be+2 = Be+2
- log_k 0
- delta_h 0 kcal
-Br- = Br-
- log_k 0
- delta_h 0 kcal
- -gamma 4.0 0.0
-Cyanide- = Cyanide-
- log_k 0
- delta_h 0 kcal
-Cyanate- = Cyanate-
- log_k 0
- delta_h 0 kcal
-Ca+2 = Ca+2
- log_k 0
- delta_h 0 kcal
- -gamma 6.0 .165
-Cd+2 = Cd+2
- log_k 0
- delta_h 0 kcal
-Cl- = Cl-
- log_k 0
- delta_h 0 kcal
- -gamma 3.0 .015
-CrO4-2 = CrO4-2
- log_k 0
- delta_h 0 kcal
- -gamma 4.0 0.0
-Cr(OH)2+ + 2H+ + e- = Cr+2 + 2H2O
- log_k 2.947
- delta_h 6.36 kcal
-CrO4-2 + 6H+ + 3e- = Cr(OH)2+ + 2H2O
- log_k 67.376
- delta_h -103 kcal
-Cu+2 = Cu+2
- log_k 0
- delta_h 0 kcal
- -gamma 2.5 0.0
-Cu+2 + e- = Cu+
- log_k 2.72
- delta_h 1.65 kcal
- -gamma 2.5 0.0
-F- = F-
- log_k 0
- delta_h 0 kcal
- -gamma 3.5 0.0
-Fe+3 = Fe+3
- log_k 0
- delta_h 0 kcal
- -gamma 9.0 0.0
-Fe+3 + e- = Fe+2
- log_k 13.032
- delta_h -10 kcal
- -gamma 6.0 0.0
-Hg(OH)2 = Hg(OH)2
- log_k 0
- delta_h 0 kcal
-2Hg(OH)2 + 4H+ + 2e- = Hg2+2 + 4H2O
- log_k 42.987
- delta_h -63.59 kcal
- -gamma 4.0 0.0
-0.5Hg2+2 + e- = Hg
- log_k 6.9316
- delta_h -16.605 kcal
-I- = I-
- log_k 0
- delta_h 0 kcal
-K+ = K+
- log_k 0
- delta_h 0 kcal
- -gamma 3.0 .015
-Li+ = Li+
- log_k 0
- delta_h 0 kcal
- -gamma 6.0 0.0
-Mg+2 = Mg+2
- log_k 0
- delta_h 0 kcal
- -gamma 6.5 .20
-Mn+2 + 4H2O = MnO4- + 8H+ + 5e-
- log_k -127.824
- delta_h 176.62 kcal
- -gamma 3.0 0
-Mn+2 + 4H2O = MnO4-2 + 8H+ + 4e-
- log_k -118.44
- delta_h 150.02 kcal
- -gamma 5.0 0
-Mn+3 = Mn+3
- log_k 0
- delta_h 0 kcal
- -gamma 9.0 0.0
-Mn+3 + e- = Mn+2
- log_k 25.507
- delta_h 25.76 kcal
- -gamma 6.0 0.0
-NO3- = NO3-
- log_k 0
- delta_h 0 kcal
- -gamma 3.0 0.0
-NO3- + 2H+ + 2e- = NO2- + H2O
- log_k 28.57
- delta_h -43.76 kcal
-NO3- + 10H+ + 8e- = NH4+ + 3H2O
- log_k 119.077
- delta_h -187.055 kcal
- -gamma 2.5 0.0
-Na+ = Na+
- log_k 0
- delta_h 0 kcal
- -gamma 4.0 .075
-Ni+2 = Ni+2
- log_k 0
- delta_h 0 kcal
-PO4-3 = PO4-3
- log_k 0
- delta_h 0 kcal
- -gamma 5.0 0.0
-Pb+2 = Pb+2
- log_k 0
- delta_h 0 kcal
-Rb+ = Rb+
- log_k 0
- delta_h 0 kcal
-SO4-2 = SO4-2
- log_k 0
- delta_h 0 kcal
- -gamma 4.0 -.04
-SO4-2 + 9H+ + 8e- = HS- + 4H2O
- log_k 33.66
- delta_h -60.14 kcal
- -gamma 3.5 0.0
-Sb(OH)6- = Sb(OH)6-
- log_k 0
- delta_h 0 kcal
-Sb(OH)6- + 2e- + 3H+ = Sb(OH)3 + 3H2O
- log_k 25.7791
- delta_h 0 kcal
-SeO4-2 = SeO4-2
- log_k 0
- delta_h 0 kcal
- -gamma 4.0 0.0
-HSeO3- + 6e- + 6H+ = HSe- + 3H2O
- log_k 35.38
- delta_h -78.17 kcal
-SeO4-2 + 2e- + 3H+ = HSeO3- + H2O
- log_k 36.319
- delta_h -48.095 kcal
-H4SiO4 = H4SiO4
- log_k 0
- delta_h 0 kcal
-Sr+2 = Sr+2
- log_k 0
- delta_h 0 kcal
- -gamma 5.0 0.0
-Tl(OH)3 = Tl(OH)3
- log_k 0
- delta_h 0 kcal
-Tl(OH)3 + 2e- + 3H+ = Tl+ + 3H2O
- log_k 48.0178
- delta_h 0 kcal
-UO2+2 = UO2+2
- log_k 0
- delta_h 0 kcal
-UO2+2 + e- = UO2+
- log_k 2.785
- delta_h -3.3 kcal
-UO2+2 + 2e- + 4H+ = U+4 + 2H2O
- log_k 9.216
- delta_h -34.43 kcal
-UO2+2 + 3e- + 4H+ = U+3 + 2H2O
- log_k 0.42
- delta_h -10.03 kcal
-VO2+ = VO2+
- log_k 0
- delta_h 0 kcal
-VO2+ + e- + 2H+ = VO+2 + H2O
- log_k 16.93
- delta_h -29.32 kcal
-VO2+ + 2e- + 4H+ = V+3 + 2H2O
- log_k 22.61
- delta_h -44.23 kcal
-VO2+ + 3e- + 4H+ = V+2 + 2H2O
- log_k 18.38
- delta_h -35.33 kcal
-Zn+2 = Zn+2
- log_k 0
- delta_h 0 kcal
- -gamma 6.0 0.0
-Benzoate- = Benzoate-
- log_k 0
- delta_h 0 kcal
-Para_acetate- = Para_acetate-
- log_k 0
- delta_h 0 kcal
-Isophthalate-2 = Isophthalate-2
- log_k 0
- delta_h 0 kcal
-Diethylamine = Diethylamine
- log_k 0
- delta_h 0 kcal
-Nbutylamine = Nbutylamine
- log_k 0
- delta_h 0 kcal
-Methylamine = Methylamine
- log_k 0
- delta_h 0 kcal
-Dimethylamine = Dimethylamine
- log_k 0
- delta_h 0 kcal
-Tributylphosphate = Tributylphosphate
- log_k 0
- delta_h 0 kcal
-Hexylamine = Hexylamine
- log_k 0
- delta_h 0 kcal
-Ethylenediamine = Ethylenediamine
- log_k 0
- delta_h 0 kcal
-Npropylamine = Npropylamine
- log_k 0
- delta_h 0 kcal
-Isopropylamine = Isopropylamine
- log_k 0
- delta_h 0 kcal
-Trimethylamine = Trimethylamine
- log_k 0
- delta_h 0 kcal
-Citrate-3 = Citrate-3
- log_k 0
- delta_h 0 kcal
-Nta-3 = Nta-3
- log_k 0
- delta_h 0 kcal
-Edta-4 = Edta-4
- log_k 0
- delta_h 0 kcal
-Propanoate- = Propanoate-
- log_k 0
- delta_h 0 kcal
-Butanoate- = Butanoate-
- log_k 0
- delta_h 0 kcal
-Isobutyrate- = Isobutyrate-
- log_k 0
- delta_h 0 kcal
-Two_methylpyridine = Two_methylpyridine
- log_k 0
- delta_h 0 kcal
-Three_methylpyridine = Three_methylpyridine
- log_k 0
- delta_h 0 kcal
-Four_methylpyridine = Four_methylpyridine
- log_k 0
- delta_h 0 kcal
-Formate- = Formate-
- log_k 0
- delta_h 0 kcal
-Isovalerate- = Isovalerate-
- log_k 0
- delta_h 0 kcal
-Valerate- = Valerate-
- log_k 0
- delta_h 0 kcal
-Acetate- = Acetate-
- log_k 0
- delta_h 0 kcal
-Tartrate-2 = Tartrate-2
- log_k 0
- delta_h 0 kcal
-Glycine- = Glycine-
- log_k 0
- delta_h 0 kcal
-Salicylate-2 = Salicylate-2
- log_k 0
- delta_h 0 kcal
-Glutamate-2 = Glutamate-2
- log_k 0
- delta_h 0 kcal
-Phthalate-2 = Phthalate-2
- log_k 0
- delta_h 0 kcal
-SOLUTION_SPECIES
-H2O = OH- + H+
- log_k -13.998
- delta_h 13.345 kcal
- -gamma 3.5 0
-H4SiO4 = H3SiO4- + H+
- log_k -9.93
- delta_h 8.935 kcal
- -gamma 4 0
- -analytical 6.368 -0.016346 -3405.9
-H4SiO4 = H2SiO4-2 + 2H+
- log_k -21.619
- delta_h 29.714 kcal
- -gamma 5.4 0
- -analytical 39.478 -0.065927 -12355.1
-H4SiO4 + 6F- + 4H+ = SiF6-2 + 4H2O
- log_k 30.18
- delta_h -16.26 kcal
- -gamma 5 0
-H3BO3 = H2BO3- + H+
- log_k -9.24
- delta_h 3.224 kcal
- -gamma 2.5 0
- -analytical 24.3919 0.012078 -1343.9 -13.2258
-H3BO3 + F- = BF(OH)3-
- log_k -0.399
- delta_h 1.85 kcal
- -gamma 2.5 0
-H3BO3 + 2F- + H+ = BF2(OH)2- + H2O
- log_k 7.63
- delta_h 1.635 kcal
- -gamma 2.5 0
-H3BO3 + 3F- + 2H+ = BF3OH- + 2H2O
- log_k 13.667
- delta_h -1.58 kcal
- -gamma 2.5 0
-H3BO3 + 4F- + 3H+ = BF4- + 3H2O
- log_k 20.274
- delta_h -1.795 kcal
- -gamma 2.5 0
-NH4+ = NH3 + H+
- log_k -9.252
- delta_h 12.48 kcal
- -analytical 0.6322 -0.001225 -2835.76
-NH4+ + SO4-2 = NH4SO4-
- log_k 1.11
- delta_h 0 kcal
- -gamma 5 0
-Mg+2 + H2O = MgOH+ + H+
- log_k -11.79
- delta_h 15.935 kcal
- -gamma 6.5 0
- -analytical -3.53 0.00513 -2917.1
-Mg+2 + F- = MgF+
- log_k 1.82
- delta_h 4.674 kcal
- -gamma 4.5 0
-Mg+2 + CO3-2 = MgCO3
- log_k 2.98
- delta_h 2.022 kcal
- -analytical 0.991 0.00667
-Mg+2 + CO3-2 + H+ = MgHCO3+
- log_k 11.4
- delta_h -2.43 kcal
- -gamma 4 0
-# Minteq a_e has more constants than phreeqc, can not use
-# -analytical_expression -4.179 0.012734 2902.39 0.0 2.29812E-5
-Mg+2 + SO4-2 = MgSO4
- log_k 2.25
- delta_h 1.399 kcal
-Mg+2 + PO4-3 = MgPO4-
- log_k 6.589
- delta_h 3.1 kcal
- -gamma 5.4 0
-Mg+2 + PO4-3 + 2H+ = MgH2PO4+
- log_k 21.066
- delta_h -1.12 kcal
- -gamma 5.4 0
-Mg+2 + PO4-3 + H+ = MgHPO4
- log_k 15.22
- delta_h -0.23 kcal
-Ca+2 + H2O = CaOH+ + H+
- log_k -12.598
- delta_h 14.535 kcal
- -gamma 6 0
-Ca+2 + CO3-2 + H+ = CaHCO3+
- log_k 11.33
- delta_h 1.79 kcal
- -gamma 6 0
- -analytical -9.448 0.03709 2902.39
-Ca+2 + CO3-2 = CaCO3
- log_k 3.15
- delta_h 4.03 kcal
- -analytical -27.393 0.05617 4114.0
-Ca+2 + SO4-2 = CaSO4
- log_k 2.309
- delta_h 1.47 kcal
-Ca+2 + PO4-3 + H+ = CaHPO4
- log_k 15.085
- delta_h -0.23 kcal
-Ca+2 + PO4-3 = CaPO4-
- log_k 6.459
- delta_h 3.1 kcal
- -gamma 5.4 0
-Ca+2 + PO4-3 + 2H+ = CaH2PO4+
- log_k 20.96
- delta_h -1.12 kcal
- -gamma 5.4 0
-Ca+2 + F- = CaF+
- log_k 0.94
- delta_h 3.798 kcal
- -gamma 5 0
-Na+ + CO3-2 = NaCO3-
- log_k 1.268
- delta_h 8.911 kcal
- -gamma 5.4 0
-Na+ + CO3-2 + H+ = NaHCO3
- log_k 10.08
- delta_h 0 kcal
-Na+ + SO4-2 = NaSO4-
- log_k 0.7
- delta_h 1.12 kcal
- -gamma 5.4 0
-Na+ + PO4-3 + H+ = NaHPO4-
- log_k 12.636
- delta_h 0 kcal
- -gamma 5.4 0
-Na+ + F- = NaF
- log_k -0.79
- delta_h 0 kcal
-K+ + SO4-2 = KSO4-
- log_k 0.85
- delta_h 2.25 kcal
- -gamma 5.4 0
- -analytical 3.106 0.00 -673.6
-K+ + PO4-3 + H+ = KHPO4-
- log_k 12.64
- -gamma 5.4 0
- delta_h 0 kcal
-Al+3 + H2O = AlOH+2 + H+
- log_k -4.99
- delta_h 11.899 kcal
- -gamma 5.4 0
-Al+3 + 2H2O = Al(OH)2+ + 2H+
- log_k -10.1
- delta_h 0 kcal
- -gamma 5.4 0
-Al+3 + 4H2O = Al(OH)4- + 4H+
- log_k -23
- delta_h 44.06 kcal
- -gamma 4.5 0
-Al+3 + F- = AlF+2
- log_k 7.01
- delta_h 0 kcal
- -gamma 5.4 0
-Al+3 + 2F- = AlF2+
- log_k 12.75
- delta_h 20 kcal
- -gamma 5.4 0
-Al+3 + 3F- = AlF3
- log_k 17.02
- delta_h 2.5 kcal
-Al+3 + 4F- = AlF4-
- log_k 19.72
- delta_h 0 kcal
- -gamma 4.5 0
-Al+3 + SO4-2 = AlSO4+
- log_k 3.02
- delta_h 2.15 kcal
- -gamma 4.5 0
-Al+3 + 2SO4-2 = Al(SO4)2-
- log_k 4.92
- delta_h 2.84 kcal
- -gamma 4.5 0
-Al+3 + 3H2O = Al(OH)3 + 3H+
- log_k -16
- delta_h 0 kcal
-Fe+2 + H2O = FeOH+ + H+
- log_k -9.5
- delta_h 13.199 kcal
- -gamma 5 0
-Fe+2 + 3H2O = Fe(OH)3- + 3H+
- log_k -31
- delta_h 30.3 kcal
- -gamma 5 0
-Fe+2 + SO4-2 = FeSO4
- log_k 2.25
- delta_h 3.23 kcal
-Fe+2 + PO4-3 + 2H+ = FeH2PO4+
- log_k 22.253
- delta_h 0 kcal
- -gamma 5.4 0
-Fe+2 + 2H2O = Fe(OH)2 + 2H+
- log_k -20.57
- delta_h 28.565 kcal
-Fe+2 + PO4-3 + H+ = FeHPO4
- log_k 15.95
- delta_h 0 kcal
-Fe+2 + 2HS- = Fe(HS)2
- log_k 8.95
- delta_h 0 kcal
-Fe+2 + 3HS- = Fe(HS)3-
- log_k 10.987
- delta_h 0 kcal
-Fe+3 + H2O = FeOH+2 + H+
- log_k -2.19
- delta_h 10.399 kcal
- -gamma 5 0
-Fe+3 + PO4-3 + H+ = FeHPO4+
- log_k 17.78
- delta_h -7.3 kcal
- -gamma 5.4 0
-Fe+3 + SO4-2 = FeSO4+
- log_k 3.92
- delta_h 3.91 kcal
- -gamma 5 0
-Fe+3 + Cl- = FeCl+2
- log_k 1.48
- delta_h 5.6 kcal
- -gamma 5 0
-Fe+3 + 2Cl- = FeCl2+
- log_k 2.13
- delta_h 0 kcal
- -gamma 5 0
-Fe+3 + 3Cl- = FeCl3
- log_k 1.13
- delta_h 0 kcal
-Fe+3 + 2H2O = Fe(OH)2+ + 2H+
- log_k -5.67
- delta_h 0 kcal
- -gamma 5.4 0
-Fe+3 + 3H2O = Fe(OH)3 + 3H+
- log_k -13.6
- delta_h 0 kcal
-Fe+3 + 4H2O = Fe(OH)4- + 4H+
- log_k -21.6
- delta_h 0 kcal
- -gamma 5.4 0
-Fe+3 + PO4-3 + 2H+ = FeH2PO4+2
- log_k 24.98
- delta_h 0 kcal
- -gamma 5.4 0
-Fe+3 + F- = FeF+2
- log_k 6.199
- delta_h 2.699 kcal
- -gamma 5 0
-Fe+3 + 2F- = FeF2+
- log_k 10.8
- delta_h 4.8 kcal
- -gamma 5 0
-Fe+3 + 3F- = FeF3
- log_k 14
- delta_h 5.399 kcal
-Fe+3 + 2SO4-2 = Fe(SO4)2-
- log_k 5.42
- delta_h 4.6 kcal
-2Fe+3 + 2H2O = Fe2(OH)2+4 + 2H+
- log_k -2.95
- delta_h 13.5 kcal
-3Fe+3 + 4H2O = Fe3(OH)4+5 + 4H+
- log_k -6.3
- delta_h 14.3 kcal
-Li+ + SO4-2 = LiSO4-
- log_k 0.64
- delta_h 0 kcal
- -gamma 5 0
-Sr+2 + H2O = SrOH+ + H+
- log_k -13.178
- delta_h 14.495 kcal
- -gamma 5 0
-Ba+2 + H2O = BaOH+ + H+
- log_k -13.358
- delta_h 15.095 kcal
- -gamma 5 0
-Mn+2 + Cl- = MnCl+
- log_k 0.607
- delta_h 0 kcal
- -gamma 5 0
-Mn+2 + 2Cl- = MnCl2
- log_k 0.041
- delta_h 0 kcal
-Mn+2 + 3Cl- = MnCl3-
- log_k -0.305
- delta_h 0 kcal
- -gamma 5 0
-Mn+2 + H2O = MnOH+ + H+
- log_k -10.59
- delta_h 14.399 kcal
- -gamma 5 0
-Mn+2 + 3H2O = Mn(OH)3- + 3H+
- log_k -34.8
- delta_h 0 kcal
- -gamma 5 0
-Mn+2 + F- = MnF+
- log_k 0.85
- delta_h 0 kcal
- -gamma 5 0
-Mn+2 + SO4-2 = MnSO4
- log_k 2.26
- delta_h 2.17 kcal
-Mn+2 + 2NO3- = Mn(NO3)2
- log_k 0.6
- delta_h -0.396 kcal
-Mn+2 + CO3-2 + H+ = MnHCO3+
- log_k 11.6
- delta_h 0 kcal
- -gamma 5 0
-Cu+ + 2Cl- = CuCl2-
- log_k 5.5
- delta_h -0.42 kcal
- -gamma 4 0
-Cu+ + 3Cl- = CuCl3-2
- log_k 5.7
- delta_h 0.26 kcal
- -gamma 5 0
-Cu+ + 2HS- = Cu(S4)2-3 + 2H+
- log_k 3.39
- delta_h 0 kcal
- -gamma 23 0
- -no_check
- -mass_balance Cu(1)(S(-2)4)2
-Cu+ + 2HS- = CuS4S5-3 + 2H+
- log_k 2.66
- delta_h 0 kcal
- -gamma 25 0
- -no_check
- -mass_balance Cu(1)S(-2)4S(-2)5
-Cu+2 + Acetate- = CuAcetate+
- log_k 2.22
- delta_h 0 kcal
-Cu+2 + Glycine- = CuGlycine+
- log_k 8.62
- delta_h 0 kcal
-2Cu+2 + Glycine- = Cu2Glycine+3
- log_k 15.64
- delta_h 0 kcal
-Cu+2 + Salicylate-2 = CuSalicylate
- log_k 10.64
- delta_h 0 kcal
-2Cu+2 + Salicylate-2 = Cu2Salicylate+2
- log_k 16.94
- delta_h 0 kcal
-Cu+2 + Glutamate-2 = CuGlutamate
- log_k 8.33
- delta_h 0 kcal
-2Cu+2 + Glutamate-2 = Cu2Glutamate+2
- log_k 14.84
- delta_h 0 kcal
-2Cu+2 + Phthalate-2 = Cu2Phthalate+2
- log_k 5.3
- delta_h 0 kcal
-Cu+2 + CO3-2 = CuCO3
- log_k 6.73
- delta_h 0 kcal
-Cu+2 + 2CO3-2 = Cu(CO3)2-2
- log_k 9.83
- delta_h 0 kcal
-Cu+2 + Cl- = CuCl+
- log_k 0.43
- delta_h 8.65 kcal
- -gamma 4 0
-Cu+2 + 2Cl- = CuCl2
- log_k 0.16
- delta_h 10.56 kcal
-Cu+2 + 3Cl- = CuCl3-
- log_k -2.29
- delta_h 13.69 kcal
- -gamma 4 0
-Cu+2 + 4Cl- = CuCl4-2
- log_k -4.59
- delta_h 7.78 kcal
- -gamma 5 0
-Cu+2 + F- = CuF+
- log_k 1.26
- delta_h 1.62 kcal
-Cu+2 + H2O = CuOH+ + H+
- log_k -8
- delta_h 0 kcal
- -gamma 4 0
-Cu+2 + 2H2O = Cu(OH)2 + 2H+
- log_k -13.68
- delta_h 0 kcal
-Cu+2 + 3H2O = Cu(OH)3- + 3H+
- log_k -26.899
- delta_h 0 kcal
-Cu+2 + 4H2O = Cu(OH)4-2 + 4H+
- log_k -39.6
- delta_h 0 kcal
-2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+
- log_k -10.359
- delta_h 17.539 kcal
- -analytical 2.497 0.0 -3833.0
-Cu+2 + SO4-2 = CuSO4
- log_k 2.31
- delta_h 1.22 kcal
-Cu+2 + 3HS- = Cu(HS)3-
- log_k 25.899
- delta_h 0 kcal
-Cu+2 + CO3-2 + H+ = CuHCO3+
- log_k 13
- delta_h 0 kcal
-Zn+2 + Cl- = ZnCl+
- log_k 0.43
- delta_h 7.79 kcal
- -gamma 4 0
-Zn+2 + 2Cl- = ZnCl2
- log_k 0.45
- delta_h 8.5 kcal
-Zn+2 + 3Cl- = ZnCl3-
- log_k 0.5
- delta_h 9.56 kcal
- -gamma 4 0
-Zn+2 + 4Cl- = ZnCl4-2
- log_k 0.199
- delta_h 10.96 kcal
- -gamma 5 0
-Zn+2 + F- = ZnF+
- log_k 1.15
- delta_h 2.22 kcal
-Zn+2 + H2O = ZnOH+ + H+
- log_k -8.96
- delta_h 13.399 kcal
-Zn+2 + 2H2O = Zn(OH)2 + 2H+
- log_k -16.899
- delta_h 0 kcal
-Zn+2 + 3H2O = Zn(OH)3- + 3H+
- log_k -28.399
- delta_h 0 kcal
-Zn+2 + 4H2O = Zn(OH)4-2 + 4H+
- log_k -41.199
- delta_h 0 kcal
-Zn+2 + H2O + Cl- = ZnOHCl + H+
- log_k -7.48
- delta_h 0 kcal
-Zn+2 + 2HS- = Zn(HS)2
- log_k 14.94
- delta_h 0 kcal
-Zn+2 + 3HS- = Zn(HS)3-
- log_k 16.1
- delta_h 0 kcal
-Zn+2 + SO4-2 = ZnSO4
- log_k 2.37
- delta_h 1.36 kcal
-Zn+2 + 2SO4-2 = Zn(SO4)2-2
- log_k 3.28
- delta_h 0 kcal
-Zn+2 + Br- = ZnBr+
- log_k -0.58
- delta_h 0 kcal
-Zn+2 + 2Br- = ZnBr2
- log_k -0.98
- delta_h 0 kcal
-Zn+2 + I- = ZnI+
- log_k -2.91
- delta_h 0 kcal
-Zn+2 + 2I- = ZnI2
- log_k -1.69
- delta_h 0 kcal
-Zn+2 + CO3-2 + H+ = ZnHCO3+
- log_k 12.4
- delta_h 0 kcal
-Zn+2 + CO3-2 = ZnCO3
- log_k 5.3
- delta_h 0 kcal
-Zn+2 + 2CO3-2 = Zn(CO3)2-2
- log_k 9.63
- delta_h 0 kcal
-Cd+2 + Cl- = CdCl+
- log_k 1.98
- delta_h 0.59 kcal
-Cd+2 + 2Cl- = CdCl2
- log_k 2.6
- delta_h 1.24 kcal
-Cd+2 + 3Cl- = CdCl3-
- log_k 2.399
- delta_h 3.9 kcal
-Cd+2 + F- = CdF+
- log_k 1.1
- delta_h 0 kcal
-Cd+2 + 2F- = CdF2
- log_k 1.5
- delta_h 0 kcal
-Cd+2 + 3CO3-2 = Cd(CO3)3-4
- log_k 6.22
- delta_h 0 kcal
-Cd+2 + H2O = CdOH+ + H+
- log_k -10.08
- delta_h 13.1 kcal
-Cd+2 + 2H2O = Cd(OH)2 + 2H+
- log_k -20.35
- delta_h 0 kcal
-Cd+2 + 3H2O = Cd(OH)3- + 3H+
- log_k -33.3
- delta_h 0 kcal
-Cd+2 + 4H2O = Cd(OH)4-2 + 4H+
- log_k -47.35
- delta_h 0 kcal
-2Cd+2 + H2O = Cd2OH+3 + H+
- log_k -9.39
- delta_h 10.899 kcal
-Cd+2 + H2O + Cl- = CdOHCl + H+
- log_k -7.404
- delta_h 4.355 kcal
-Cd+2 + NO3- = CdNO3+
- log_k 0.399
- delta_h -5.2 kcal
-Cd+2 + SO4-2 = CdSO4
- log_k 2.46
- delta_h 1.08 kcal
-Cd+2 + HS- = CdHS+
- log_k 10.17
- delta_h 0 kcal
-Cd+2 + 2HS- = Cd(HS)2
- log_k 16.53
- delta_h 0 kcal
-Cd+2 + 3HS- = Cd(HS)3-
- log_k 18.71
- delta_h 0 kcal
-Cd+2 + 4HS- = Cd(HS)4-2
- log_k 20.9
- delta_h 0 kcal
-Cd+2 + Br- = CdBr+
- log_k 2.17
- delta_h -0.81 kcal
-Cd+2 + 2Br- = CdBr2
- log_k 2.899
- delta_h 0 kcal
-Cd+2 + I- = CdI+
- log_k 2.15
- delta_h -2.37 kcal
-Cd+2 + 2I- = CdI2
- log_k 3.59
- delta_h 0 kcal
-Cd+2 + CO3-2 + H+ = CdHCO3+
- log_k 12.4
- delta_h 0 kcal
-Cd+2 + CO3-2 = CdCO3
- log_k 5.399
- delta_h 0 kcal
-Cd+2 + 2SO4-2 = Cd(SO4)2-2
- log_k 3.5
- delta_h 0 kcal
-Pb+2 + Cl- = PbCl+
- log_k 1.6
- delta_h 4.38 kcal
-Pb+2 + 2Cl- = PbCl2
- log_k 1.8
- delta_h 1.08 kcal
-Pb+2 + 3Cl- = PbCl3-
- log_k 1.699
- delta_h 2.17 kcal
-Pb+2 + 4Cl- = PbCl4-2
- log_k 1.38
- delta_h 3.53 kcal
-Pb+2 + 2CO3-2 = Pb(CO3)2-2
- log_k 10.64
- delta_h 0 kcal
-Pb+2 + F- = PbF+
- log_k 1.25
- delta_h 0 kcal
-Pb+2 + 2F- = PbF2
- log_k 2.56
- delta_h 0 kcal
-Pb+2 + 3F- = PbF3-
- log_k 3.42
- delta_h 0 kcal
-Pb+2 + 4F- = PbF4-2
- log_k 3.1
- delta_h 0 kcal
-Pb+2 + H2O = PbOH+ + H+
- log_k -7.71
- delta_h 0 kcal
-Pb+2 + 2H2O = Pb(OH)2 + 2H+
- log_k -17.12
- delta_h 0 kcal
-Pb+2 + 3H2O = Pb(OH)3- + 3H+
- log_k -28.06
- delta_h 0 kcal
-2Pb+2 + H2O = Pb2OH+3 + H+
- log_k -6.36
- delta_h 0 kcal
-Pb+2 + NO3- = PbNO3+
- log_k 1.17
- delta_h 0 kcal
-Pb+2 + SO4-2 = PbSO4
- log_k 2.75
- delta_h 0 kcal
-Pb+2 + 2HS- = Pb(HS)2
- log_k 15.27
- delta_h 0 kcal
-Pb+2 + 3HS- = Pb(HS)3-
- log_k 16.57
- delta_h 0 kcal
-3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+
- log_k -23.88
- delta_h 26.5 kcal
-Pb+2 + Br- = PbBr+
- log_k 1.77
- delta_h 2.88 kcal
-Pb+2 + 2Br- = PbBr2
- log_k 1.44
- delta_h 0 kcal
-Pb+2 + I- = PbI+
- log_k 1.94
- delta_h 0 kcal
-Pb+2 + 2I- = PbI2
- log_k 3.199
- delta_h 0 kcal
-Pb+2 + CO3-2 = PbCO3
- log_k 7.24
- delta_h 0 kcal
-Pb+2 + 4H2O = Pb(OH)4-2 + 4H+
- log_k -39.699
- delta_h 0 kcal
-Pb+2 + 2SO4-2 = Pb(SO4)2-2
- log_k 3.47
- delta_h 0 kcal
-Pb+2 + CO3-2 + H+ = PbHCO3+
- log_k 13.2
- delta_h 0 kcal
-Ni+2 + Br- = NiBr+
- log_k 0.5
- delta_h 0 kcal
-Ni+2 + Cl- = NiCl+
- log_k 0.399
- delta_h 0 kcal
-Ni+2 + F- = NiF+
- log_k 1.3
- delta_h 0 kcal
-Ni+2 + H2O = NiOH+ + H+
- log_k -9.86
- delta_h 12.42 kcal
-Ni+2 + 2H2O = Ni(OH)2 + 2H+
- log_k -19
- delta_h 0 kcal
-Ni+2 + 3H2O = Ni(OH)3- + 3H+
- log_k -30
- delta_h 0 kcal
-Ni+2 + SO4-2 = NiSO4
- log_k 2.29
- delta_h 1.52 kcal
-Ni+2 + 2Cl- = NiCl2
- log_k 0.96
- delta_h 0 kcal
-Ni+2 + CO3-2 + H+ = NiHCO3+
- log_k 12.47
- delta_h 0 kcal
-Ni+2 + CO3-2 = NiCO3
- log_k 6.87
- delta_h 0 kcal
-Ni+2 + 2CO3-2 = Ni(CO3)2-2
- log_k 10.11
- delta_h 0 kcal
-Ni+2 + 2SO4-2 = Ni(SO4)2-2
- log_k 1.02
- delta_h 0 kcal
-Ni+2 + Acetate- = NiAcetate+
- log_k 1.43
- delta_h 0 kcal
-Ni+2 + Glycine- = NiGlycine+
- log_k 6.18
- delta_h 0 kcal
-2Ni+2 + Glycine- = Ni2Glycine+3
- log_k 11.13
- delta_h 0 kcal
-Ni+2 + Salicylate-2 = NiSalicylate
- log_k 6.95
- delta_h 0 kcal
-2Ni+2 + Salicylate-2 = Ni2Salicylate+2
- log_k 11.75
- delta_h 0 kcal
-Ni+2 + Glutamate-2 = NiGlutamate
- log_k 5.9
- delta_h 0 kcal
-2Ni+2 + Glutamate-2 = Ni2Glutamate+2
- log_k 10.34
- delta_h 0 kcal
-Ni+2 + Phthalate-2 = NiPhthalate
- log_k 2.95
- delta_h 0 kcal
-Ag+ + Br- = AgBr
- log_k 4.24
- delta_h 0 kcal
-Ag+ + 2Br- = AgBr2-
- log_k 7.28
- delta_h 0 kcal
-Ag+ + Cl- = AgCl
- log_k 3.27
- delta_h -2.68 kcal
-Ag+ + 2Cl- = AgCl2-
- log_k 5.27
- delta_h -3.93 kcal
-Ag+ + 3Cl- = AgCl3-2
- log_k 5.29
- delta_h 0 kcal
-Ag+ + 4Cl- = AgCl4-3
- log_k 5.51
- delta_h 0 kcal
-Ag+ + F- = AgF
- log_k 0.36
- delta_h -2.83 kcal
-Ag+ + HS- = AgHS
- log_k 14.05
- delta_h 0 kcal
-Ag+ + 2HS- = Ag(HS)2-
- log_k 18.45
- delta_h 0 kcal
-Ag+ + I- = AgI
- log_k 6.6
- delta_h 0 kcal
-Ag+ + 2I- = AgI2-
- log_k 10.68
- delta_h 0 kcal
-Ag+ + H2O = AgOH + H+
- log_k -12
- delta_h 0 kcal
-Ag+ + 2H2O = Ag(OH)2- + 2H+
- log_k -24
- delta_h 0 kcal
-Ag+ + SO4-2 = AgSO4-
- log_k 1.29
- delta_h 1.49 kcal
-Ag+ + NO3- = AgNO3
- log_k -0.29
- delta_h 0 kcal
-Ag+ + 2NO2- = Ag(NO2)2-
- log_k 2.22
- delta_h 0 kcal
-Ag+ + 3Br- = AgBr3-2
- log_k 8.71
- delta_h 0 kcal
-Ag+ + 3I- = AgI3-2
- log_k 13.37
- delta_h -27.03 kcal
-Ag+ + 4I- = AgI4-3
- log_k 14.08
- delta_h 0 kcal
-Ag+ + 2HS- = Ag(S4)2-3 + 2H+
- log_k 0.991
- delta_h 0 kcal
- -gamma 22 0
- -no_check
- -mass_balance Ag(S(-2)4)2
-Ag+ + 2HS- = AgS4S5-3 + 2H+
- log_k 0.68
- delta_h 0 kcal
- -gamma 24 0
- -no_check
- -mass_balance AgS(-2)4S(-2)5
-Ag+ + 2HS- = Ag(HS)S4-2 + H+
- log_k 10.431
- delta_h 0 kcal
- -gamma 15 0
- -no_check
- -mass_balance Ag(HS(-2))S(-2)4
-H3AsO3 = H2AsO3- + H+
- log_k -9.228
- delta_h 6.56 kcal
-H3AsO3 = HAsO3-2 + 2H+
- log_k -21.33
- delta_h 14.199 kcal
-H3AsO3 = AsO3-3 + 3H+
- log_k -34.744
- delta_h 20.25 kcal
-H3AsO3 + H+ = H4AsO3+
- log_k -0.305
- delta_h 0 kcal
-H3AsO4 = H2AsO4- + H+
- log_k -2.243
- delta_h -1.69 kcal
-H3AsO4 = HAsO4-2 + 2H+
- log_k -9.001
- delta_h -0.92 kcal
-H3AsO4 = AsO4-3 + 3H+
- log_k -20.597
- delta_h 3.43 kcal
-Sb(OH)3 = HSbO2 + H2O
- log_k -0.0073
- delta_h -0.015 kcal
-Sb(OH)3 + F- + H+ = SbOF + 2H2O
- log_k 6.1864
- delta_h 0 kcal
-Sb(OH)3 + F- + H+ = Sb(OH)2F + H2O
- log_k 6.1937
- delta_h 0 kcal
-Sb(OH)3 + H+ = SbO+ + 2H2O
- log_k 0.9228
- delta_h 1.97 kcal
-Sb(OH)3 = SbO2- + H2O + H+
- log_k -11.8011
- delta_h 16.775 kcal
-Sb(OH)3 + H+ = Sb(OH)2+ + H2O
- log_k 1.3853
- delta_h 0 kcal
-2Sb(OH)3 + 4HS- + 2H+ = Sb2S4-2 + 6H2O
- log_k 49.3005
- delta_h -75.68 kcal
-Sb(OH)6- = SbO3- + 3H2O
- log_k 2.9319
- delta_h 0 kcal
-Sb(OH)6- + 2H+ = SbO2+ + 4H2O
- log_k 2.3895
- delta_h 0 kcal
-Sb(OH)3 + H2O = Sb(OH)4- + H+
- log_k -12.0429
- delta_h 16.695 kcal
-CO3-2 + H+ = HCO3-
- log_k 10.33
- delta_h -3.617 kcal
- -gamma 5.4 0
- -analytical -6.498 0.02379 2902.39
-CO3-2 + 2H+ = H2CO3
- log_k 16.681
- delta_h -2.247 kcal
-SO4-2 + H+ = HSO4-
- log_k 1.987
- delta_h 4.91 kcal
- -gamma 4.5 0
- -analytical -5.3505 0.0183412 557.2461
-F- + H+ = HF
- log_k 3.169
- delta_h 3.46 kcal
-2F- + H+ = HF2-
- log_k 3.749
- delta_h 4.55 kcal
- -gamma 3.5 0
-2F- + 2H+ = H2F2
- log_k 6.768
- delta_h 0 kcal
-PO4-3 + H+ = HPO4-2
- log_k 12.346
- delta_h -3.53 kcal
- -gamma 5 0
-PO4-3 + 2H+ = H2PO4-
- log_k 19.553
- delta_h -4.52 kcal
- -gamma 5.4 0
-PO4-3 + 3H+ = H3PO4
- log_k 21.7
- delta_h 0 kcal
-HS- + H+ = H2S
- log_k 6.994
- delta_h -5.3 kcal
- -analytical -11.17 0.02386 3279.0
-HS- = S-2 + H+
- log_k -12.918
- delta_h 12.1 kcal
- -gamma 5 0
-U+4 + H2O = UOH+3 + H+
- log_k -0.656
- delta_h 11.715 kcal
- -analytical -9.16 0.0285
-U+4 + 2H2O = U(OH)2+2 + 2H+
- log_k -2.27
- delta_h 17.73 kcal
-U+4 + 3H2O = U(OH)3+ + 3H+
- log_k -4.935
- delta_h 22.645 kcal
-U+4 + 4H2O = U(OH)4 + 4H+
- log_k -8.498
- delta_h 24.76 kcal
-U+4 + 5H2O = U(OH)5- + 5H+
- log_k -13.12
- delta_h 27.575 kcal
-6U+4 + 15H2O = U6(OH)15+9 + 15H+
- log_k -17.229
- delta_h 0 kcal
-U+4 + F- = UF+3
- log_k 8.659
- delta_h 5.05 kcal
-U+4 + 2F- = UF2+2
- log_k 14.457
- delta_h 7.2 kcal
-U+4 + 3F- = UF3+
- log_k 19.115
- delta_h 7.15 kcal
-U+4 + 4F- = UF4
- log_k 23.64
- delta_h 4.6 kcal
-U+4 + 5F- = UF5-
- log_k 25.238
- delta_h 4.85 kcal
-U+4 + 6F- = UF6-2
- log_k 27.718
- delta_h 3.3 kcal
-U+4 + Cl- = UCl+3
- log_k 1.338
- delta_h 9.933 kcal
-U+4 + SO4-2 = USO4+2
- log_k 5.461
- delta_h 3.7 kcal
-U+4 + 2SO4-2 = U(SO4)2
- log_k 9.749
- delta_h 7.6 kcal
-U+4 + PO4-3 + H+ = UHPO4+2
- log_k 24.443
- delta_h 7.5 kcal
-U+4 + 2PO4-3 + 2H+ = U(HPO4)2
- log_k 46.833
- delta_h 1.7 kcal
-U+4 + 3PO4-3 + 3H+ = U(HPO4)3-2
- log_k 67.564
- delta_h -7.8 kcal
-U+4 + 4PO4-3 + 4H+ = U(HPO4)4-4
- log_k 88.483
- delta_h -26.5 kcal
-UO2+2 + H2O = UO2OH+ + H+
- log_k -5.09
- delta_h 10.216 kcal
-2UO2+2 + 2H2O = (UO2)2(OH)2+2 + 2H+
- log_k -5.645
- delta_h 10.23 kcal
-3UO2+2 + 5H2O = (UO2)3(OH)5+ + 5H+
- log_k -15.593
- delta_h 25.075 kcal
-UO2+2 + CO3-2 = UO2CO3
- log_k 10.071
- delta_h 0.84 kcal
- -analytical -9.56 0.03434 2809.0
-UO2+2 + 2CO3-2 = UO2(CO3)2-2
- log_k 17.008
- delta_h 3.48 kcal
- -analytical 14.14 0.0096
-UO2+2 + 3CO3-2 = UO2(CO3)3-4
- log_k 21.384
- delta_h -8.78 kcal
-UO2+2 + F- = UO2F+
- log_k 5.105
- delta_h -0.45 kcal
-UO2+2 + 2F- = UO2F2
- log_k 8.92
- delta_h -0.9 kcal
-UO2+2 + 3F- = UO2F3-
- log_k 11.364
- delta_h -0.85 kcal
-UO2+2 + 4F- = UO2F4-2
- log_k 12.607
- delta_h -1.1 kcal
-UO2+2 + Cl- = UO2Cl+
- log_k 0.22
- delta_h 1.233 kcal
-UO2+2 + SO4-2 = UO2SO4
- log_k 2.709
- delta_h 5.1 kcal
-# Minteq a_e has more constants than phreeqc, can not use
-# -analytical 11.384 -0.07088 0.0 0.0 1.40277E-4
-UO2+2 + 2SO4-2 = UO2(SO4)2-2
- log_k 4.183
- delta_h 6.1 kcal
-# Minteq a_e has more constants than phreeqc, can not use
-# -analytical 12.130 -0.068297 0.0 0.0 1.3987E-04
-UO2+2 + PO4-3 + H+ = UO2HPO4
- log_k 20.814
- delta_h -2.1 kcal
-UO2+2 + 2PO4-3 + 2H+ = UO2(HPO4)2-2
- log_k 42.988
- delta_h -11.399 kcal
-UO2+2 + PO4-3 + 2H+ = UO2H2PO4+
- log_k 22.643
- delta_h -3.7 kcal
-UO2+2 + 2PO4-3 + 4H+ = UO2(H2PO4)2
- log_k 44.7
- delta_h -16.5 kcal
-UO2+2 + 3PO4-3 + 6H+ = UO2(H2PO4)3-
- log_k 66.245
- delta_h -28.6 kcal
-UO2+2 + H4SiO4 = UO2H3SiO4+ + H+
- log_k -2.4
- delta_h 0 kcal
-HS- = S2-2 + H+
- log_k -14.528
- delta_h 11.4 kcal
- -no_check
- -mass_balance S(-2)2
-HS- = S3-2 + H+
- log_k -13.282
- delta_h 10.4 kcal
- -no_check
- -mass_balance S(-2)3
-HS- = S4-2 + H+
- log_k -9.829
- delta_h 9.7 kcal
- -no_check
- -mass_balance S(-2)4
-HS- = S5-2 + H+
- log_k -9.595
- delta_h 9.3 kcal
- -no_check
- -mass_balance S(-2)5
-HS- = S6-2 + H+
- log_k -9.881
- delta_h 0 kcal
- -no_check
- -mass_balance S(-2)6
-V+2 + H2O = VOH+ + H+
- log_k -5.64
- delta_h 0 kcal
-V+3 + H2O = VOH+2 + H+
- log_k -2.3
- delta_h 9.35 kcal
-V+3 + 2H2O = V(OH)2+ + 2H+
- log_k -5.83
- delta_h 0 kcal
-V+3 + 3H2O = V(OH)3 + 3H+
- log_k -11.02
- delta_h 0 kcal
-V+3 + SO4-2 = VSO4+
- log_k 1.44
- delta_h 0 kcal
-2V+3 + 3H2O = V2(OH)3+3 + 3H+
- log_k -7.5
- delta_h 0 kcal
-2V+3 + 2H2O = V2(OH)2+4 + 2H+
- log_k -3.75
- delta_h 0 kcal
-VO+2 + 2H2O = V(OH)3+ + H+
- log_k -5.67
- delta_h 0 kcal
-2VO+2 + 2H2O = H2V2O4+2 + 2H+
- log_k -6.44
- delta_h 0 kcal
-VO+2 + F- = VOF+
- log_k 3.34
- delta_h 1.9 kcal
-VO+2 + 2F- = VOF2
- log_k 5.74
- delta_h 3.5 kcal
-VO+2 + 3F- = VOF3-
- log_k 7.3
- delta_h 4.9 kcal
-VO+2 + 4F- = VOF4-2
- log_k 8.11
- delta_h 6.4 kcal
-VO+2 + SO4-2 = VOSO4
- log_k 2.45
- delta_h 3.72 kcal
-VO+2 + Cl- = VOCl+
- log_k 0.02
- delta_h 0 kcal
-VO2+ + 2H2O = H3VO4 + H+
- log_k -3.3
- delta_h 10.63 kcal
-VO2+ + 2H2O = H2VO4- + 2H+
- log_k -7.09
- delta_h 11.33 kcal
-VO2+ + 2H2O = HVO4-2 + 3H+
- log_k -15.15
- delta_h 14.93 kcal
-VO2+ + 2H2O = VO4-3 + 4H+
- log_k -28.4
- delta_h 19.53 kcal
-2VO2+ + 3H2O = V2O7-4 + 6H+
- log_k -29.08
- delta_h 0 kcal
-2VO2+ + 3H2O = HV2O7-3 + 5H+
- log_k -16.32
- delta_h 0 kcal
-2VO2+ + 3H2O = H3V2O7- + 3H+
- log_k -3.79
- delta_h 0 kcal
-3VO2+ + 3H2O = V3O9-3 + 6H+
- log_k -15.88
- delta_h 0 kcal
-4VO2+ + 4H2O = V4O12-4 + 8H+
- log_k -20.79
- delta_h 0 kcal
-10VO2+ + 8H2O = V10O28-6 + 16H+
- log_k -17.53
- delta_h 0 kcal
-10VO2+ + 8H2O = HV10O28-5 + 15H+
- log_k -11.35
- delta_h 21.52 kcal
-10VO2+ + 8H2O = H2V10O28-4 + 14H+
- log_k -7.71
- delta_h 0 kcal
-VO2+ + F- = VO2F
- log_k 3.12
- delta_h 0 kcal
-VO2+ + 2F- = VO2F2-
- log_k 5.67
- delta_h 0 kcal
-VO2+ + 3F- = VO2F3-2
- log_k 6.97
- delta_h 0 kcal
-VO2+ + 4F- = VO2F4-3
- log_k 7.07
- delta_h 0 kcal
-VO2+ + SO4-2 = VO2SO4-
- log_k 1.71
- delta_h 0 kcal
-VO2+ + NO3- = VO2NO3
- log_k -0.43
- delta_h 0 kcal
-Tl+ + H2O = TlOH + H+
- log_k -13.1717
- delta_h 13.935 kcal
-Tl+ + F- = TlF
- log_k -0.4251
- delta_h 0 kcal
-Tl+ + Cl- = TlCl
- log_k 0.6824
- delta_h -1.147 kcal
-Tl+ + 2Cl- = TlCl2-
- log_k 0.2434
- delta_h 0 kcal
-Tl+ + Br- = TlBr
- log_k 0.9477
- delta_h -2.461 kcal
-Tl+ + 2Br- = TlBr2-
- log_k 0.9719
- delta_h 2.998 kcal
-Tl+ + Br- + Cl- = TlBrCl-
- log_k 0.8165
- delta_h 0 kcal
-Tl+ + I- = TlI
- log_k 1.4279
- delta_h 0 kcal
-Tl+ + 2I- = TlI2-
- log_k 1.8588
- delta_h 0 kcal
-Tl+ + I- + Br- = TlIBr-
- log_k 2.185
- delta_h 0 kcal
-Tl+ + SO4-2 = TlSO4-
- log_k 1.3853
- delta_h -0.22 kcal
-Tl+ + NO3- = TlNO3
- log_k 0.3665
- delta_h -0.65 kcal
-Tl+ + NO2- = TlNO2
- log_k 0.9969
- delta_h 0 kcal
-Tl+ + HS- = TlHS
- log_k 1.8178
- delta_h 0 kcal
-2Tl+ + HS- = Tl2HS+
- log_k 7.6979
- delta_h 0 kcal
-2Tl+ + 3HS- + H2O = Tl2OH(HS)3-2 + H+
- log_k 1.0044
- delta_h 0 kcal
-2Tl+ + 2HS- + 2H2O = Tl2(OH)2(HS)2-2 + 2H+
- log_k -11.0681
- delta_h 0 kcal
-Tl(OH)3 + 3H+ = Tl+3 + 3H2O
- log_k 4.7424
- delta_h 0 kcal
-Tl(OH)3 + 2H+ = TlOH+2 + 2H2O
- log_k 3.577
- delta_h 0 kcal
-Tl(OH)3 + H+ = Tl(OH)2+ + H2O
- log_k 2.1183
- delta_h 0 kcal
-Tl(OH)3 + H2O = Tl(OH)4- + H+
- log_k -10.2545
- delta_h 0 kcal
-Tl(OH)3 + Cl- + 3H+ = TlCl+2 + 3H2O
- log_k 12.2342
- delta_h 0 kcal
-Tl(OH)3 + 2Cl- + 3H+ = TlCl2+ + 3H2O
- log_k 18.0402
- delta_h 0 kcal
-Tl(OH)3 + 3Cl- + 3H+ = TlCl3 + 3H2O
- log_k 21.4273
- delta_h 0 kcal
-Tl(OH)3 + 4Cl- + 3H+ = TlCl4- + 3H2O
- log_k 24.2281
- delta_h 0 kcal
-Tl(OH)3 + Br- + 3H+ = TlBr+2 + 3H2O
- log_k 14.2221
- delta_h 0 kcal
-Tl(OH)3 + 2Br- + 3H+ = TlBr2+ + 3H2O
- log_k 21.5761
- delta_h 0 kcal
-Tl(OH)3 + 3Br- + 3H+ = TlBr3 + 3H2O
- log_k 27.0244
- delta_h 0 kcal
-Tl(OH)3 + 4Br- + 3H+ = TlBr4- + 3H2O
- log_k 31.1533
- delta_h 0 kcal
-Tl(OH)3 + 4I- + 3H+ = TlI4- + 3H2O
- log_k 34.7596
- delta_h 0 kcal
-Tl(OH)3 + NO3- + 3H+ = TlNO3+2 + 3H2O
- log_k 7.0073
- delta_h 0 kcal
-Tl(OH)3 + Cl- + 2H+ = TlOHCl+ + 2H2O
- log_k 10.629
- delta_h 0 kcal
-HSe- = Se-2 + H+
- log_k -14.9529
- delta_h 11.5 kcal
-HSe- + H+ = H2Se
- log_k 3.8115
- delta_h 0.8 kcal
-HSe- + Mn+2 = MnSe + H+
- log_k -6.7435
- delta_h 0 kcal
-HSe- + 2Ag+ = Ag2Se + H+
- log_k 34.0677
- delta_h 0 kcal
-2HSe- + Ag+ + H2O = AgOH(Se)2-4 + 3H+
- log_k -18.6237
- delta_h 0 kcal
-HSeO3- = SeO3-2 + H+
- log_k -8.48
- delta_h 1.28 kcal
-HSeO3- + H+ = H2SeO3
- log_k 2.65
- delta_h 1.69 kcal
-HSeO3- + Fe+3 = FeHSeO3+2
- log_k 3.61
- delta_h 0 kcal
-HSeO3- + Ag+ = AgSeO3- + H+
- log_k -5.5985
- delta_h 0 kcal
-2HSeO3- + Ag+ = Ag(SeO3)2-3 + 2H+
- log_k -13.2
- delta_h 0 kcal
-2HSeO3- + Cd+2 = Cd(SeO3)2-2 + 2H+
- log_k -11.189
- delta_h 0 kcal
-SeO4-2 + H+ = HSeO4-
- log_k 1.9058
- delta_h 4.2 kcal
-SeO4-2 + Mn+2 = MnSeO4
- log_k 2.4188
- delta_h 3.46 kcal
-SeO4-2 + Ni+2 = NiSeO4
- log_k 2.6387
- delta_h 3.5 kcal
-SeO4-2 + Cd+2 = CdSeO4
- log_k 2.2415
- delta_h 0 kcal
-SeO4-2 + Zn+2 = ZnSeO4
- log_k 2.2019
- delta_h 0 kcal
-2SeO4-2 + Zn+2 = Zn(SeO4)2-2
- log_k -0.0704
- delta_h 0 kcal
-Hg(OH)2 + 2H+ = Hg+2 + 2H2O
- log_k 6.097
- delta_h -11.06 kcal
-Hg(OH)2 + Br- + 2H+ = HgBr+ + 2H2O
- log_k 15.8347
- delta_h 0 kcal
-Hg(OH)2 + 2Br- + 2H+ = HgBr2 + 2H2O
- log_k 23.6065
- delta_h -30.832 kcal
-Hg(OH)2 + 2H+ + 3Br- = HgBr3- + 2H2O
- log_k 25.7857
- delta_h 0 kcal
-Hg(OH)2 + 2H+ + 4Br- = HgBr4-2 + 2H2O
- log_k 27.0633
- delta_h 0 kcal
-Hg(OH)2 + Br- + Cl- + 2H+ = HgBrCl + 2H2O
- log_k 22.0145
- delta_h 0 kcal
-Hg(OH)2 + Br- + I- + 2H+ = HgBrI + 2H2O
- log_k 27.1212
- delta_h 0 kcal
-Hg(OH)2 + Br- + 3I- + 2H+ = HgBrI3-2 + 2H2O
- log_k 34.2135
- delta_h 0 kcal
-Hg(OH)2 + 2Br- + 2I- + 2H+ = HgBr2I2-2 + 2H2O
- log_k 32.3994
- delta_h 0 kcal
-Hg(OH)2 + 3Br- + I- + 2H+ = HgBr3I-2 + 2H2O
- log_k 30.1528
- delta_h 0 kcal
-Hg(OH)2 + Br- + H+ = HgBrOH + H2O
- log_k 11.598
- delta_h 0 kcal
-Hg(OH)2 + Cl- + 2H+ = HgCl+ + 2H2O
- log_k 12.85
- delta_h 0 kcal
-Hg(OH)2 + 2Cl- + 2H+ = HgCl2 + 2H2O
- log_k 19.2203
- delta_h 0 kcal
-Hg(OH)2 + 3Cl- + 2H+ = HgCl3- + 2H2O
- log_k 20.1226
- delta_h 0 kcal
-Hg(OH)2 + 4Cl- + 2H+ = HgCl4-2 + 2H2O
- log_k 20.5338
- delta_h 0 kcal
-Hg(OH)2 + Cl- + I- + 2H+ = HgClI + 2H2O
- log_k 25.3532
- delta_h 0 kcal
-Hg(OH)2 + Cl- + H+ = HgClOH + H2O
- log_k 9.317
- delta_h -12.482 kcal
-Hg(OH)2 + F- + 2H+ = HgF+ + 2H2O
- log_k 8.0848
- delta_h 0 kcal
-Hg(OH)2 + I- + 2H+ = HgI+ + 2H2O
- log_k 18.8949
- delta_h 0 kcal
-Hg(OH)2 + 2I- + 2H+ = HgI2 + 2H2O
- log_k 30.1081
- delta_h -44.522 kcal
-Hg(OH)2 + 3I- + 2H+ = HgI3- + 2H2O
- log_k 33.7935
- delta_h -47.943 kcal
-Hg(OH)2 + 4I- + 2H+ = HgI4-2 + 2H2O
- log_k 35.7858
- delta_h 0 kcal
-Hg(OH)2 + NH4+ + H+ = HgNH3+2 + 2H2O
- log_k 5.6139
- delta_h 0 kcal
-Hg(OH)2 + 2NH4+ = Hg(NH3)2+2 + 2H2O
- log_k 5.0341
- delta_h 0 kcal
-Hg(OH)2 + 3NH4+ = Hg(NH3)3+2 + H+ + 2H2O
- log_k -3.2493
- delta_h 0 kcal
-Hg(OH)2 + 4NH4+ = Hg(NH3)4+2 + 2H+ + 2H2O
- log_k -11.7307
- delta_h 0 kcal
-Hg(OH)2 + NO3- + 2H+ = HgNO3+ + 2H2O
- log_k 6.4503
- delta_h 0 kcal
-Hg(OH)2 + 2NO3- + 2H+ = Hg(NO3)2 + 2H2O
- log_k 4.7791
- delta_h 0 kcal
-Hg(OH)2 + H+ = HgOH+ + H2O
- log_k 2.6974
- delta_h 0 kcal
-Hg(OH)2 + H2O = Hg(OH)3- + H+
- log_k -15.0042
- delta_h 0 kcal
-Hg(OH)2 + 2HS- = HgS2-2 + 2H2O
- log_k 31.2398
- delta_h 0 kcal
-Hg(OH)2 + 2HS- + 2H+ = Hg(HS)2 + 2H2O
- log_k 43.8178
- delta_h 0 kcal
-Hg(OH)2 + SO4-2 + 2H+ = HgSO4 + 2H2O
- log_k 7.4911
- delta_h 0 kcal
-Cr(OH)2+ + 2H+ = Cr+3 + 2H2O
- log_k 9.62
- delta_h -20.14 kcal
-Cr(OH)2+ + H+ = Cr(OH)+2 + H2O
- log_k 5.62
- delta_h 0 kcal
-Cr(OH)2+ + H2O = Cr(OH)3 + H+
- log_k -7.13
- delta_h 0 kcal
-Cr(OH)2+ + 2H2O = Cr(OH)4- + 2H+
- log_k -18.15
- delta_h 0 kcal
-Cr(OH)2+ = CrO2- + 2H+
- log_k -17.7456
- delta_h 0 kcal
-Cr(OH)2+ + Br- + 2H+ = CrBr+2 + 2H2O
- log_k 7.5519
- delta_h -11.211 kcal
-Cr(OH)2+ + Cl- + 2H+ = CrCl+2 + 2H2O
- log_k 9.3683
- delta_h -13.847 kcal
-Cr(OH)2+ + 2Cl- + 2H+ = CrCl2+ + 2H2O
- log_k 8.658
- delta_h -9.374 kcal
-Cr(OH)2+ + 2Cl- + H+ = CrOHCl2 + H2O
- log_k 2.9627
- delta_h 0 kcal
-Cr(OH)2+ + F- + 2H+ = CrF+2 + 2H2O
- log_k 14.5424
- delta_h -16.789 kcal
-Cr(OH)2+ + I- + 2H+ = CrI+2 + 2H2O
- log_k 4.8289
- delta_h 0 kcal
-Cr(OH)2+ + 6NH4+ = Cr(NH3)6+3 + 4H+ + 2H2O
- log_k -32.5709
- delta_h 0 kcal
-Cr(OH)2+ + 5NH4+ = Cr(NH3)5OH+2 + 4H+ + H2O
- log_k -30.2759
- delta_h 0 kcal
-Cr(OH)2+ + 4NH4+ = Cr(NH3)4(OH)2+ + 4H+
- log_k -29.8574
- delta_h 0 kcal
-# Don't know difference with previous species
-# MINTEQ had "CCrNH3)4OH2" for one and "TCrNH3)4OH2"
-# Equations were the same.
-# Cis and Trans??
-#Cr(OH)2+ + 4NH4+ = Cr(NH3)4(OH)2+ + 4H+
-# log_k -30.5537
-# delta_h 0 kcal
-Cr(OH)2+ + 6NH4+ + Cl- = Cr(NH3)6Cl+2 + 2H2O + 4H+
- log_k -31.7932
- delta_h 0 kcal
-Cr(OH)2+ + 6NH4+ + Br- = Cr(NH3)6Br+2 + 4H+ + 2H2O
- log_k -31.887
- delta_h 0 kcal
-Cr(OH)2+ + 6NH4+ + I- = Cr(NH3)6I+2 + 4H+ + 2H2O
- log_k -32.008
- delta_h 0 kcal
-Cr(OH)2+ + NO3- + 2H+ = CrNO3+2 + 2H2O
- log_k 8.2094
- delta_h -15.64 kcal
-Cr(OH)2+ + 4H+ + PO4-3 = CrH2PO4+2 + 2H2O
- log_k 31.9068
- delta_h 0 kcal
-Cr(OH)2+ + SO4-2 + 2H+ = CrSO4+ + 2H2O
- log_k 10.9654
- delta_h -12.62 kcal
-Cr(OH)2+ + SO4-2 + H+ = CrOHSO4 + H2O
- log_k 8.2754
- delta_h 0 kcal
-2Cr(OH)2+ + 2SO4-2 + 2H+ = Cr2(OH)2(SO4)2 + 2H2O
- log_k 14.5278
- delta_h 0 kcal
-# Not sure about these two species
-# One was "Cr2OH2SO4)S" other was "Cr2OH2SO42"
-# Equation was the same
-#2Cr(OH)2+ + 2SO4-2 + 2H+ = Cr2(OH)2(SO4)2 + 2H2O
-# log_k 17.9288
-# delta_h 0 kcal
-2Cr(OH)2+ + SO4-2 + 2H+ = Cr2(OH)2SO4+2 + 2H2O
- log_k 16.155
- delta_h 0 kcal
-CrO4-2 + H+ = HCrO4-
- log_k 6.5089
- delta_h 0.9 kcal
-CrO4-2 + 2H+ = H2CrO4
- log_k 5.6513
- delta_h 0 kcal
-2CrO4-2 + 2H+ = Cr2O7-2 + H2O
- log_k 14.5571
- delta_h -2.995 kcal
-CrO4-2 + Cl- + 2H+ = CrO3Cl- + H2O
- log_k 7.3086
- delta_h 0 kcal
-CrO4-2 + 4H+ + PO4-3 = CrO3H2PO4- + H2O
- log_k 29.3634
- delta_h 0 kcal
-CrO4-2 + 3H+ + PO4-3 = CrO3HPO4-2 + H2O
- log_k 26.6806
- delta_h 0 kcal
-CrO4-2 + SO4-2 + 2H+ = CrO3SO4-2 + H2O
- log_k 8.9937
- delta_h 0 kcal
-CrO4-2 + Na+ = NaCrO4-
- log_k 0.6963
- delta_h 0 kcal
-CrO4-2 + K+ = KCrO4-
- log_k 0.799
- delta_h 0 kcal
-Ba+2 + Fe+3 + 6Cyanide- = BaFe(Cyanide)6-
- log_k 55.4356
- delta_h -69.68 kcal
-Ca+2 + H+ + Fe+2 + 6Cyanide- + e- = CaHFe(Cyanide)6-2
- log_k 52.7097
- delta_h -82 kcal
-K+ + Fe+2 + 6Cyanide- = KFe(Cyanide)6-3
- log_k 48.1204
- delta_h -84 kcal
-2K+ + Fe+2 + 6Cyanide- = K2Fe(Cyanide)6-2
- log_k 48.978
- delta_h -77.3 kcal
-K+ + H+ + Fe+2 + 6Cyanide- = KHFe(Cyanide)6-2
- log_k 51.4702
- delta_h -78.1 kcal
-2Li+ + Fe+2 + 6Cyanide- = Li2Fe(Cyanide)6-2
- log_k 48.5338
- delta_h -83.498 kcal
-Li+ + H+ + Fe+2 + 6Cyanide- = LiHFe(Cyanide)6-2
- log_k 51.2188
- delta_h -80.999 kcal
-NH4+ + Fe+2 + 6Cyanide- = NH4Fe(Cyanide)6-3
- log_k 48.0684
- delta_h -84.5 kcal
-NH4+ + H+ + Fe+2 + 6Cyanide- = NH5Fe(Cyanide)6-2
- log_k 51.4035
- delta_h -83.9 kcal
-Na+ + Fe+2 + 6Cyanide- = NaFe(Cyanide)6-3
- log_k 47.9885
- delta_h -84.9 kcal
-2Na+ + Fe+2 + 6Cyanide- = Na2Fe(Cyanide)6-2
- log_k 48.7435
- delta_h -85 kcal
-Na+ + H+ + Fe+2 + 6Cyanide- = NaHFe(Cyanide)6-2
- log_k 51.4335
- delta_h -85.6 kcal
-2NH4+ + Fe+2 + 6Cyanide- = (NH4)2FeCyanide6-2
- log_k 48.8666
- delta_h -83 kcal
-Cyanide- + Ag+ + H2O = Ag(Cyanide)OH- + H+
- log_k -0.56
- delta_h 0 kcal
-2Cyanide- + Ag+ = Ag(Cyanide)2-
- log_k 20.3814
- delta_h -32.675 kcal
-6Cyanide- + 2K+ + 2H+ + Fe+2 = K2H2Fe(Cyanide)6
- log_k 52.3058
- delta_h -85.86 kcal
-6Cyanide- + Ca+2 + Fe+3 = CaFe(Cyanide)6-
- log_k 55.473
- delta_h -69.5 kcal
-6Cyanide- + Ca+2 + Fe+2 = CaFe(Cyanide)6-2
- log_k 49.6898
- delta_h -83.1 kcal
-6Cyanide- + 2Ca+2 + Fe+2 = Ca2Fe(Cyanide)6
- log_k 50.9952
- delta_h -83.7 kcal
-Cyanide- + Cd+2 = CdCyanide+
- log_k 5.32
- delta_h 0 kcal
-2Cyanide- + Cd+2 = Cd(Cyanide)2
- log_k 10.3703
- delta_h -13 kcal
-3Cyanide- + Cd+2 = Cd(Cyanide)3-
- log_k 14.8341
- delta_h -21.6 kcal
-4Cyanide- + Cd+2 = Cd(Cyanide)4-2
- log_k 18.2938
- delta_h -23.56 kcal
-4Cyanide- + Cu+ = Cu(Cyanide)4-3
- log_k 30.3456
- delta_h -51.4 kcal
-2Cyanide- + Cu+ = Cu(Cyanide)2-
- log_k 24.0272
- delta_h -29.1 kcal
-3Cyanide- + Cu+ = Cu(Cyanide)3-2
- log_k 28.6524
- delta_h -40.2 kcal
-6Cyanide- + Fe+2 = Fe(Cyanide)6-4
- log_k 45.6063
- delta_h -85.8 kcal
-6Cyanide- + Fe+2 + H+ = HFe(Cyanide)6-3
- log_k 49.9969
- delta_h -84.16 kcal
-6Cyanide- + 2H+ + Fe+2 = H2Fe(Cyanide)6-2
- log_k 52.445
- delta_h -83.1 kcal
-6Cyanide- + Fe+3 = Fe(Cyanide)6-3
- log_k 52.6283
- delta_h -70.1 kcal
-Cyanide- + H+ = HCyanide
- log_k 9.2356
- delta_h -10.4 kcal
-Cyanate- + H+ = HCyanate
- log_k 3.445
- delta_h -2 kcal
-Cyanide- + Hg(OH)2 + 2H+ = HgCyanide+ + 2H2O
- log_k 24.1738
- delta_h -33.83 kcal
-2Cyanide- + Hg(OH)2 + 2H+ = Hg(Cyanide)2 + 2H2O
- log_k 40.6513
- delta_h -57.24 kcal
-3Cyanide- + Hg(OH)2 + 2H+ = Hg(Cyanide)3- + 2H2O
- log_k 44.4042
- delta_h -64.83 kcal
-4Cyanide- + Hg(OH)2 + 2H+ = Hg(Cyanide)4-2 + 2H2O
- log_k 47.4094
- delta_h -69.93 kcal
-2Cyanide- + Cl- + Hg(OH)2 + 2H+ = Hg(Cyanide)2Cl- + 2H2O
- log_k 40.3735
- delta_h 0 kcal
-3Cyanide- + Cl- + Hg(OH)2 + 2H+ = Hg(Cyanide)3Cl-2 + 2H2O
- log_k 43.8332
- delta_h 0 kcal
-3Cyanide- + Br- + Hg(OH)2 + 2H+ = Hg(Cyanide)3Br-2 + 2H2O
- log_k 44.9415
- delta_h 0 kcal
-Cyanide- + 2I- = I2Cyanide- + 2e-
- log_k -11.848
- delta_h 0 kcal
-2Cyanide- + I- = I(Cyanide)2- + 2e-
- log_k -11.458
- delta_h 0 kcal
-6Cyanide- + 3K+ + H+ + Fe+2 = K3HFe(Cyanide)6
- log_k 50.2241
- delta_h -85.99 kcal
-6Cyanide- + Li+ + Fe+2 = LiFe(Cyanide)6-3
- log_k 47.6858
- delta_h -80.149 kcal
-6Cyanide- + Mg+2 + Fe+3 = MgFe(Cyanide)6-
- log_k 55.3916
- delta_h -69.31 kcal
-6Cyanide- + Mg+2 + Fe+2 = MgFe(Cyanide)6-2
- log_k 49.4251
- delta_h 0 kcal
-4Cyanide- + Ni+2 = Ni(Cyanide)4-2
- log_k 30.1257
- delta_h -43.19 kcal
-Sr+2 + Fe+3 + 6Cyanide- = SrFe(Cyanide)6-
- log_k 55.6181
- delta_h -69.83 kcal
-4Cyanide- + Tl+ = Tl(Cyanide)4- + 2e-
- log_k -8.0189
- delta_h 0 kcal
-6Cyanide- + Tl+ + Fe+2 = TlFe(Cyanide)6-3
- log_k 48.7508
- delta_h -84.88 kcal
-4Cyanide- + Zn+2 = Zn(Cyanide)4-2
- log_k 16.715
- delta_h -25.539 kcal
-3Cyanide- + Zn+2 = Zn(Cyanide)3-
- log_k 16.048
- delta_h -20.199 kcal
-2Cyanide- + Zn+2 = Zn(Cyanide)2
- log_k 11.071
- delta_h -10.999 kcal
-3Cyanide- + Ni+2 = Ni(Cyanide)3-
- log_k 22.6346
- delta_h 0 kcal
-4Cyanide- + Ni+2 + H+ = NiH(Cyanide)4-
- log_k 36.7482
- delta_h 0 kcal
-4Cyanide- + Ni+2 + 2H+ = NiH2Cyanide4
- log_k 41.4576
- delta_h 0 kcal
-4Cyanide- + Ni+2 + 3H+ = NiH3(Cyanide)4+
- log_k 43.9498
- delta_h 0 kcal
-2Cyanide- + Ni+2 = Ni(Cyanide)2
- log_k 14.5864
- delta_h 0 kcal
-6Cyanide- + 2Fe+3 = Fe2(Cyanide)6
- log_k 56.9822
- delta_h 0 kcal
-2Cyanate- + Ag+ = Ag(Cyanate)2-
- log_k 5.0034
- delta_h 0 kcal
-3Cyanide- + Ag+ = Ag(Cyanide)3-2
- log_k 21.4002
- delta_h -33.495 kcal
-6Cyanide- + Fe+2 + Ba+2 = BaFe(Cyanide)6-2
- log_k 49.4032
- delta_h 0 kcal
-Acetate- + H+ = HAcetate
- log_k 4.76
- delta_h 0 kcal
- -gamma 0 0.06
-Tartrate-2 + H+ = HTartrate-
- log_k 4.16
- delta_h 0 kcal
- -gamma 0 0.01
-Tartrate-2 + 2H+ = H2Tartrate
- log_k 6.67
- delta_h 0 kcal
- -gamma 0 0.01
-Glycine- + H+ = HGlycine
- log_k 9.78
- delta_h 0 kcal
- -gamma 0 0.07
-Glycine- + 2H+ = H2Glycine+
- log_k 12.12
- delta_h 0 kcal
- -gamma 0 0.07
-Salicylate-2 + H+ = HSalicylate-
- log_k 13.4
- delta_h 0 kcal
- -gamma 0 0.01
-Salicylate-2 + 2H+ = H2Salicylate
- log_k 16.4
- delta_h 0 kcal
- -gamma 0 0.01
-Glutamate-2 + H+ = HGlutamate-
- log_k 9.95
- delta_h 0 kcal
- -gamma 0 0.01
-Glutamate-2 + 2H+ = H2Glutamate
- log_k 14.37
- delta_h 0 kcal
- -gamma 0 0.01
-Phthalate-2 + H+ = HPhthalate-
- log_k 5.4
- delta_h 0 kcal
- -gamma 0 0.01
-Phthalate-2 + 2H+ = H2Phthalate
- log_k 8.35
- delta_h 0 kcal
- -gamma 0 0.01
-Cd+2 + Acetate- = CdAcetate+
- log_k 1.93
- delta_h 0 kcal
- -gamma 0 0.01
-Cd+2 + Tartrate-2 = CdTartrate
- log_k 3.9
- delta_h 0 kcal
- -gamma 0 0.02
-Cd+2 + Glycine- = CdGlycine+
- log_k 4.8
- delta_h 0 kcal
-Cd+2 + 2Glycine- = CdGlycine2
- log_k 8.4
- delta_h 0 kcal
-Cd+2 + Glutamate-2 = CdGlutamate
- log_k 4.78
- delta_h 0 kcal
-Cd+2 + 2Glutamate-2 = CdGlutamate2-2
- log_k 2.78
- delta_h 0 kcal
-Cd+2 + Phthalate-2 = CdPhthalate
- log_k 2.5
- delta_h 0 kcal
-Pb+2 + Tartrate-2 = PbTartrate
- log_k 3.78
- delta_h 0 kcal
-Pb+2 + Glycine- = PbGlycine+
- log_k 5.47
- delta_h 0 kcal
-Pb+2 + 2Glycine- = PbGlycine2
- log_k 8.32
- delta_h 0 kcal
-Ba+2 + Acetate- = BaAcetate+
- log_k 1.07
- delta_h 0 kcal
-Ba+2 + Tartrate-2 = BaTartrate
- log_k 2.54
- delta_h 0 kcal
-Ba+2 + Glycine- = BaGlycine+
- log_k 0.77
- delta_h 0 kcal
-Ba+2 + Salicylate-2 = BaSalicylate
- log_k 0.21
- delta_h 0 kcal
-Ba+2 + Glutamate-2 = BaGlutamate
- log_k 1.28
- delta_h 0 kcal
-Ba+2 + Phthalate-2 = BaPhthalate
- log_k 2.33
- delta_h 0 kcal
-Ag+ + Acetate- = AgAcetate
- log_k 0.73
- delta_h 0 kcal
-Ag+ + 2Acetate- = AgAcetate2-
- log_k 0.64
- delta_h 0 kcal
-Ag+ + Glycine- = AgGlycine
- log_k 3.51
- delta_h 0 kcal
-Ag+ + 2Glycine- = AgGlycine2-
- log_k 3.38
- delta_h 0 kcal
-Cr(OH)2+ + Acetate- + 2H+ = CrAcetate+2 + 2H2O
- log_k 14.25
- delta_h 0 kcal
-Cr(OH)2+ + 2Acetate- + 2H+ = CrAcetate2+ + 2H2O
- log_k 16.68
- delta_h 0 kcal
-Cr(OH)2+ + 3Acetate- + 2H+ = CrAcetate3 + 2H2O
- log_k 19.2
- delta_h 0 kcal
-# Could not interpret MINTEQ data
-#Cr(OH)2+ + Glycine- = CrGlycine+2
-# log_k 8.4
-# delta_h 0 kcal
-#Cr(OH)2+ + 2Glycine- = CrGlycine2
-# log_k 6.4
-# delta_h 0 kcal
-#Cr(OH)2+ + 3Glycine- = CrGlycine3-
-# log_k 5.7
-# delta_h 0 kcal
-Cr(OH)2+ + Phthalate-2 + 2H+ = CrPhthalate+ + 2H2O
- log_k 15.14
- delta_h 0 kcal
-Cr(OH)2+ + 2Phthalate-2 + 2H+ = CrPhthalate2- + 2H2O
- log_k 19.62
- delta_h 0 kcal
-Cr(OH)2+ + 3Phthalate-2 + 2H+ = CrPhthalate3-3 + 2H2O
- log_k 22.1
- delta_h 0 kcal
-Tl+ + Tartrate-2 = TlTartrate-
- log_k 1.39
- delta_h 0 kcal
-Hg2+2 + Glycine- = Hg2Glycine+
- log_k 10.8
- delta_h 0 kcal
-Hg2+2 + 2Glycine- = Hg2Glycine2
- log_k 20
- delta_h 0 kcal
-Cd+2 + Butanoate- = CdButanoate+
- log_k 1.25
- delta_h 0 kcal
-Cd+2 + Citrate-3 = CdCitrate-
- log_k 5.3
- delta_h 0 kcal
-Cd+2 + Citrate-3 + 2H+ = CdH2Citrate+
- log_k 2.05
- delta_h 0 kcal
-Cd+2 + Citrate-3 + H+ = CdHCitrate
- log_k 3.37
- delta_h 0 kcal
-Cd+2 + 2Citrate-3 = CdCitrate2-4
- log_k 5.34
- delta_h 0 kcal
-Cd+2 + Edta-4 + H+ = CdHEdta-
- log_k 2.9
- delta_h 0 kcal
-Cd+2 + 2Acetate- = CdAcetate2
- log_k 3.15
- delta_h 0 kcal
-Cd+2 + 3Acetate- = CdAcetate3-
- log_k 2.17
- delta_h 0 kcal
-Cd+2 + 4Acetate- = CdAcetate4-2
- log_k 2.04
- delta_h 0 kcal
-Cd+2 + Diethylamine = CdDiethylamine+2
- log_k 2.62
- delta_h 0 kcal
-Cd+2 + 2Diethylamine = CdDiethylamine2+2
- log_k 4.86
- delta_h 0 kcal
-Cd+2 + 3Diethylamine = CdDiethylamine3+2
- log_k 6.36
- delta_h 0 kcal
-Cd+2 + 4Diethylamine = CdDiethylamine4+2
- log_k 7.31
- delta_h 0 kcal
-Cd+2 + Propanoate- = CdPropanoate+
- log_k 1.19
- delta_h 0 kcal
-Cd+2 + 2Propanoate- = CdPropanoate2
- log_k 1.86
- delta_h 0 kcal
-Cd+2 + 3Propanoate- = CdPropanoate3-
- log_k 2.345
- delta_h 0 kcal
-Cd+2 + 4Propanoate- = CdPropanoate4-2
- log_k 1.98
- delta_h 0 kcal
-Cd+2 + 2Butanoate- = CdButanoate2
- log_k 1.98
- delta_h 0 kcal
-Cd+2 + 3Butanoate- = CdButanoate3-
- log_k 2.34
- delta_h 0 kcal
-Cd+2 + 4Butanoate- = CdButanoate4-2
- log_k 1.98
- delta_h 0 kcal
-Cd+2 + Npropylamine = CdNpropylamine+2
- log_k 2.62
- delta_h 0 kcal
-Cd+2 + 2Npropylamine = CdNpropylamine2+2
- log_k 4.64
- delta_h 0 kcal
-Cd+2 + 3Npropylamine = CdNpropylamine3+2
- log_k 6.03
- delta_h 0 kcal
-Cd+2 + Isopropylamine = CdIsopropylamine+2
- log_k 2.55
- delta_h 0 kcal
-Cd+2 + 2Isopropylamine = CdIsopropylamine2+2
- log_k 4.57
- delta_h 0 kcal
-Cd+2 + 3Isopropylamine = CdIsopropylamine3+2
- log_k 6.07
- delta_h 0 kcal
-Cd+2 + 4Isopropylamine = CdIsopropylamine4+2
- log_k 6.9
- delta_h 0 kcal
-Benzoate- + H+ = HBenzoate
- log_k 4.2
- delta_h 0 kcal
-Para_acetate- + 2H+ = H2Para_acetate+
- log_k 4.31
- delta_h 0 kcal
-Isophthalate-2 + H+ = HIsophthalate-
- log_k 3.5
- delta_h 0 kcal
-Isophthalate-2 + 2H+ = H2Isophthalate
- log_k 8
- delta_h 0 kcal
-Propanoate- + Fe+3 = FePropanoate+2
- log_k 3.4
- delta_h 0 kcal
-Isobutyrate- + Fe+3 = FeIsobutyrate+2
- log_k 3.6
- delta_h 0 kcal
-Butanoate- + Fe+3 = FeButanoate+2
- log_k 5.56
- delta_h 0 kcal
-Isovalerate- + Fe+3 = FeIsovalerate+2
- log_k 5.58
- delta_h 0 kcal
-Valerate- + Fe+3 = FeValerate+2
- log_k 5.58
- delta_h 0 kcal
-Benzoate- + Cu+2 = CuBenzoate+
- log_k 2.1
- delta_h 0 kcal
-Para_acetate- + Cu+2 = CuPara_acetate+
- log_k 1.97
- delta_h 0 kcal
-Isobutyrate- + Ba+2 = BaIsobutyrate+
- log_k 0.64
- delta_h 0 kcal
-Isovalerate- + Ba+2 = BaIsovalerate+
- log_k 0.68
- delta_h 0 kcal
-Valerate- + Ba+2 = BaValerate+
- log_k 0.66
- delta_h 0 kcal
-Isophthalate-2 + Ba+2 = BaIsophthalate
- log_k 1.55
- delta_h 0 kcal
-Isobutyrate- + Cd+2 = CdIsobutyrate+
- log_k 1.17
- delta_h 0 kcal
-Valerate- + Cd+2 = CdValerate+
- log_k 1.19
- delta_h 0 kcal
-Benzoate- + Cd+2 = CdBenzoate+
- log_k 1.9
- delta_h 0 kcal
-2Benzoate- + Cd+2 = CdBenzoate2
- log_k 1.65
- delta_h 0 kcal
-Para_acetate- + Zn+2 = ZnPara_acetate+
- log_k 1.67
- delta_h 0 kcal
-Para_acetate- + Cd+2 = CdPara_acetate+
- log_k 1.15
- delta_h 0 kcal
-2Para_acetate- + Cd+2 = CdPara_acetate2
- log_k 1.92
- delta_h 0 kcal
-Isophthalate-2 + Cd+2 = CdIsophthalate
- log_k 1.33
- delta_h 0 kcal
-2Isophthalate-2 + Cd+2 = CdIsophthalate2-2
- log_k 2.17
- delta_h 0 kcal
-2Isophthalate-2 + Cd+2 + H+ = CdIsophthalate2H-
- log_k 5.32
- delta_h 0 kcal
-2H+ + Isobutyrate- + Cr(OH)2+ = CrIsobutyrate+2 + 2H2O
- log_k 12.73
- delta_h 0 kcal
-2H+ + Butanoate- + Cr(OH)2+ = CrButanoate+2 + 2H2O
- log_k 12.74
- delta_h 0 kcal
-2H+ + Isovalerate- + Cr(OH)2+ = CrIsovalerate+2 + 2H2O
- log_k 12.76
- delta_h 0 kcal
-2H+ + Valerate- + Cr(OH)2+ = CrValerate+2 + 2H2O
- log_k 12.75
- delta_h 0 kcal
-Isobutyrate- + Pb+2 = PbIsobutyrate+
- log_k 2.67
- delta_h 0 kcal
-Isovalerate- + Pb+2 = PbIsovalerate+
- log_k 2.05
- delta_h 0 kcal
-Valerate- + Pb+2 = PbValerate+
- log_k 2.06
- delta_h 0 kcal
-Benzoate- + Pb+2 = PbBenzoate+
- log_k 2.5
- delta_h 0 kcal
-Benzoate- + Mg+2 = MgBenzoate+
- log_k 0.1
- delta_h 0 kcal
-Benzoate- + Ca+2 = CaBenzoate+
- log_k 0.2
- delta_h 0 kcal
-Benzoate- + Zn+2 = ZnBenzoate+
- log_k 1.4
- delta_h 0 kcal
-Isophthalate-2 + Pb+2 = PbIsophthalate
- log_k 2.17
- delta_h 0 kcal
-2Isophthalate-2 + Pb+2 = PbIsophthalate2-2
- log_k 3.36
- delta_h 0 kcal
-Isophthalate-2 + Pb+2 + H+ = PbIsophthalateH+
- log_k 6.28
- delta_h 0 kcal
-2H+ + Isobutyrate- + Hg(OH)2 = HgIsobutyrate+ + 2H2O
- log_k 10.687
- delta_h 0 kcal
-2H+ + Butanoate- + Hg(OH)2 = HgButanoate+ + 2H2O
- log_k 10.097
- delta_h 0 kcal
-2H+ + Isovalerate- + Hg(OH)2 = HgIsovalerate+ + 2H2O
- log_k 10.717
- delta_h 0 kcal
-2H+ + Valerate- + Hg(OH)2 = HgValerate+ + 2H2O
- log_k 10.727
- delta_h 0 kcal
-2H+ + Phthalate-2 + Hg(OH)2 = HgPhthalate + 2H2O
- log_k 10.997
- delta_h 0 kcal
-Isobutyrate- + Ni+2 = NiIsobutyrate+
- log_k 1.23
- delta_h 0 kcal
-Isovalerate- + Ni+2 = NiIsovalerate+
- log_k 1.27
- delta_h 0 kcal
-Valerate- + Ni+2 = NiValerate+
- log_k 1.26
- delta_h 0 kcal
-Benzoate- + Ni+2 = NiBenzoate+
- log_k 1.4
- delta_h 0 kcal
-Para_acetate- + Ni+2 = NiPara_acetate+
- log_k 0.65
- delta_h 0 kcal
-2Para_acetate- + Ni+2 = NiPara_acetate2
- log_k 0.99
- delta_h 0 kcal
-Phthalate-2 + Ni+2 + H+ = NiPhthalateH+
- log_k 6.1
- delta_h 0 kcal
-Cr+2 + Edta-4 + H+ = CrHEdta-
- log_k 6.1
- delta_h 0 kcal
-Cr(OH)2+ + Propanoate- + 2H+ = CrPropanoate+2 + 2H2O
- log_k 14.32
- delta_h 0 kcal
-Cr(OH)2+ + 2Propanoate- + 2H+ = CrPropanoate2+ + 2H2O
- log_k 16.66
- delta_h 0 kcal
-Cr(OH)2+ + 3Propanoate- + 2H+ = CrPropanoate3 + 2H2O
- log_k 19.32
- delta_h 0 kcal
-Cr+2 + Acetate- = CrAcetate+
- log_k 1.8
- delta_h 0 kcal
-Cr+2 + 2Acetate- = CrAcetate2
- log_k 2.92
- delta_h 0 kcal
-Cu+2 + Edta-4 = CuEdta-2
- log_k 18.785
- delta_h 0 kcal
-Cu+2 + Edta-4 + H+ = CuHEdta-
- log_k 11.195
- delta_h 0 kcal
-Cu+2 + 2Acetate- = CuAcetate2
- log_k 3.63
- delta_h 0 kcal
-Cu+2 + 3Acetate- = CuAcetate3-
- log_k 3.1
- delta_h 0 kcal
-Cu+2 + 4Acetate- = CuAcetate4-2
- log_k 2.9
- delta_h 0 kcal
-Cu+2 + Propanoate- = CuPropanoate+
- log_k 2.22
- delta_h 0 kcal
-Cu+2 + 2Propanoate- = CuPropanoate2
- log_k 2.62
- delta_h 0 kcal
-Cu+2 + 3Propanoate- = CuPropanoate3-
- log_k 2.3
- delta_h 0 kcal
-Cu+2 + 4Propanoate- = CuPropanoate4-2
- log_k 2.7
- delta_h 0 kcal
-Cu+2 + 2Methylamine = CuMethylamine2+2
- log_k 7.51
- delta_h 0 kcal
-Cu+2 + Dimethylamine = CuDimethylamine+2
- log_k 3.21
- delta_h 0 kcal
-Cu+2 + 2Dimethylamine = CuDimethylamine2+2
- log_k 5.66
- delta_h 0 kcal
-Cu+2 + 3Dimethylamine = CuDimethylamine3+2
- log_k 7.26
- delta_h 0 kcal
-Cu+2 + Butanoate- = CuButanoate+
- log_k 2.14
- delta_h 0 kcal
-Cu+2 + 2Butanoate- = CuButanoate2
- log_k 2.6
- delta_h 0 kcal
-Cu+2 + 3Butanoate- = CuButanoate3-
- log_k 2.3
- delta_h 0 kcal
-Cu+2 + 4Butanoate- = CuButanoate4-2
- log_k 2.95
- delta_h 0 kcal
-Cu+2 + Isobutyrate- = CuIsobutyrate+
- log_k 2.17
- delta_h 0 kcal
-Cu+2 + 2Isobutyrate- = CuIsobutyrate2
- log_k 2.7
- delta_h 0 kcal
-Pb+2 + Citrate-3 = PbCitrate-
- log_k 4.34
- delta_h 0 kcal
-Pb+2 + 2Citrate-3 = PbCitrate2-4
- log_k 6.08
- delta_h 0 kcal
-Pb+2 + 3Citrate-3 = PbCitrate3-7
- log_k 6.97
- delta_h 0 kcal
-Pb+2 + Nta-3 = PbNta-
- log_k 11.6233
- delta_h 0 kcal
-Pb+2 + Nta-3 + H+ = PbHNta
- log_k 3.795
- delta_h 0 kcal
-Pb+2 + Edta-4 + H+ = PbHEdta-
- log_k 9.68
- delta_h 0 kcal
-Pb+2 + Edta-4 + 2H+ = PbH2Edta
- log_k 6.22
- delta_h 0 kcal
-Pb+2 + Acetate- = PbAcetate+
- log_k 2.87
- delta_h 0 kcal
-Pb+2 + 2Acetate- = PbAcetate2
- log_k 4.08
- delta_h 0 kcal
-Pb+2 + 3Acetate- = PbAcetate3-
- log_k 3.59
- delta_h 0 kcal
-Pb+2 + Propanoate- = PbPropanoate+
- log_k 2.64
- delta_h 0 kcal
-Pb+2 + 2Propanoate- = PbPropanoate2
- log_k 4.15
- delta_h 0 kcal
-Pb+2 + 3Propanoate- = PbPropanoate3-
- log_k 2.99
- delta_h 0 kcal
-Pb+2 + 4Propanoate- = PbPropanoate4-2
- log_k 4.18
- delta_h 0 kcal
-Pb+2 + Butanoate- = PbButanoate+
- log_k 2.125
- delta_h 0 kcal
-Pb+2 + 2Butanoate- = PbButanoate2
- log_k 3.735
- delta_h 0 kcal
-Pb+2 + 3Butanoate- = PbButanoate3-
- log_k 4.125
- delta_h 0 kcal
-Pb+2 + 4Butanoate- = PbButanoate4-2
- log_k 4.43
- delta_h 0 kcal
-Ni+2 + Citrate-3 = NiCitrate-
- log_k 6.62
- delta_h 0 kcal
-Ni+2 + Citrate-3 + H+ = NiCitrateH
- log_k 4.09
- delta_h 0 kcal
-Ni+2 + Citrate-3 + 2H+ = NiCitrateH2+
- log_k 2.13
- delta_h 0 kcal
-Ni+2 + Edta-4 = NiEdta-2
- log_k 20.33
- delta_h 0 kcal
-Ni+2 + Edta-4 + H+ = NiHEdta-
- log_k 11.56
- delta_h 0 kcal
-Ni+2 + Propanoate- = NiPropanoate+
- log_k 0.73
- delta_h 0 kcal
-Ni+2 + 2Propanoate- = NiPropanoate2
- log_k 0.8
- delta_h 0 kcal
-Ni+2 + 3Propanoate- = NiPropanoate3-
- log_k 0.97
- delta_h 0 kcal
-Ni+2 + Butanoate- = NiButanoate+
- log_k 0.77
- delta_h 0 kcal
-Ni+2 + 2Butanoate- = NiButanoate2
- log_k 0.85
- delta_h 0 kcal
-Ni+2 + 3Butanoate- = NiButanoate3-
- log_k 1.34
- delta_h 0 kcal
-Ni+2 + Npropylamine = NiNpropylamine+2
- log_k 2.81
- delta_h 0 kcal
-Ni+2 + 2Npropylamine = NiNpropylamine2+2
- log_k 5.02
- delta_h 0 kcal
-Ni+2 + 3Npropylamine = NiNpropylamine3+2
- log_k 6.79
- delta_h 0 kcal
-Ni+2 + 4Npropylamine = NiNpropylamine4+2
- log_k 8.31
- delta_h 0 kcal
-Ni+2 + Isopropylamine = NiIsopropylamine+2
- log_k 2.71
- delta_h 0 kcal
-Ni+2 + 2Isopropylamine = NiIsopropylamine2+2
- log_k 4.86
- delta_h 0 kcal
-Ni+2 + 3Isopropylamine = NiIsopropylamine3+2
- log_k 6.57
- delta_h 0 kcal
-Ni+2 + 4Isopropylamine = NiIsopropylamine4+2
- log_k 7.83
- delta_h 0 kcal
-Ni+2 + 5Isopropylamine = NiIsopropylamine5+2
- log_k 8.43
- delta_h 0 kcal
-Ag+ + Diethylamine = AgDiethylamine+
- log_k 3.965
- delta_h 0 kcal
-Ag+ + 2Diethylamine = AgDiethylamine2+
- log_k 7.02
- delta_h 0 kcal
-Ag+ + Methylamine = AgMethylamine+
- log_k 3.18
- delta_h 0 kcal
-Ag+ + 2Methylamine = AgMethylamine2+
- log_k 7.14
- delta_h 0 kcal
-Ag+ + Hexylamine = AgHexylamine+
- log_k 3.66
- delta_h 0 kcal
-Ag+ + 2Hexylamine = AgHexylamine2+
- log_k 7.35
- delta_h 0 kcal
-Ag+ + Isopropylamine = AgIsopropylamine+
- log_k 3.19
- delta_h 0 kcal
-Ag+ + 2Isopropylamine = AgIsopropylamine2+
- log_k 6.85
- delta_h 0 kcal
-Ag+ + Nbutylamine = AgNbutylamine+
- log_k 3.55
- delta_h 0 kcal
-Ag+ + 2Nbutylamine = AgNbutylamine2+
- log_k 7.77
- delta_h 0 kcal
-Ag+ + Glutamate-2 = AgGlutamate-
- log_k 3.79
- delta_h 0 kcal
-Ag+ + 2Glutamate-2 = AgGlutamate2-3
- log_k 6.55
- delta_h 0 kcal
-Ag+ + Nta-3 = AgNta-2
- log_k 5.36
- delta_h 0 kcal
-Ag+ + Edta-4 = AgEdta-3
- log_k 7.355
- delta_h 0 kcal
-Ag+ + 2Edta-4 = AgEdta2-7
- log_k 11.355
- delta_h 0 kcal
-Ag+ + Edta-4 + H+ = AgHEdta-2
- log_k 3.36
- delta_h 0 kcal
-Ag+ + Two_methylpyridine = AgTwo_methylpyridine+
- log_k 2.32
- delta_h 0 kcal
-Ag+ + 2Two_methylpyridine = AgTwo_methylpyridine2+
- log_k 4.68
- delta_h 0 kcal
-Ag+ + Three_methylpyridine = AgThree_methylpyridine+
- log_k 2.2
- delta_h 0 kcal
-Ag+ + 2Three_methylpyridine = AgThree_methylpyridine2+
- log_k 4.46
- delta_h 0 kcal
-Ag+ + Four_methylpyridine = AgFour_methylpyridine+
- log_k 2.21
- delta_h 0 kcal
-Ag+ + 2Four_methylpyridine = AgFour_methylpyridine2+
- log_k 4.67
- delta_h 0 kcal
-Ag+ + Npropylamine = AgNpropylamine+
- log_k 3.47
- delta_h 0 kcal
-Ag+ + 2Npropylamine = AgNpropylamine2+
- log_k 7.51
- delta_h 0 kcal
-Zn+2 + Glutamate-2 = ZnGlutamate
- log_k 3.79
- delta_h 0 kcal
-Zn+2 + 2Glutamate-2 = ZnGlutamate2-2
- log_k 8.25
- delta_h 0 kcal
-Zn+2 + 3Glutamate-2 = ZnGlutamate3-4
- log_k 9.8
- delta_h 0 kcal
-Zn+2 + Three_methylpyridine = ZnThree_methylpyridine+2
- log_k 1
- delta_h 0 kcal
-Zn+2 + 2Three_methylpyridine = ZnThree_methylpyridine2+2
- log_k 2.1
- delta_h 0 kcal
-Zn+2 + 3Three_methylpyridine = ZnThree_methylpyridine3+2
- log_k 2.6
- delta_h 0 kcal
-Zn+2 + 4Three_methylpyridine = ZnThree_methylpyridine4+2
- log_k 3.7
- delta_h 0 kcal
-Zn+2 + Glycine- = ZnGlycine+
- log_k 5.38
- delta_h 0 kcal
-Zn+2 + 2Glycine- = ZnGlycine2
- log_k 9.81
- delta_h 0 kcal
-Zn+2 + 3Glycine- = ZnGlycine3-
- log_k 12.3
- delta_h 0 kcal
-Zn+2 + Citrate-3 = ZnCitrate-
- log_k 6.1
- delta_h 0 kcal
-Zn+2 + 2Citrate-3 = ZnCitrate2-4
- log_k 6.7
- delta_h 0 kcal
-Zn+2 + Citrate-3 + H+ = ZnCitrateH
- log_k 3.78
- delta_h 0 kcal
-Zn+2 + Citrate-3 + 2H+ = ZnCitrateH2+
- log_k 1.68
- delta_h 0 kcal
-Zn+2 + Phthalate-2 = ZnPhthalate
- log_k 2.91
- delta_h 0 kcal
-Zn+2 + 2Phthalate-2 = ZnPhthalate2-2
- log_k 4.2
- delta_h 0 kcal
-Pb+2 + Glutamate-2 = PbGlutamate
- log_k 4.7
- delta_h 0 kcal
-Pb+2 + 2Glutamate-2 = PbGlutamate2-2
- log_k 7.55
- delta_h 0 kcal
-Pb+2 + Edta-4 = PbEdta-2
- log_k 17.88
- delta_h 0 kcal
-Pb+2 + Phthalate-2 = PbPhthalate
- log_k 2.78
- delta_h 0 kcal
-Pb+2 + 2Phthalate-2 = PbPhthalate2-2
- log_k 4.01
- delta_h 0 kcal
-Pb+2 + Phthalate-2 + H+ = PbPhthalateH+
- log_k 6.56
- delta_h 0 kcal
-Pb+2 + 4Acetate- = PbAcetate4-2
- log_k 3.4
- delta_h 0 kcal
-Cu+2 + Nta-3 = CuNta-
- log_k 13.1
- delta_h 0 kcal
-Cu+2 + 2Nta-3 = CuNta2-4
- log_k 17.5
- delta_h 0 kcal
-Cu+2 + Methylamine = CuMethylamine+2
- log_k 4.11
- delta_h 0 kcal
-Cu+2 + 3Methylamine = CuMethylamine3+2
- log_k 10.21
- delta_h 0 kcal
-Cu+2 + 4Methylamine = CuMethylamine4+2
- log_k 12.08
- delta_h 0 kcal
-Cu+2 + Three_methylpyridine = CuThree_methylpyridine+2
- log_k 2.74
- delta_h 0 kcal
-Cu+2 + 2Three_methylpyridine = CuThree_methylpyridine2+2
- log_k 4.8
- delta_h 0 kcal
-Cu+2 + 3Three_methylpyridine = CuThree_methylpyridine3+2
- log_k 6.3
- delta_h 0 kcal
-Cu+2 + 4Three_methylpyridine = CuThree_methylpyridine4+2
- log_k 7.2
- delta_h 0 kcal
-Cu+2 + Four_methylpyridine = CuFour_methylpyridine+2
- log_k 2.88
- delta_h 0 kcal
-Cu+2 + 2Four_methylpyridine = CuFour_methylpyridine2+2
- log_k 5.16
- delta_h 0 kcal
-Cu+2 + 3Four_methylpyridine = CuFour_methylpyridine3+2
- log_k 6.77
- delta_h 0 kcal
-Cu+2 + 4Four_methylpyridine = CuFour_methylpyridine4+2
- log_k 8.08
- delta_h 0 kcal
-Cu+2 + 5Four_methylpyridine = CuFour_methylpyridine5+2
- log_k 8.3
- delta_h 0 kcal
-# Duplicate entry
-#Cu+2 + Glutamate-2 = CuGlutamate
-# log_k 8.33
-# delta_h 0 kcal
-Cu+2 + Citrate-3 = CuCitrate-
- log_k 7.26
- delta_h 0 kcal
-Cu+2 + 2Citrate-3 = CuCitrate2-4
- log_k 8.72
- delta_h 0 kcal
-Cu+2 + Citrate-3 + H+ = CuHCitrate
- log_k 4.27
- delta_h 0 kcal
-Cu+2 + Citrate-3 + 2H+ = CuH2Citrate+
- log_k 2.2
- delta_h 0 kcal
-Cu+2 + Isovalerate- = CuIsovalerate+
- log_k 2.08
- delta_h 0 kcal
-Cu+2 + Phthalate-2 = CuPhthalate
- log_k 4.04
- delta_h 0 kcal
-Cu+2 + Phthalate-2 + H+ = CuPhthalateH+
- log_k 6.74
- delta_h 0 kcal
- -gamma 4 0
-Cu+2 + Valerate- = CuValerate+
- log_k 2.12
- delta_h 0 kcal
-Cu+2 + 2Valerate- = CuValerate2
- log_k 3
- delta_h 0 kcal
-Ba+2 + Edta-4 = BaEdta-2
- log_k 8
- delta_h 0 kcal
-Ba+2 + Citrate-3 = BaCitrate-
- log_k 4.06
- delta_h 0 kcal
-Ba+2 + Citrate-3 + H+ = BaCitrateH
- log_k 2.7
- delta_h 0 kcal
-Ba+2 + Citrate-3 + 2H+ = BaCitrateH2+
- log_k 1.27
- delta_h 0 kcal
-Ba+2 + Propanoate- = BaPropanoate+
- log_k 0.34
- delta_h 0 kcal
-Ba+2 + Butanoate- = BaButanoate+
- log_k 0.94
- delta_h 0 kcal
-Cr+2 + Edta-4 = CrEdta-2
- log_k 13.61
- delta_h 0 kcal
-Ni+2 + Two_methylpyridine = NiTwo_methylpyridine+2
- log_k 0.4
- delta_h 0 kcal
-Ni+2 + Three_methylpyridine = NiThree_methylpyridine+2
- log_k 2.02
- delta_h 0 kcal
-Ni+2 + 2Three_methylpyridine = NiThree_methylpyridine2+2
- log_k 3.3
- delta_h 0 kcal
-Ni+2 + 3Three_methylpyridine = NiThree_methylpyridine3+2
- log_k 4.1
- delta_h 0 kcal
-Ni+2 + 4Three_methylpyridine = NiThree_methylpyridine4+2
- log_k 4.6
- delta_h 0 kcal
-Ni+2 + Four_methylpyridine = NiFour_methylpyridine+2
- log_k 2.11
- delta_h 0 kcal
-Ni+2 + 2Four_methylpyridine = NiFour_methylpyridine2+2
- log_k 3.59
- delta_h 0 kcal
-Ni+2 + 3Four_methylpyridine = NiFour_methylpyridine3+2
- log_k 4.34
- delta_h 0 kcal
-Ni+2 + 4Four_methylpyridine = NiFour_methylpyridine4+2
- log_k 4.7
- delta_h 0 kcal
- -gamma 0 0.04
-Ni+2 + Diethylamine = NiDiethylamine1+2
- log_k 2.78
- delta_h 0 kcal
-Ni+2 + 2Diethylamine = NiDiethylamine2+2
- log_k 4.97
- delta_h 0 kcal
-Ni+2 + 3Diethylamine = NiDiethylamine3+2
- log_k 6.72
- delta_h 0 kcal
-Ni+2 + 4Diethylamine = NiDiethylamine4+2
- log_k 7.93
- delta_h 0 kcal
-Ni+2 + 5Diethylamine = NiDiethylamine5+2
- log_k 8.87
- delta_h 0 kcal
-Ni+2 + 3Glycine- = NiGlycine3-
- log_k 14.2
- delta_h 0 kcal
-Cd+2 + Three_methylpyridine = CdThree_methylpyridine+2
- log_k 1.62
- delta_h 0 kcal
-Cd+2 + 2Three_methylpyridine = CdThree_methylpyridine2+2
- log_k 2.8
- delta_h 0 kcal
-Cd+2 + 3Three_methylpyridine = CdThree_methylpyridine3+2
- log_k 3.6
- delta_h 0 kcal
-Cd+2 + 4Three_methylpyridine = CdThree_methylpyridine4+2
- log_k 4
- delta_h 0 kcal
-Cd+2 + Four_methylpyridine = CdFour_methylpyridine+2
- log_k 1.51
- delta_h 0 kcal
-Cd+2 + 2Four_methylpyridine = CdFour_methylpyridine2+2
- log_k 2.5
- delta_h 0 kcal
-Cd+2 + 3Four_methylpyridine = CdFour_methylpyridine3+2
- log_k 2.9
- delta_h 0 kcal
-Cd+2 + 4Four_methylpyridine = CdFour_methylpyridine4+2
- log_k 4
- delta_h 0 kcal
-Cd+2 + 3Glycine- = CdGlycine3-
- log_k 10.7
- delta_h 0 kcal
-Cd+2 + 2Phthalate-2 = CdPhthalate2-2
- log_k 2.88
- delta_h 0 kcal
-Cd+2 + Phthalate-2 + H+ = CdPhthalateH+
- log_k 5.88
- delta_h 0 kcal
-Cd+2 + Isovalerate- = CdIsovalerate+
- log_k 1.34
- delta_h 0 kcal
-Cd+2 + 2Isovalerate- = CdIsovalerate2
- log_k 2.3
- delta_h 0 kcal
-Cd+2 + 3Isovalerate- = CdIsovalerate3-
- log_k 2.5
- delta_h 0 kcal
-Cd+2 + 4Isovalerate- = CdIsovalerate4-2
- log_k 2
- delta_h 0 kcal
-0.5Hg2+2 + Formate- = HgFormate
- log_k 2.94
- delta_h 0 kcal
-0.5Hg2+2 + 2Formate- = HgFormate2-
- log_k 5.45
- delta_h 0 kcal
-0.5Hg2+2 + Acetate- = HgAcetate
- log_k 7.14
- delta_h 0 kcal
-0.5Hg2+2 + 2Acetate- = HgAcetate2-
- log_k 13.26
- delta_h 0 kcal
-0.5Hg2+2 + Propanoate- = HgPropanoate
- log_k 3.72
- delta_h 0 kcal
-0.5Hg2+2 + 2Propanoate- = HgPropanoate2-
- log_k 6.99
- delta_h 0 kcal
-Hg(OH)2 + Propanoate- + 2H+ = HgPropanoate+ + 2H2O
- log_k 9.417
- delta_h 0 kcal
-Hg(OH)2 + 2Propanoate- + 2H+ = HgPropanoate2 + 2H2O
- log_k 13.107
- delta_h 0 kcal
-Tl+ + Citrate-3 = TlCitrate-2
- log_k 1.61
- delta_h 0 kcal
-Tl+ + Nta-3 = TlNta-2
- log_k 4.71
- delta_h 0 kcal
-Tl+ + Edta-4 = TlEdta-3
- log_k 6.41
- delta_h 0 kcal
-Tl+ + Acetate- = TlAcetate
- log_k -0.11
- delta_h 0 kcal
-Zn+2 + Edta-4 = ZnEdta-2
- log_k 16.44
- delta_h 0 kcal
-Zn+2 + Edta-4 + H+ = ZnHEdta-
- log_k 9
- delta_h 0 kcal
-Zn+2 + Acetate- = ZnAcetate+
- log_k 1.57
- delta_h 0 kcal
-Zn+2 + 2Acetate- = ZnAcetate2
- log_k 1.9
- delta_h 0 kcal
-Zn+2 + 3Acetate- = ZnAcetate3-
- log_k 1.57
- delta_h 0 kcal
-Zn+2 + 4Acetate- = ZnAcetate4-2
- log_k 1.36
- delta_h 0 kcal
-Zn+2 + Diethylamine = ZnDiethylamine+2
- log_k 2.51
- delta_h 0 kcal
-Zn+2 + 2Diethylamine = ZnDiethylamine2+2
- log_k 4.96
- delta_h 20 kcal
-Zn+2 + 3Diethylamine = ZnDiethylamine3+2
- log_k 7.49
- delta_h 0 kcal
-Zn+2 + 4Diethylamine = ZnDiethylamine4+2
- log_k 9.83
- delta_h 0 kcal
-Zn+2 + Propanoate- = ZnPropanoate+
- log_k 0.72
- delta_h 0 kcal
-Zn+2 + 2Propanoate- = ZnPropanoate2
- log_k 1.23
- delta_h 0 kcal
-Zn+2 + 3Propanoate- = ZnPropanoate3-
- log_k 1.82
- delta_h 0 kcal
-Zn+2 + 4Propanoate- = ZnPropanoate4-2
- log_k 1.36
- delta_h 0 kcal
-Zn+2 + Butanoate- = ZnButanoate+
- log_k 0.983
- delta_h 0 kcal
-Zn+2 + 2Butanoate- = ZnButanoate2
- log_k 1.65
- delta_h 0 kcal
-Zn+2 + 3Butanoate- = ZnButanoate3-
- log_k 1.69
- delta_h 0 kcal
-Zn+2 + 4Butanoate- = ZnButanoate4-2
- log_k 2.05
- delta_h 0 kcal
-Zn+2 + Npropylamine = ZnNpropylamine+2
- log_k 2.42
- delta_h 0 kcal
-Zn+2 + 2Npropylamine = ZnNpropylamine2+2
- log_k 4.85
- delta_h 0 kcal
-Zn+2 + 3Npropylamine = ZnNpropylamine3+2
- log_k 7.38
- delta_h 0 kcal
-Zn+2 + 4Npropylamine = ZnNpropylamine4+2
- log_k 9.49
- delta_h 0 kcal
-Zn+2 + Isopropylamine = ZnIsopropylamine1+2
- log_k 2.37
- delta_h 0 kcal
-Zn+2 + 2Isopropylamine = ZnIsopropylamine2+2
- log_k 4.67
- delta_h 0 kcal
-Zn+2 + 3Isopropylamine = ZnIsopropylamine3+2
- log_k 7.14
- delta_h 0 kcal
-Zn+2 + 4Isopropylamine = ZnIsopropylamine4+2
- log_k 9.44
- delta_h 0 kcal
-H+ + Citrate-3 = CitrateH-2
- log_k 6.33
- delta_h 0 kcal
-2H+ + Citrate-3 = CitrateH2-
- log_k 11.05
- delta_h 0 kcal
-3H+ + Citrate-3 = CitrateH3
- log_k 14.18
- delta_h 0 kcal
-Ca+2 + Citrate-3 = CaCitrate-
- log_k 4.73
- delta_h 0 kcal
-Ca+2 + Citrate-3 + H+ = CaCitrateH
- log_k 3.02
- delta_h 0 kcal
-Ca+2 + Citrate-3 + 2H+ = CaCitrateH2+
- log_k 1.29
- delta_h 0 kcal
-Mn+2 + Citrate-3 = MnCitrate-
- log_k 5.28
- delta_h 0 kcal
-Mn+2 + Citrate-3 + H+ = MnCitrateH
- log_k 3.02
- delta_h 0 kcal
-Fe+2 + Citrate-3 = FeCitrate-
- log_k 5.7
- delta_h 0 kcal
-Fe+2 + Citrate-3 + H+ = FeCitrateH
- log_k 3.5
- delta_h 0 kcal
-Fe+3 + Citrate-3 = FeCitrate
- log_k 12.55
- delta_h 0 kcal
-Fe+3 + Citrate-3 + H+ = FeCitrateH+
- log_k 19.8
- delta_h 0 kcal
-H+ + Ethylenediamine = HEthylenediamine+
- log_k 9.96
- delta_h 0 kcal
-2H+ + Ethylenediamine = H2Ethylenediamine+2
- log_k 16.85
- delta_h 0 kcal
-Cu+2 + Ethylenediamine = CuEthylenediamine+2
- log_k 10.49
- delta_h 0 kcal
-Cu+2 + 2Ethylenediamine = CuEthylenediamine2+2
- log_k 19.62
- delta_h 0 kcal
-Cd+2 + Ethylenediamine = CdEthylenediamine+2
- log_k 5.61
- delta_h 0 kcal
-Cd+2 + 2Ethylenediamine = CdEthylenediamine2+2
- log_k 10.34
- delta_h 0 kcal
-Cd+2 + 3Ethylenediamine = CdEthylenediamine3+2
- log_k 12.26
- delta_h 0 kcal
-Ag+ + Ethylenediamine = AgEthylenediamine+
- log_k 4.7
- delta_h 0 kcal
-Ag+ + 2Ethylenediamine = AgEthylenediamine2+
- log_k 7.7
- delta_h 0 kcal
-Ag+ + Ethylenediamine + H+ = AgEthylenediamineH+2
- log_k 7.31
- delta_h 0 kcal
-2Ag+ + Ethylenediamine = Ag2Ethylenediamine+2
- log_k 1.43
- delta_h 0 kcal
-2Ag+ + 2Ethylenediamine = Ag2Ethylenediamine2+2
- log_k 12.73
- delta_h 0 kcal
-Ni+2 + Ethylenediamine = NiEthylenediamine+2
- log_k 7.24
- delta_h 0 kcal
-Ni+2 + 2Ethylenediamine = NiEthylenediamine2+2
- log_k 13.36
- delta_h 0 kcal
-Ni+2 + 3Ethylenediamine = NiEthylenediamine3+2
- log_k 17.54
- delta_h 0 kcal
-Pb+2 + Ethylenediamine = PbEthylenediamine+2
- log_k 7
- delta_h 0 kcal
-Pb+2 + 2Ethylenediamine = PbEthylenediamine2+2
- log_k 8.45
- delta_h 0 kcal
-Zn+2 + Ethylenediamine = ZnEthylenediamine+2
- log_k 5.65
- delta_h 0 kcal
-Zn+2 + 2Ethylenediamine = ZnEthylenediamine2+2
- log_k 10.62
- delta_h 0 kcal
-Zn+2 + 3Ethylenediamine = ZnEthylenediamine3+2
- log_k 13.83
- delta_h 0 kcal
-Mn+2 + Ethylenediamine = MnEthylenediamine+2
- log_k 2.67
- delta_h 0 kcal
-Mn+2 + 2Ethylenediamine = MnEthylenediamine2+2
- log_k 4.2
- delta_h 0 kcal
-Fe+2 + Ethylenediamine = FeEthylenediamine+2
- log_k 4.36
- delta_h 0 kcal
-Fe+2 + 2Ethylenediamine = FeEthylenediamine2+2
- log_k 7.65
- delta_h 0 kcal
-Fe+2 + 3Ethylenediamine = FeEthylenediamine3+2
- log_k 9.68
- delta_h 0 kcal
-H+ + Nta-3 = NtaH-2
- log_k 10.334
- delta_h 0 kcal
-2H+ + Nta-3 = NtaH2-
- log_k 13.27
- delta_h 0 kcal
-3H+ + Nta-3 = NtaH3
- log_k 14.12
- delta_h 0 kcal
-H+ + Edta-4 = EdtaH-3
- log_k 9.96
- delta_h 0 kcal
-2H+ + Edta-4 = EdtaH2-2
- log_k 16.21
- delta_h 0 kcal
-3H+ + Edta-4 = EdtaH3-
- log_k 18.86
- delta_h 0 kcal
-4H+ + Edta-4 = EdtaH4
- log_k 20.93
- delta_h 0 kcal
-H+ + Propanoate- = PropanoateH
- log_k 4.874
- delta_h 0 kcal
-H+ + Methylamine = MethylamineH+
- log_k 10.72
- delta_h 0 kcal
-H+ + Hexylamine = HexylamineH+
- log_k 10.63
- delta_h 0 kcal
-H+ + Butanoate- = ButanoateH
- log_k 4.73
- delta_h 0 kcal
-4H+ + Nta-3 = NtaH4+
- log_k 16.224
- delta_h 0 kcal
-5H+ + Edta-4 = EdtaH5+
- log_k 23.464
- delta_h 0 kcal
-H+ + Diethylamine = DiethylamineH+
- log_k 10.774
- delta_h 0 kcal
-H+ + Trimethylamine = TrimethylamineH+
- log_k 9.8
- delta_h 0 kcal
-H+ + Two_methylpyridine = Two_methylpyridineH+
- log_k 5.95
- delta_h 0 kcal
-H+ + Three_methylpyridine = Three_methylpyridineH+
- log_k 5.7
- delta_h 0 kcal
-H+ + Four_methylpyridine = Four_methylpyridineH+
- log_k 6
- delta_h 0 kcal
-H+ + Npropylamine = NpropylamineH+
- log_k 10.8
- delta_h 0 kcal
-3H+ + Glutamate-2 = GlutamateH3+
- log_k 16.6
- delta_h 0 kcal
-H+ + Formate- = FormateH
- log_k 3.745
- delta_h 0 kcal
-H+ + Isovalerate- = IsovalerateH
- log_k 4.781
- delta_h 0 kcal
-H+ + Isobutyrate- = IsobutyrateH
- log_k 4.849
- delta_h 0 kcal
-H+ + Valerate- = ValerateH
- log_k 4.843
- delta_h 0 kcal
-Cd+2 + Edta-4 = CdEdta-2
- log_k 16.275
- delta_h 0 kcal
-Cd+2 + Nta-3 = CdNta-
- log_k 9.4
- delta_h 0 kcal
-Cd+2 + 2Nta-3 = CdNta2-4
- log_k 14.3
- delta_h 0 kcal
-Mg+2 + Ethylenediamine = MgEthylenediamine+2
- log_k 0.37
- delta_h 0 kcal
-Ca+2 + Ethylenediamine = CaEthylenediamine+2
- log_k 0.1
- delta_h 0 kcal
-Mg+2 + Citrate-3 = MgCitrate-
- log_k 3.37
- delta_h 0 kcal
-Mg+2 + Citrate-3 + H+ = MgCitrateH
- log_k 8.17
- delta_h 0 kcal
-Mg+2 + Citrate-3 + 2H+ = MgCitrateH2+
- log_k 11.59
- delta_h 0 kcal
-Na+ + Acetate- = NaAcetate
- log_k -0.18
- delta_h 0 kcal
-Na+ + Phthalate-2 = NaPhthalate-
- log_k 0.7
- delta_h 0 kcal
-Mg+2 + Acetate- = MgAcetate+
- log_k 1.27
- delta_h 0 kcal
-Mg+2 + Propanoate- = MgPropanoate+
- log_k 0.54
- delta_h 0 kcal
-Mg+2 + Butanoate- = MgButanoate+
- log_k 0.53
- delta_h 0 kcal
-Ca+2 + Acetate- = CaAcetate+
- log_k 1.18
- delta_h 0 kcal
-Ca+2 + Isophthalate-2 = CaIsophthalate
- log_k 2
- delta_h 0 kcal
-Ca+2 + Propanoate- = CaPropanoate+
- log_k 0.5
- delta_h 0 kcal
-Ca+2 + Butanoate- = CaButanoate+
- log_k 0.51
- delta_h 0 kcal
-Ca+2 + Phthalate-2 = CaPhthalate
- log_k 2.42
- delta_h 0 kcal
-Mn+2 + Acetate- = MnAcetate+
- log_k 1.4
- delta_h 0 kcal
-Fe+2 + Acetate- = FeAcetate+
- log_k 1.4
- delta_h 0 kcal
-Hg(OH)2 + Acetate- + 2H+ = HgAcetate+ + 2H2O
- log_k 9.417
- delta_h 0 kcal
-Hg(OH)2 + 2Acetate- + 2H+ = HgAcetate2 + 2H2O
- log_k 13.11
- delta_h 0 kcal
-Hg(OH)2 + 3Acetate- + 2H+ = HgAcetate3- + 2H2O
- log_k 19.38
- delta_h 0 kcal
-Hg(OH)2 + 4Acetate- + 2H+ = HgAcetate4-2 + 2H2O
- log_k 23.16
- delta_h 0 kcal
-Fe+3 + Acetate- = FeAcetate+2
- log_k 3.21
- delta_h 0 kcal
-Fe+3 + 2Acetate- = FeAcetate2+
- log_k 6.5
- delta_h 0 kcal
-Fe+3 + 3Acetate- = FeAcetate3
- log_k 8.3
- delta_h 0 kcal
-Ca+2 + Edta-4 = CaEdta-2
- log_k 12.4
- delta_h 0 kcal
-Ca+2 + Edta-4 + H+ = CaHEdta-
- log_k 16
- delta_h 0 kcal
-Mg+2 + Edta-4 = MgEdta-2
- log_k 10.6
- delta_h 0 kcal
-Mg+2 + Edta-4 + H+ = MgHEdta-
- log_k 15.1
- delta_h 0 kcal
-Fe+3 + Edta-4 = FeEdta-
- log_k 27.7
- delta_h 0 kcal
-Fe+2 + Edta-4 = FeEdta-2
- log_k 16.1
- delta_h 0 kcal
-Fe+3 + Edta-4 + H+ = FeHEdta
- log_k 29.2
- delta_h 0 kcal
-Fe+2 + Edta-4 + H+ = FeHEdta-
- log_k 19.3
- delta_h 0 kcal
-Fe+3 + Edta-4 + H2O = FeOHEdta-2 + H+
- log_k 19.8
- delta_h 0 kcal
-Fe+3 + Edta-4 + 2H2O = Fe(OH)2Edta-3 + 2H+
- log_k 9.7
- delta_h 0 kcal
-Fe+2 + Edta-4 + H2O = FeOHEdta-3 + H+
- log_k 6.4
- delta_h 0 kcal
-Fe+2 + Edta-4 + 2H2O = Fe(OH)2Edta-4 + 2H+
- log_k -4.3
- delta_h 0 kcal
-Al+3 + Edta-4 = AlEdta-
- log_k 18.9
- delta_h 0 kcal
-Al+3 + Edta-4 + H+ = AlHEdta
- log_k 21.6
- delta_h 0 kcal
-K+ + Edta-4 = KEdta-3
- log_k 1.7
- delta_h 0 kcal
-Na+ + Edta-4 = NaEdta-3
- log_k 2.5
- delta_h 0 kcal
-PHASES
-Uraninite
- UO2 + 4H+ = U+4 + 2H2O
- log_k -4.7
- delta_h -18.63 kcal
-UO2(am)
- UO2 + 4H+ = U+4 + 2H2O
- log_k 0.934
- delta_h -26.23 kcal
-U4O9(C)
- U4O9 + 18H+ + 2e- = 4U+4 + 9H2O
- log_k -3.384
- delta_h -101.235 kcal
-U3O8(C)
- U3O8 + 16H+ + 4e- = 3U+4 + 8H2O
- log_k 21.107
- delta_h -116.02 kcal
-USiO4(C)
- USiO4 + 4H+ = U+4 + H4SiO4
- log_k -7.62
- delta_h -14.548 kcal
-UF4(C)
- UF4 = U+4 + 4F-
- log_k -18.606
- delta_h -18.9 kcal
-UF4:2.5H2O
- UF4:2.5H2O = U+4 + 4F- + 2.5H2O
- log_k -27.57
- delta_h -0.588 kcal
-U(HPO4)2
-# Minteq equation:
-# U(HPO4)2 = U+4 + 2PO4-3 + 2H+ + 4H2O
- U(HPO4)2 = U+4 + 2PO4-3 + 2H+
- log_k -51.584
- delta_h 3.84 kcal
-Ningyoite
- CaU(PO4)2:2H2O = U+4 + Ca+2 + 2PO4-3 + 2H2O
- log_k -53.906
- delta_h -2.27 kcal
-UO3(C)
- UO3 + 2H+ = UO2+2 + H2O
- log_k 7.719
- delta_h -19.315 kcal
-Gummite
- UO3 + 2H+ = UO2+2 + H2O
- log_k 10.403
- delta_h -23.015 kcal
-B_UO2(OH)2
- UO2(OH)2 + 2H+ = UO2+2 + 2H2O
- log_k 5.544
- delta_h -13.73 kcal
-Schoepite
- UO2(OH)2:H2O + 2H+ = UO2+2 + 3H2O
- log_k 5.404
- delta_h -12.045 kcal
-Rutherfordine
- UO2CO3 = UO2+2 + CO3-2
- log_k -14.439
- delta_h -1.44 kcal
- -analytical 4.54 -0.03318 -2716.0
-(UO2)3(PO4)2
- (UO2)3(PO4)2 = 3UO2+2 + 2PO4-3
- log_k -49.037
- delta_h 94.9 kcal
-H-Autunite
- H2(UO2)2(PO4)2 = 2H+ + 2UO2+2 + 2PO4-3
- log_k -47.931
- delta_h -3.6 kcal
-Na-Autunite
- Na2(UO2)2(PO4)2 = 2Na+ + 2UO2+2 + 2PO4-3
- log_k -47.409
- delta_h -0.46 kcal
-K-Autunite
- K2(UO2)2(PO4)2 = 2K+ + 2UO2+2 + 2PO4-3
- log_k -48.244
- delta_h 5.86 kcal
-Uramphite
- (NH4)2(UO2)2(PO4)2 = 2UO2+2 + 2NH4+ + 2PO4-3
- log_k -51.749
- delta_h 9.7 kcal
-Saleeite
- Mg(UO2)2(PO4)2 = 2UO2+2 + Mg+2 + 2PO4-3
- log_k -43.646
- delta_h -20.18 kcal
-Autunite
- Ca(UO2)2(PO4)2 = 2UO2+2 + Ca+2 + 2PO4-3
- log_k -43.927
- delta_h -14.34 kcal
-Sr-Autunite
- Sr(UO2)2(PO4)2 = 2UO2+2 + Sr+2 + 2PO4-3
- log_k -44.457
- delta_h -13.05 kcal
-Uranocircite
- Ba(UO2)2(PO4)2 = 2UO2+2 + Ba+2 + 2PO4-3
- log_k -44.631
- delta_h -10.1 kcal
-Bassetite
- Fe(UO2)2(PO4)2 = 2UO2+2 + Fe+2 + 2PO4-3
- log_k -44.485
- delta_h -19.9 kcal
-Torbernite
- Cu(UO2)2(PO4)2 = 2UO2+2 + Cu+2 + 2PO4-3
- log_k -45.279
- delta_h -15.9 kcal
-Przhevalskite
- Pb(UO2)2(PO4)2 = 2UO2+2 + Pb+2 + 2PO4-3
- log_k -44.365
- delta_h -11 kcal
-Uranophane
- Ca(UO2)2(SiO3OH)2 + 6H+ = 2UO2+2 + Ca+2 + 2H4SiO4
- log_k 17.49
- delta_h -0 kcal
-UO2(NO3)2
- UO2(NO3)2 = UO2+2 + 2NO3-
- log_k 12.369
- delta_h -20.14 kcal
-UO2(NO3)2:2H2O
- UO2(NO3)2:2H2O = UO2+2 + 2NO3- + 2H2O
- log_k 4.851
- delta_h -6.06 kcal
-UO2(NO3)2:3H2O
- UO2(NO3)2:3H2O = UO2+2 + 2NO3- + 3H2O
- log_k 3.642
- delta_h -2.405 kcal
-UO2(NO3)2:6H2O
- UO2(NO3)2:6H2O = UO2+2 + 2NO3- + 6H2O
- log_k 2.3
- delta_h 4.77 kcal
-Al(OH)3(a)
- Al(OH)3 + 3H+ = Al+3 + 3H2O
- log_k 10.38
- delta_h -27.045 kcal
-AlOHSO4
- AlOHSO4 + H+ = Al+3 + SO4-2 + H2O
- log_k -3.23
- delta_h -0 kcal
-Al4(OH)10SO4
- Al4(OH)10SO4 + 10H+ = 4Al+3 + SO4-2 + 10H2O
- log_k 22.7
- delta_h -0 kcal
-AlumK
- KAl(SO4)2:12H2O = K+ + Al+3 + 2SO4-2 + 12H2O
- log_k -5.17
- delta_h 7.22 kcal
-Alunite
- KAl3(SO4)2(OH)6 + 6H+ = K+ + 3Al+3 + 2SO4-2 + 6H2O
- log_k -1.346
- delta_h 3.918 kcal
-Anhydrite
- CaSO4 = Ca+2 + SO4-2
- log_k -4.637
- delta_h -3.769 kcal
-Aragonite
- CaCO3 = Ca+2 + CO3-2
- log_k -8.36
- delta_h -2.615 kcal
-# Minteq a_e has more constants than phreeqc, can not use
-# -analytical_expression 10.21 -0.0217 0.0 0.0 5.170E-005
-# This a_e is from wateq4f
- -analytical -171.9773 -0.077993 2903.293 71.595 0.0
-Artinite
- MgCO3:Mg(OH)2:3H2O + 2H+ = 2Mg+2 + CO3-2 + 5H2O
- log_k 9.6
- delta_h -28.742 kcal
-BaF2
- BaF2 = Ba+2 + 2F-
- log_k -5.76
- delta_h 1 kcal
-Barite
- BaSO4 = Ba+2 + SO4-2
- log_k -9.976
- delta_h 6.28 kcal
-Boehmite
- AlOOH + 3H+ = Al+3 + 2H2O
- log_k 8.578
- delta_h -28.13 kcal
-Brucite
- Mg(OH)2 + 2H+ = Mg+2 + 2H2O
- log_k 16.792
- delta_h -25.84 kcal
-Calcite
- CaCO3 = Ca+2 + CO3-2
- log_k -8.475
- delta_h -2.585 kcal
- -analytical_expression 13.543 -0.0401 -3000.0
-Celestite
- SrSO4 = Sr+2 + SO4-2
- log_k -6.465
- delta_h -0.47 kcal
-Chalcedony
- SiO2 + 2H2O = H4SiO4
- log_k -3.523
- delta_h 4.615 kcal
-Chrysotile
- Mg3Si2O5(OH)4 + 6H+ = 3Mg+2 + 2H4SiO4 + H2O
- log_k 32.188
- delta_h -52.485 kcal
-Clinoenstatite
- MgSiO3 + H2O + 2H+ = Mg+2 + H4SiO4
- log_k 11.338
- delta_h -20.015 kcal
-Cristobalite
- SiO2 + 2H2O = H4SiO4
- log_k -3.587
- delta_h 5.5 kcal
-Diaspore
- AlOOH + 3H+ = Al+3 + 2H2O
- log_k 6.873
- delta_h -24.63 kcal
-Diopside
- CaMgSi2O6 + 2H2O + 4H+ = Ca+2 + Mg+2 + 2H4SiO4
- log_k 19.886
- delta_h -32.28 kcal
-Dolomite
- CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2
- log_k -17
- delta_h -8.29 kcal
-Epsomite
- MgSO4:7H2O = Mg+2 + SO4-2 + 7H2O
- log_k -2.14
- delta_h 2.82 kcal
-Sepiolite(c)
- Mg2Si3O7.5OH:3H2O + 0.5H2O + 4H+ = 2Mg+2 + 3H4SiO4
- log_k 15.913
- delta_h -27.268 kcal
-Ferrihydrite
- Fe(OH)3 + 3H+ = Fe+3 + 3H2O
- log_k 4.891
- delta_h -0 kcal
-Fe3(OH)8
- Fe3(OH)8 + 8H+ = 2Fe+3 + Fe+2 + 8H2O
- log_k 20.222
- delta_h -0 kcal
-Fe(OH)2.7Cl0.3
- Fe(OH)2.7Cl0.3 + 2.7H+ = Fe+3 + 2.7H2O + 0.3Cl-
- log_k -3.04
- delta_h -0 kcal
-FeS(ppt)
- FeS + H+ = Fe+2 + HS-
- log_k -3.915
- delta_h -0 kcal
-Fe2(SO4)3
- Fe2(SO4)3 = 2Fe+3 + 3SO4-2
- log_k 3.58
- delta_h -59.12 kcal
-Hydroxyapatite
- Ca5(PO4)3OH + H+ = 5Ca+2 + 3PO4-3 + H2O
- log_k -44.199
- delta_h -0 kcal
-FCO3Apatite
-# FCO3APATITE = 9.496Ca+2 + 0.36Na+ + 0.144Mg+2 + 4.8PO4-3 + 1.2CO3-2 + 2.48F-
- Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316Ca+2 + 0.36Na+ + 0.144Mg+2 + 4.8PO4-3 + 1.2CO3-2 + 2.48F-
- log_k -114.4
- delta_h 39.39 kcal
-Fluorite
- CaF2 = Ca+2 + 2F-
- log_k -10.96
- delta_h 4.71 kcal
-# Minteq a_e has more constants than phreeqc, can not use
-# -analytical_expression -109.25 -0.0024 3120.98 37.624 4.900E-007 2088.47 298.4
-# This a_e is from wateq4f
- -analytical 66.348 0.0 -4298.2 -25.271 0.0
-
-Forsterite
- Mg2SiO4 + 4H+ = 2Mg+2 + H4SiO4
- log_k 28.298
- delta_h -48.51 kcal
-Gibbsite(C)
- Al(OH)3 + 3H+ = Al+3 + 3H2O
- log_k 8.77
- delta_h -22.8 kcal
-Al2O3
- Al2O3 + 6H+ = 2Al+3 + 3H2O
- log_k 22.98
- delta_h -0 kcal
-Goethite
- FeOOH + 3H+ = Fe+3 + 2H2O
- log_k 0.5
- delta_h -14.48 kcal
-Greenalite
- Fe3Si2O5(OH)4 + 6H+ = 3Fe+2 + 2H4SiO4 + H2O
- log_k 20.81
- delta_h -0 kcal
-Greigite
- Fe3S4 + 4H+ = 2Fe+3 + Fe+2 + 4HS-
- log_k -45.035
- delta_h -0 kcal
-Gypsum
- CaSO4:2H2O = Ca+2 + SO4-2 + 2H2O
-# # Log K gives too small a solubility < 10 mmol/L
-# # D. Parkhurst 7/13/09, Replacing log K with minteq version 4 log K
-# log_k -4.848
-# delta_h 0.261 kcal
- log_k -4.61
- delta_h 1 kJ
-
-Halite
- NaCl = Na+ + Cl-
- log_k 1.582
- delta_h 0.918 kcal
-Hematite
- Fe2O3 + 6H+ = 2Fe+3 + 3H2O
- log_k -4.008
- delta_h -30.845 kcal
-Huntite
- CaMg3(CO3)4 = 3Mg+2 + Ca+2 + 4CO3-2
- log_k -29.968
- delta_h -25.76 kcal
-Hydromagnesite
- Mg5(CO3)4(OH)2:4H2O + 2H+ = 5Mg+2 + 4CO3-2 + 6H2O
- log_k -8.766
- delta_h -52.21 kcal
-Jarosite-Na
- NaFe3(SO4)2(OH)6 + 6H+ = Na+ + 3Fe+3 + 2SO4-2 + 6H2O
- log_k -11.2
- delta_h -36.18 kcal
-Jarosite-K
- KFe3(SO4)2(OH)6 + 6H+ = K+ + 3Fe+3 + 2SO4-2 + 6H2O
- log_k -14.8
- delta_h -31.28 kcal
-Jarosite-H
- (H3O)Fe3(SO4)2(OH)6 + 5H+ = 3Fe+3 + 2SO4-2 + 7H2O
- log_k -12.1
- delta_h -55.15 kcal
-Mackinawite
- FeS + H+ = Fe+2 + HS-
- log_k -4.648
- delta_h -0 kcal
-Magadiite
- NaSi7O13(OH)3:3H2O + H+ + 9H2O = Na+ + 7H4SiO4
- log_k -14.3
- delta_h -0 kcal
-Maghemite
- Fe2O3 + 6H+ = 2Fe+3 + 3H2O
- log_k 6.386
- delta_h -0 kcal
-Magnesite
- MgCO3 = Mg+2 + CO3-2
- log_k -8.029
- delta_h -6.169 kcal
-Magnetite
- Fe3O4 + 8H+ = 2Fe+3 + Fe+2 + 4H2O
- log_k 3.737
- delta_h -50.46 kcal
-Melanterite
- FeSO4:7H2O = Fe+2 + SO4-2 + 7H2O
- log_k -2.47
- delta_h 2.86 kcal
-Mirabilite
- Na2SO4:10H2O = 2Na+ + SO4-2 + 10H2O
- log_k -1.114
- delta_h 18.987 kcal
-Natron
- Na2CO3:10H2O = 2Na+ + CO3-2 + 10H2O
- log_k -1.311
- delta_h 15.745 kcal
-Nesquehonite
- MgCO3:3H2O = Mg+2 + CO3-2 + 3H2O
- log_k -5.621
- delta_h -5.789 kcal
-Phlogopite
- KMg3AlSi3O10(OH)2 + 10H+ = K+ + 3Mg+2 + Al+3 + 3H4SiO4
- log_k 66.3
- delta_h -86.36 kcal
-Pyrite
- FeS2 + 2H+ + 2e- = Fe+2 + 2HS-
- log_k -18.479
- delta_h 11.3 kcal
-Quartz
- SiO2 + 2H2O = H4SiO4
- log_k -4.006
- delta_h 6.22 kcal
-Sepiolite(a)
- Mg2Si3O7.5OH:3H2O + 0.5H2O + 4H+ = 2Mg+2 + 3H4SiO4
- log_k 18.78
- delta_h -0 kcal
-Siderite
- FeCO3 = Fe+2 + CO3-2
- log_k -10.55
- delta_h -5.328 kcal
-SiO2(a)
- SiO2 + 2H2O = H4SiO4
- log_k -3.018
- delta_h 4.44 kcal
-SiO2(am)
- SiO2 + 2H2O = H4SiO4
- log_k -2.71
- delta_h 3.91 kcal
-SrF2
- SrF2 = Sr+2 + 2F-
- log_k -8.54
- delta_h 1.25 kcal
-Strengite
- FePO4:2H2O = Fe+3 + PO4-3 + 2H2O
- log_k -26.4
- delta_h -2.03 kcal
-
-Strontianite
- SrCO3 = Sr+2 + CO3-2
- log_k -9.25
- delta_h -0.69 kcal
-Talc
- Mg3Si4O10(OH)2 + 4H2O + 6H+ = 3Mg+2 + 4H4SiO4
- log_k 23.055
- delta_h -35.005 kcal
-Thenardite
- Na2SO4 = 2Na+ + SO4-2
- log_k -0.179
- delta_h -0.572 kcal
-Thermonatrite
- Na2CO3:H2O = 2Na+ + CO3-2 + H2O
- log_k 0.125
- delta_h -2.802 kcal
-Tremolite
- Ca2Mg5Si8O22(OH)2 + 8H2O + 14H+ = 2Ca+2 + 5Mg+2 + 8H4SiO4
- log_k 56.546
- delta_h -96.615 kcal
-Vivianite
- Fe3(PO4)2:8H2O = 3Fe+2 + 2PO4-3 + 8H2O
- log_k -36
- delta_h -0 kcal
-Witherite
- BaCO3 = Ba+2 + CO3-2
- log_k -8.585
- delta_h 0.36 kcal
-Pyrolusite
- MnO2 + 4H+ + e- = Mn+3 + 2H2O
- log_k 15.861
- delta_h -29.18 kcal
-Birnessite
- MnO2 + 4H+ + e- = Mn+3 + 2H2O
- log_k 18.091
- delta_h -0 kcal
-Nsutite
- MnO2 + 4H+ + e- = Mn+3 + 2H2O
- log_k 17.504
- delta_h -0 kcal
-Bixbyite
- Mn2O3 + 6H+ = 2Mn+3 + 3H2O
- log_k -0.611
- delta_h -15.245 kcal
-Hausmannite
- Mn3O4 + 8H+ + 2e- = 3Mn+2 + 4H2O
- log_k 61.54
- delta_h -80.14 kcal
-Pyrocroite
- Mn(OH)2 + 2H+ = Mn+2 + 2H2O
- log_k 15.088
- delta_h -22.59 kcal
-Manganite
- MnOOH + 3H+ = Mn+3 + 2H2O
- log_k -0.238
- delta_h -0 kcal
-Rhodochrosite
- MnCO3 = Mn+2 + CO3-2
- log_k -10.41
- delta_h -2.079 kcal
-MnCl2:4H2O
- MnCl2:4H2O = Mn+2 + 2Cl- + 4H2O
- log_k 2.71
- delta_h 17.38 kcal
-MnS(Green)
- MnS + H+ = Mn+2 + HS-
- log_k 3.8
- delta_h -5.79 kcal
-MnSO4
- MnSO4 = Mn+2 + SO4-2
- log_k 2.669
- delta_h -15.48 kcal
-Mn2(SO4)3
- Mn2(SO4)3 = 2Mn+3 + 3SO4-2
- log_k -5.711
- delta_h -39.06 kcal
-Mn3(PO4)2
- Mn3(PO4)2 = 3Mn+2 + 2PO4-3
- log_k -23.827
- delta_h 2.12 kcal
-CuMetal
- Cu = Cu+ + e-
- log_k -8.76
- delta_h 17.13 kcal
-Nantokite
- CuCl = Cu+ + Cl-
- log_k -6.76
- delta_h 9.98 kcal
-CuF
- CuF = Cu+ + F-
- log_k 7.08
- delta_h -12.37 kcal
-Cuprite
- Cu2O + 2H+ = 2Cu+ + H2O
- log_k -1.55
- delta_h 6.245 kcal
-Chalcocite
- Cu2S + H+ = 2Cu+ + HS-
- log_k -34.619
- delta_h 49.35 kcal
-Djurleite
- Cu0.066Cu1.868S + H+ = 0.066Cu+2 + 1.868Cu+ + HS-
- log_k -33.92
- delta_h 47.881 kcal
-Anilite
- Cu0.25Cu1.5S + H+ = 0.25Cu+2 + 1.5Cu+ + HS-
- log_k -31.878
- delta_h 43.535 kcal
-BlaubleiII
- Cu0.6Cu0.8S + H+ = 0.6Cu+2 + 0.8Cu+ + HS-
- log_k -27.279
- delta_h -0 kcal
-BlaubleiI
- Cu0.9Cu0.2S + H+ = 0.9Cu+2 + 0.2Cu+ + HS-
- log_k -24.162
- delta_h -0 kcal
-Covellite
- CuS + H+ = Cu+2 + HS-
- log_k -23.038
- delta_h 24.01 kcal
-Cu2SO4
- Cu2SO4 = 2Cu+ + SO4-2
- log_k -1.95
- delta_h -4.56 kcal
-CuprousFerrite
- CuFeO2 + 4H+ = Cu+ + Fe+3 + 2H2O
- log_k -8.92
- delta_h -3.8 kcal
-Melanothallite
- CuCl2 = Cu+2 + 2Cl-
- log_k 3.73
- delta_h -12.32 kcal
-CuCO3
- CuCO3 = Cu+2 + CO3-2
- log_k -9.63
- delta_h -0 kcal
-CuF2
- CuF2 = Cu+2 + 2F-
- log_k -0.62
- delta_h -13.32 kcal
-CuF2:2H2O
- CuF2:2H2O = Cu+2 + 2F- + 2H2O
- log_k -4.55
- delta_h -3.65 kcal
-Cu(OH)2
- Cu(OH)2 + 2H+ = Cu+2 + 2H2O
- log_k 8.64
- delta_h -15.25 kcal
-Atacamite
- Cu2(OH)3Cl + 3H+ = 2Cu+2 + 3H2O + Cl-
- log_k 7.34
- delta_h -18.69 kcal
-Cu2(OH)3NO3
- Cu2(OH)3NO3 + 3H+ = 2Cu+2 + 3H2O + NO3-
- log_k 9.24
- delta_h -17.35 kcal
-Antlerite
- Cu3(OH)4SO4 + 4H+ = 3Cu+2 + 4H2O + SO4-2
- log_k 8.29
- delta_h -0 kcal
-Brochantite
- Cu4(OH)6SO4 + 6H+ = 4Cu+2 + 6H2O + SO4-2
- log_k 15.34
- delta_h -0 kcal
-Langite
- Cu4(OH)6SO4:H2O + 6H+ = 4Cu+2 + 7H2O + SO4-2
- log_k 16.79
- delta_h -39.61 kcal
-Tenorite
- CuO + 2H+ = Cu+2 + H2O
- log_k 7.62
- delta_h -15.24 kcal
-CuOCuSO4
- CuO:CuSO4 + 2H+ = 2Cu+2 + H2O + SO4-2
- log_k 11.53
- delta_h -35.575 kcal
-Cu3(PO4)2
- Cu3(PO4)2 = 3Cu+2 + 2PO4-3
- log_k -36.85
- delta_h -0 kcal
-Cu3(PO4)2:3H2O
- Cu3(PO4)2:3H2O = 3Cu+2 + 2PO4-3 + 3H2O
- log_k -35.12
- delta_h -0 kcal
-CuSO4
- CuSO4 = Cu+2 + SO4-2
- log_k 3.01
- delta_h -18.14 kcal
-Chalcanthite
- CuSO4:5H2O = Cu+2 + SO4-2 + 5H2O
- log_k -2.64
- delta_h 1.44 kcal
-Dioptase
- CuSiO3:H2O + 2H+ = Cu+2 + H4SiO4
- log_k 6.5
- delta_h -8.96 kcal
-CupricFerrite
- CuFe2O4 + 8H+ = Cu+2 + 2Fe+3 + 4H2O
- log_k 5.88
- delta_h -38.69 kcal
-Chalcopyrite
- CuFeS2 + 2H+ = Cu+2 + Fe+2 + 2HS-
- log_k -35.27
- delta_h 35.48 kcal
-CuBr
- CuBr = Cu+ + Br-
- log_k -8.21
- delta_h 13.08 kcal
-CuI
- CuI = Cu+ + I-
- log_k -11.89
- delta_h 20.14 kcal
-ZnMetal
- Zn = Zn+2 + 2e-
- log_k 25.757
- delta_h -36.78 kcal
-ZnCl2
- ZnCl2 = Zn+2 + 2Cl-
- log_k 7.03
- delta_h -17.48 kcal
-Smithsonite
- ZnCO3 = Zn+2 + CO3-2
- log_k -10
- delta_h -4.36 kcal
-ZnCO3:H2O
- ZnCO3:H2O = Zn+2 + CO3-2 + H2O
- log_k -10.26
- delta_h -0 kcal
-ZnF2
- ZnF2 = Zn+2 + 2F-
- log_k -1.52
- delta_h -13.08 kcal
-Zn(OH)2(A)
- Zn(OH)2 + 2H+ = Zn+2 + 2H2O
- log_k 12.45
- delta_h -0 kcal
-Zn(OH)2(C)
- Zn(OH)2 + 2H+ = Zn+2 + 2H2O
- log_k 12.2
- delta_h -0 kcal
-Zn(OH)2(B)
- Zn(OH)2 + 2H+ = Zn+2 + 2H2O
- log_k 11.75
- delta_h -0 kcal
-Zn(OH)2(G)
- Zn(OH)2 + 2H+ = Zn+2 + 2H2O
- log_k 11.71
- delta_h -0 kcal
-Zn(OH)2(E)
- Zn(OH)2 + 2H+ = Zn+2 + 2H2O
- log_k 11.5
- delta_h -0 kcal
-Zn2(OH)3Cl
- Zn2(OH)3Cl + 3H+ = 2Zn+2 + 3H2O + Cl-
- log_k 15.2
- delta_h -0 kcal
-Zn5(OH)8Cl2
- Zn5(OH)8Cl2 + 8H+ = 5Zn+2 + 8H2O + 2Cl-
- log_k 38.5
- delta_h -0 kcal
-Zn2(OH)2SO4
- Zn2(OH)2SO4 + 2H+ = 2Zn+2 + 2H2O + SO4-2
- log_k 7.5
- delta_h -0 kcal
-Zn4(OH)6SO4
- Zn4(OH)6SO4 + 6H+ = 4Zn+2 + 6H2O + SO4-2
- log_k 28.4
- delta_h -0 kcal
-Zn(NO3)2:6H2O
- Zn(NO3)2:6H2O = Zn+2 + 2NO3- + 6H2O
- log_k 3.44
- delta_h 5.51 kcal
-ZnO(Active)
- ZnO + 2H+ = Zn+2 + H2O
- log_k 11.31
- delta_h -0 kcal
-Zincite
- ZnO + 2H+ = Zn+2 + H2O
- log_k 11.14
- delta_h -21.86 kcal
-Zn3O(SO4)2
- Zn3O(SO4)2 + 2H+ = 3Zn+2 + 2SO4-2 + H2O
- log_k 19.02
- delta_h -62 kcal
-Zn3(PO4)2:4H2O
- Zn3(PO4)2:4H2O = 3Zn+2 + 2PO4-3 + 4H2O
- log_k -32.04
- delta_h -0 kcal
-ZnS(A)
- ZnS + H+ = Zn+2 + HS-
- log_k -9.052
- delta_h 3.67 kcal
-Sphalerite
- ZnS + H+ = Zn+2 + HS-
- log_k -11.618
- delta_h 8.25 kcal
-Wurtzite
- ZnS + H+ = Zn+2 + HS-
- log_k -9.682
- delta_h 5.06 kcal
-ZnSiO3
- ZnSiO3 + 2H+ + H2O = Zn+2 + H4SiO4
- log_k 2.93
- delta_h -18.27 kcal
-Willemite
- Zn2SiO4 + 4H+ = 2Zn+2 + H4SiO4
- log_k 15.33
- delta_h -33.37 kcal
-Zincosite
- ZnSO4 = Zn+2 + SO4-2
- log_k 3.01
- delta_h -19.2 kcal
-ZnSO4:H2O
- ZnSO4:H2O = Zn+2 + SO4-2 + H2O
- log_k -0.57
- delta_h -10.64 kcal
-Bianchite
- ZnSO4:6H2O = Zn+2 + SO4-2 + 6H2O
- log_k -1.765
- delta_h -0.16 kcal
-Goslarite
- ZnSO4:7H2O = Zn+2 + SO4-2 + 7H2O
- log_k -1.96
- delta_h 3.3 kcal
-ZnBr2:2H2O
- ZnBr2:2H2O = Zn+2 + 2Br- + 2H2O
- log_k 5.21
- delta_h -7.51 kcal
-ZnI2
- ZnI2 = Zn+2 + 2I-
- log_k 7.23
- delta_h -13.44 kcal
-CdMetal
- Cd = Cd+2 + 2e-
- log_k 13.49
- delta_h -18 kcal
-Cd(Gamma)
- Cd = Cd+2 + 2e-
- log_k 13.59
- delta_h -18.14 kcal
-Otavite
- CdCO3 = Cd+2 + CO3-2
- log_k -13.74
- delta_h -0.58 kcal
-CdCl2
- CdCl2 = Cd+2 + 2Cl-
- log_k -0.68
- delta_h -4.47 kcal
-CdCl2:H2O
- CdCl2:H2O = Cd+2 + 2Cl- + H2O
- log_k -1.71
- delta_h -1.82 kcal
-CdCl2:2.5H2O
- CdCl2:2.5H2O = Cd+2 + 2Cl- + 2.5H2O
- log_k -1.94
- delta_h 1.71 kcal
-CdF2
- CdF2 = Cd+2 + 2F-
- log_k -2.98
- delta_h -9.72 kcal
-Cd(OH)2(A)
- Cd(OH)2 + 2H+ = Cd+2 + 2H2O
- log_k 13.73
- delta_h -20.77 kcal
-Cd(OH)2(C)
- Cd(OH)2 + 2H+ = Cd+2 + 2H2O
- log_k 13.65
- delta_h -0 kcal
-CdOHCl
- CdOHCl + H+ = Cd+2 + H2O + Cl-
- log_k 3.52
- delta_h -7.407 kcal
-Cd3(OH)4SO4
- Cd3(OH)4SO4 + 4H+ = 3Cd+2 + 4H2O + SO4-2
- log_k 22.56
- delta_h -0 kcal
-Cd3(OH)2(SO4)2
- Cd3(OH)2(SO4)2 + 2H+ = 3Cd+2 + 2H2O + 2SO4-2
- log_k 6.71
- delta_h -0 kcal
-Cd4(OH)6SO4
- Cd4(OH)6SO4 + 6H+ = 4Cd+2 + 6H2O + SO4-2
- log_k 28.4
- delta_h -0 kcal
-Monteponite
- CdO + 2H+ = Cd+2 + H2O
- log_k 15.12
- delta_h -24.76 kcal
-Cd3(PO4)2
- Cd3(PO4)2 = 3Cd+2 + 2PO4-3
- log_k -32.6
- delta_h -0 kcal
-CdSiO3
- CdSiO3 + H2O + 2H+ = Cd+2 + H4SiO4
- log_k 9.06
- delta_h -16.63 kcal
-CdSO4
- CdSO4 = Cd+2 + SO4-2
- log_k -0.1
- delta_h -14.74 kcal
-CdSO4:H2O
- CdSO4:H2O = Cd+2 + SO4-2 + H2O
- log_k -1.657
- delta_h -7.52 kcal
-CdSO4:2.67H2O
- CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67H2O
- log_k -1.873
- delta_h -4.3 kcal
-Greenockite
- CdS + H+ = Cd+2 + HS-
- log_k -15.93
- delta_h 16.36 kcal
-CdBr2:4H2O
- CdBr2:4H2O = Cd+2 + 2Br- + 4H2O
- log_k -2.42
- delta_h 7.23 kcal
-CdI2
- CdI2 = Cd+2 + 2I-
- log_k -3.61
- delta_h 4.08 kcal
-PbMetal
- Pb = Pb+2 + 2e-
- log_k 4.27
- delta_h 0.4 kcal
-Cotunnite
- PbCl2 = Pb+2 + 2Cl-
- log_k -4.77
- delta_h 5.6 kcal
-Matlockite
- PbClF = Pb+2 + Cl- + F-
- log_k -9.43
- delta_h 7.95 kcal
-Phosgenite
- PbCl2:PbCO3 = 2Pb+2 + 2Cl- + CO3-2
- log_k -19.81
- delta_h -0 kcal
-Cerussite
- PbCO3 = Pb+2 + CO3-2
- log_k -13.13
- delta_h 4.86 kcal
-PbF2
- PbF2 = Pb+2 + 2F-
- log_k -7.44
- delta_h -0.7 kcal
-Massicot
- PbO + 2H+ = Pb+2 + H2O
- log_k 12.91
- delta_h -16.78 kcal
-Litharge
- PbO + 2H+ = Pb+2 + H2O
- log_k 12.72
- delta_h -16.38 kcal
-PbO:0.3H2O
- PbO:0.33H2O + 2H+ = Pb+2 + 1.33H2O
- log_k 12.98
- delta_h -0 kcal
-Pb2OCO3
- Pb2OCO3 + 2H+ = 2Pb+2 + H2O + CO3-2
- log_k -0.5
- delta_h -11.46 kcal
-Larnakite
- PbO:PbSO4 + 2H+ = 2Pb+2 + SO4-2 + H2O
- log_k -0.28
- delta_h -6.44 kcal
-Pb3O2SO4
- Pb3O2SO4 + 4H+ = 3Pb+2 + SO4-2 + 2H2O
- log_k 10.4
- delta_h -20.75 kcal
-Pb4O3SO4
- Pb4O3SO4 + 6H+ = 4Pb+2 + SO4-2 + 3H2O
- log_k 22.1
- delta_h -35.07 kcal
-ClPyromorphite
- Pb5(PO4)3Cl = 5Pb+2 + 3PO4-3 + Cl-
- log_k -84.43
- delta_h -0 kcal
-Hxypyromorphite
- Pb5(PO4)3OH + H+ = 5Pb+2 + 3PO4-3 + H2O
- log_k -62.79
- delta_h -0 kcal
-Pb3O2CO3
- Pb3O2CO3 + 4H+ = 3Pb+2 + CO3-2 + 2H2O
- log_k 11.02
- delta_h -26.43 kcal
-Plumbogummite
- PbAl3(PO4)2(OH)5:H2O + 5H+ = Pb+2 + 3Al+3 + 2PO4-3 + 6H2O
- log_k -32.79
- delta_h -0 kcal
-Hinsdalite
- PbAl3PO4SO4(OH)6 + 6H+ = Pb+2 + 3Al+3 + PO4-3 + SO4-2 + 6H2O
- log_k -2.5
- delta_h -0 kcal
-Tsumebite
- Pb2CuPO4(OH)3:3H2O + 3H+ = 2Pb+2 + Cu+2 + PO4-3 + 6H2O
- log_k -9.79
- delta_h -0 kcal
-PbSiO3
- PbSiO3 + H2O + 2H+ = Pb+2 + H4SiO4
- log_k 7.32
- delta_h -9.26 kcal
-Pb2SiO4
- Pb2SiO4 + 4H+ = 2Pb+2 + H4SiO4
- log_k 19.76
- delta_h -26 kcal
-Anglesite
- PbSO4 = Pb+2 + SO4-2
- log_k -7.79
- delta_h 2.15 kcal
-Galena
- PbS + H+ = Pb+2 + HS-
- log_k -15.132
- delta_h 19.4 kcal
-Plattnerite
- PbO2 + 4H+ + 2e- = Pb+2 + 2H2O
- log_k 49.3
- delta_h -70.73 kcal
-Pb2O3
- Pb2O3 + 6H+ + 2e- = 2Pb+2 + 3H2O
- log_k 61.04
- delta_h -0 kcal
-Minium
- Pb3O4 + 8H+ + 2e- = 3Pb+2 + 4H2O
- log_k 73.69
- delta_h -102.76 kcal
-Pb(OH)2(C)
- Pb(OH)2 + 2H+ = Pb+2 + 2H2O
- log_k 8.15
- delta_h -13.99 kcal
-Laurionite
- PbOHCl + H+ = Pb+2 + Cl- + H2O
- log_k 0.623
- delta_h -0 kcal
-Pb2(OH)3Cl
- Pb2(OH)3Cl + 3H+ = 2Pb+2 + 3H2O + Cl-
- log_k 8.793
- delta_h -0 kcal
-Hydcerussite
- Pb(OH)2:2PbCO3 + 2H+ = 3Pb+2 + 2CO3-2 + 2H2O
- log_k -17.46
- delta_h -0 kcal
-Pb2O(OH)2
- Pb2O(OH)2 + 4H+ = 2Pb+2 + 3H2O
- log_k 26.2
- delta_h -0 kcal
-PbBr2
- PbBr2 = Pb+2 + 2Br-
- log_k -5.18
- delta_h 8.1 kcal
-PbBrF
- PbBrF = Pb+2 + Br- + F-
- log_k -8.49
- delta_h -0 kcal
-PbI2
- PbI2 = Pb+2 + 2I-
- log_k -8.07
- delta_h 15.16 kcal
-Pb4(OH)6SO4
- Pb4(OH)6SO4 + 6H+ = 4Pb+2 + SO4-2 + 6H2O
- log_k 21.1
- delta_h -0 kcal
-NiCO3
- NiCO3 = Ni+2 + CO3-2
- log_k -6.84
- delta_h -9.94 kcal
-Ni(OH)2
- Ni(OH)2 + 2H+ = Ni+2 + 2H2O
- log_k 10.8
- delta_h 30.45 kcal
-Ni4(OH)6SO4
- Ni4(OH)6SO4 + 6H+ = 4Ni+2 + SO4-2 + 6H2O
- log_k 32
- delta_h -0 kcal
-Bunsenite
- NiO + 2H+ = Ni+2 + H2O
- log_k 12.45
- delta_h -23.92 kcal
-Ni3(PO4)2
- Ni3(PO4)2 = 3Ni+2 + 2PO4-3
- log_k -31.3
- delta_h -0 kcal
-Millerite
- NiS + H+ = Ni+2 + HS-
- log_k -8.042
- delta_h 2.5 kcal
-Retgersite
- NiSO4:6H2O = Ni+2 + SO4-2 + 6H2O
- log_k -2.04
- delta_h 1.1 kcal
-Morenosite
- NiSO4:7H2O = Ni+2 + SO4-2 + 7H2O
- log_k -2.36
- delta_h 2.94 kcal
-Ni2SiO4
- Ni2SiO4 + 4H+ = 2Ni+2 + H4SiO4
- log_k 14.54
- delta_h -33.36 kcal
-AgMetal
- Ag = Ag+ + e-
- log_k -13.51
- delta_h 25.234 kcal
-Bromyrite
- AgBr = Ag+ + Br-
- log_k -12.27
- delta_h 20.17 kcal
-Cerargyrite
- AgCl = Ag+ + Cl-
- log_k -9.75
- delta_h 15.652 kcal
-Ag2CO3
- Ag2CO3 = 2Ag+ + CO3-2
- log_k -11.07
- delta_h 9.53 kcal
-AgF:4H2O
- AgF:4H2O = Ag+ + F- + 4H2O
- log_k 0.55
- delta_h 4.27 kcal
-Iodyrite
- AgI = Ag+ + I-
- log_k -16.07
- delta_h 26.82 kcal
-Ag2O
- Ag2O + 2H+ = 2Ag+ + H2O
- log_k 12.58
- delta_h -10.43 kcal
-Ag3PO4
- Ag3PO4 = 3Ag+ + PO4-3
- log_k -17.55
- delta_h -0 kcal
-Acanthite
- Ag2S + H+ = 2Ag+ + HS-
- log_k -36.05
- delta_h 53.3 kcal
-Ag2SO4
- Ag2SO4 = 2Ag+ + SO4-2
- log_k -4.92
- delta_h 4.25 kcal
-Analcime
- NaAlSi2O6:H2O + H2O + 4H+ = Na+ + Al+3 + 2H4SiO4
- log_k 6.719
- delta_h -22.84 kcal
-Halloysite
- Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O
- log_k 8.994
- delta_h -39.73 kcal
-Kaolinite
- Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O
- log_k 5.726
- delta_h -35.28 kcal
-Leonhardite
- Ca2Al4Si8O24:7H2O + H2O + 16H+ = 2Ca+2 + 8H4SiO4 + 4Al+3
- log_k 16.49
- delta_h -85.36 kcal
-Albite(low)
- NaAlSi3O8 + 4H+ + 4H2O = Na+ + Al+3 + 3H4SiO4
- log_k 2.592
- delta_h -17.4 kcal
-Albite
- NaAlSi3O8 + 4H+ + 4H2O = Na+ + Al+3 + 3H4SiO4
- log_k 3.506
- delta_h -20 kcal
-Muscovite
- KAl3Si3O10(OH)2 + 10H+ = K+ + 3Al+3 + 3H4SiO4
- log_k 12.99
- delta_h -59.34 kcal
-Annite
- KFe3AlSi3O10(OH)2 + 10H+ = K+ + 3Fe+2 + Al+3 + 3H4SiO4
- log_k 23.29
- delta_h -65.72 kcal
-Anorthite
- CaAl2Si2O8 + 8H+ = Ca+2 + 2Al+3 + 2H4SiO4
- log_k 25.43
- delta_h -70.66 kcal
-Pyrophyllite
- Al2Si4O10(OH)2 + 4H2O + 6H+ = 2Al+3 + 4H4SiO4
- log_k -1.598
- delta_h -0 kcal
-Laumontite
- CaAl2Si4O12:4H2O + 8H+ = Ca+2 + 2Al+3 + 4H4SiO4
- log_k 14.46
- delta_h -50.45 kcal
-Wairakite
- CaAl2Si4O12:2H2O + 8H+ + 2H2O = Ca+2 + 2Al+3 + 4H4SiO4
- log_k 18.87
- delta_h -63.15 kcal
-Malachite
- Cu2(OH)2CO3 + 2H+ = 2Cu+2 + 2H2O + CO3-2
- log_k -5.18
- delta_h -15.61 kcal
-Azurite
- Cu3(OH)2(CO3)2 + 2H+ = 3Cu+2 + 2H2O + 2CO3-2
- log_k -16.92
- delta_h -23.77 kcal
-Arsenolite
- As4O6 + 6H2O = 4H3AsO3
- log_k -2.801
- delta_h 14.33 kcal
-Claudetite
- As4O6 + 6H2O = 4H3AsO3
- log_k -3.065
- delta_h 13.29 kcal
-AsI3
- AsI3 + 3H2O = H3AsO3 + 3I- + 3H+
- log_k 4.155
- delta_h 1.875 kcal
-Oripment
- As2S3 + 6H2O = 2H3AsO3 + 3HS- + 3H+
- log_k -60.971
- delta_h 82.89 kcal
-Realgar
- AsS + 3H2O = H3AsO3 + HS- + 2H+ + e-
- log_k -19.747
- delta_h 30.545 kcal
-As2O5
- As2O5 + 3H2O = 2H3AsO4
- log_k 6.699
- delta_h -5.405 kcal
-Sb
- Sb + 3H2O = Sb(OH)3 + 3H+ + 3e-
- log_k -11.7058
- delta_h 20.045 kcal
-Stibnite
- Sb2S3 + 6H2O = 2Sb(OH)3 + 3HS- + 3H+
- log_k -60.156
- delta_h 69.29 kcal
-Sb2Se3
- Sb2Se3 + 6H2O = 2Sb(OH)3 + 3HSe- + 3H+
- log_k -67.7571
- delta_h 81.99 kcal
-NiSb
- NiSb + 3H2O = Sb(OH)3 + 5e- + 3H+ + Ni+2
- log_k -18.5225
- delta_h 22.945 kcal
-ZnSb
- ZnSb + 3H2O = Sb(OH)3 + 5e- + Zn+2 + 3H+
- log_k 11.0138
- delta_h -13.116 kcal
-AlSb
- AlSb + 3H2O = Sb(OH)3 + 6e- + Al+3 + 3H+
- log_k 65.6241
- delta_h -0 kcal
-CdSb
- CdSb + 3H2O = Sb(OH)3 + 5e- + 3H+ + Cd+2
- log_k -0.3943
- delta_h 5.345 kcal
-Mg2Sb3
- Mg2Sb3 + 9H2O = 2Mg+2 + 3Sb(OH)3 + 9H+ + 13e-
- log_k 74.6838
- delta_h -0 kcal
-Ag3Sb
- Ag3Sb + 3H2O = Sb(OH)3 + 6e- + 3Ag+ + 3H+
- log_k -56.1818
- delta_h -0 kcal
-Na3Sb
- Na3Sb + 3H2O = 3Na+ + Sb(OH)3 + 3H+ + 6e-
- log_k 94.4084
- delta_h -103.245 kcal
-NaSb
- NaSb + 3H2O = Na+ + Sb(OH)3 + 3H+ + 4e-
- log_k 23.177
- delta_h -22.385 kcal
-Mn2Sb
- Mn2Sb + 3H2O = 2Mn+2 + Sb(OH)3 + 7e- + 3H+
- log_k 61.0796
- delta_h -0 kcal
-Ca3Sb2
- Ca3Sb2 + 6H2O = 3Ca+2 + 2Sb(OH)3 + 6H+ + 12e-
- log_k 142.974
- delta_h -175.13 kcal
-USb2
- USb2 + 8H2O = UO2+2 + 2Sb(OH)3 + 12e- + 10H+
- log_k 29.5246
- delta_h -24.68 kcal
-Cu2Sb
- Cu2Sb + 3H2O = Sb(OH)3 + 6e- + 3H+ + Cu+ + Cu+2
- log_k -34.8827
- delta_h 55.745 kcal
-MnSb
- MnSb + 3H2O = Mn+3 + Sb(OH)3 + 6e- + 3H+
- log_k -2.9099
- delta_h 5.045 kcal
-Cu3Sb
- Cu3Sb + 3H2O = Sb(OH)3 + 6e- + 3H+ + 3Cu+
- log_k -42.5937
- delta_h 73.645 kcal
-U3Sb4
- U3Sb4 + 12H2O = 3U+4 + 4Sb(OH)3 + 24e- + 12H+
- log_k 152.329
- delta_h -235.72 kcal
-Sb2O4
- Sb2O4 + 2H2O + 2H+ + 2e- = 2Sb(OH)3
- log_k 3.4597
- delta_h -16.27 kcal
-Sb4O6II
- Sb4O6 + 6H2O = 4Sb(OH)3
- log_k -19.6586
- delta_h 14.6 kcal
-Sb4O6I
- Sb4O6 + 6H2O = 4Sb(OH)3
- log_k -17.0346
- delta_h 8.99 kcal
-Sb(OH)3(s)
- Sb(OH)3 = Sb(OH)3
- log_k -7.1099
- delta_h 7.2 kcal
-Cu(SbO3)2
- Cu(SbO3)2 + 6H+ + 4e- = 2Sb(OH)3 + Cu+2
- log_k 45.2105
- delta_h -0 kcal
-Sb2O3
- Sb2O3 + 3H2O = 2Sb(OH)3
- log_k -12.3654
- delta_h 7.325 kcal
-Sb2O3
- Sb2O3 + 3H2O = 2Sb(OH)3
- log_k -8.4806
- delta_h 4.545 kcal
-Sb2O5
- Sb2O5 + 7H2O = 2Sb(OH)6- + 2H+
- log_k -12.4827
- delta_h -0 kcal
-SbO2
- SbO2 + 4H2O = Sb(OH)6- + e- + 2H+
- log_k -27.8241
- delta_h -0 kcal
-SbBr3
- SbBr3 + 3H2O = Sb(OH)3 + 3Br- + 3H+
- log_k 1.0562
- delta_h -5.072 kcal
-SbCl3
- SbCl3 + 3H2O = Sb(OH)3 + 3Cl- + 3H+
- log_k 0.5915
- delta_h -8.414 kcal
-SbF3
- SbF3 + 3H2O = Sb(OH)3 + 3H+ + 3F-
- log_k -10.2251
- delta_h -1.608 kcal
-SbI3
- SbI3 + 3H2O = Sb(OH)3 + 3H+ + 3I-
- log_k -0.538
- delta_h 3.248 kcal
-Zn(BO2)2
- Zn(BO2)2 + 2H2O + 2H+ = Zn+2 + 2H3BO3
- log_k 8.29
- delta_h -0 kcal
-Cd(BO2)2
- Cd(BO2)2 + 2H2O + 2H+ = Cd+2 + 2H3BO3
- log_k 9.84
- delta_h -0 kcal
-Pb(BO2)2
- Pb(BO2)2 + 2H2O + 2H+ = Pb+2 + 2H3BO3
- log_k 7.61
- delta_h -5.8 kcal
-MnHPO4(C)
- MnHPO4 = Mn+2 + PO4-3 + H+
- log_k -25.4
- delta_h -0 kcal
-PbHPO4
- PbHPO4 = Pb+2 + PO4-3 + H+
- log_k -23.9
- delta_h -0 kcal
-Pb3(PO4)2
- Pb3(PO4)2 = 3Pb+2 + 2PO4-3
- log_k -44.5
- delta_h -0 kcal
-Sulfur
- S + H+ + 2e- = HS-
- log_k -2.11
- delta_h -4.2 kcal
-AlAsO4:2H2O
- AlAsO4:2H2O + 3H+ = Al+3 + H3AsO4 + 2H2O
- log_k 4.8
- delta_h -0 kcal
-Ca3(AsO4)2:6H2O
- Ca3(AsO4)2:6H2O + 6H+ = 3Ca+2 + 2H3AsO4 + 6H2O
- log_k 22.3
- delta_h -0 kcal
-Cu3(AsO4)2:6H2O
- Cu3(AsO4)2:6H2O + 6H+ = 3Cu+2 + 2H3AsO4 + 6H2O
- log_k 6.1
- delta_h -0 kcal
-FeAsO4:2H2O
- FeAsO4:2H2O + 3H+ = Fe+3 + H3AsO4 + 2H2O
- log_k 0.4
- delta_h -0 kcal
-Mn3(AsO4)2:8H2O
- Mn3(AsO4)2:8H2O + 6H+ = 3Mn+2 + 2H3AsO4 + 8H2O
- log_k 12.5
- delta_h -0 kcal
-Ni3(AsO4)2:8H2O
- Ni3(AsO4)2:8H2O + 6H+ = 3Ni+2 + 2H3AsO4 + 8H2O
- log_k 15.7
- delta_h -0 kcal
-Pb3(AsO4)2
- Pb3(AsO4)2 + 6H+ = 3Pb+2 + 2H3AsO4
- log_k 5.8
- delta_h -0 kcal
-Zn3(AsO4)2:2.5H2O
- Zn3(AsO4)2:2.5H2O + 6H+ = 3Zn+2 + 2H3AsO4 + 2.5H2O
- log_k 13.65
- delta_h -0 kcal
-Ba3(AsO4)2
- Ba3(AsO4)2 + 6H+ = 3Ba+2 + 2H3AsO4
- log_k -8.91
- delta_h 2.64 kcal
-VMetal
- V = V+3 + 3e-
- log_k 42.35
- delta_h -62.9 kcal
-VO
- VO + 2H+ = V+3 + H2O + e-
- log_k 13.08
- delta_h -28.02 kcal
-VCl2
- VCl2 = V+3 + 2Cl- + e-
- log_k 17.97
- delta_h -35.8 kcal
-V2O3
- VO1.5 + 3H+ = V+3 + 1.5H2O
- log_k 4.9
- delta_h -19.72 kcal
-V(OH)3
- V(OH)3 + 3H+ = V+3 + 3H2O
- log_k 7.65
- delta_h -0 kcal
-VCl3
- VCl3 = V+3 + 3Cl-
- log_k 21.73
- delta_h -43.96 kcal
-VOCl
- VOCl + 2H+ = V+3 + Cl- + H2O
- log_k 9.41
- delta_h -26.17 kcal
-V2O4
- VO2 + 2H+ = VO+2 + H2O
- log_k 4.27
- delta_h -14.07 kcal
-VO(OH)2
- VO(OH)2 + 2H+ = VO+2 + 2H2O
- log_k 5.85
- delta_h -0 kcal
-VF4
- VF4 + H2O = VO+2 + 4F- + 2H+
- log_k 14.93
- delta_h -47.59 kcal
-VOSO4(C)
- VOSO4 = VO+2 + SO4-2
- log_k 3.57
- delta_h -20.72 kcal
-# equation does not balance
-#(VO)3(PO4)2
-# (VO)3(PO4)2 = VO+2 + 0.667PO4-3
-# log_k -8.37
-# delta_h -0 kcal
-VOCl2
- VOCl2 = VO+2 + 2Cl-
- log_k 12.79
- delta_h -28.2 kcal
-V2O5
- VO2.5 + H+ = VO2+ + 0.5H2O
- log_k -0.72
- delta_h -4.16 kcal
-Tyuyamunite
- Ca0.5UO2VO4 + 4H+ = 0.5Ca+2 + UO2+2 + VO2+ + 2H2O
- log_k 2.04
- delta_h -18.3 kcal
-Ca_Vanadate
- Ca0.5VO3 + 2H+ = 0.5Ca+2 + VO2+ + H2O
- log_k 2.83
- delta_h -10.13 kcal
-Ca3(VO4)2
- Ca1.5VO4 + 4H+ = 1.5Ca+2 + VO2+ + 2H2O
- log_k 19.48
- delta_h -35.07 kcal
-Ca2V2O7
- CaVO3.5 + 3H+ = Ca+2 + VO2+ + 1.5H2O
- log_k 8.75
- delta_h -19.06 kcal
-Fe_Vanadate
- Fe0.5VO3 + 2H+ = 0.5Fe+2 + VO2+ + H2O
- log_k -1.86
- delta_h -7.37 kcal
-Mg_Vanadate
- Mg0.5VO3 + 2H+ = 0.5Mg+2 + VO2+ + H2O
- log_k 5.64
- delta_h -16.33 kcal
-Mg2V2O7
- MgVO3.5 + 3H+ = Mg+2 + VO2+ + 1.5H2O
- log_k 13.18
- delta_h -30.5 kcal
-Mn_Vanadate
- Mn0.5VO3 + 2H+ = 0.5Mn+2 + VO2+ + H2O
- log_k 2.45
- delta_h -11.05 kcal
-NH4VO3
- NH4VO3 + 2H+ = NH4+ + VO2+ + H2O
- log_k 2.69
- delta_h -3.77 kcal
-Na_Vanadate
- NaVO3 + 2H+ = Na+ + VO2+ + H2O
- log_k 3.71
- delta_h -7.01 kcal
-Na3VO4
- Na3VO4 + 4H+ = 3Na+ + VO2+ + 2H2O
- log_k 36.94
- delta_h -44.42 kcal
-Na4V2O7
- Na2VO3.5 + 3H+ = 2Na+ + VO2+ + 1.5H2O
- log_k 18.7
- delta_h -24.03 kcal
-Pb3(VO4)2
- Pb1.5VO4 + 4H+ = 1.5Pb+2 + VO2+ + 2H2O
- log_k 3.07
- delta_h -8.68 kcal
-Pb2V2O7
- PbVO3.5 + 3H+ = Pb+2 + VO2+ + 1.5H2O
- log_k -0.95
- delta_h -3.22 kcal
-Carnotite
- KUO2VO4 + 4H+ = K+ + UO2+2 + VO2+ + 2H2O
- log_k 0.23
- delta_h -8.7 kcal
-Ag_Vanadate
- AgVO3 + 2H+ = Ag+ + VO2+ + H2O
- log_k 0.77
- delta_h -0 kcal
-Ag2HVO4
- Ag2HVO4 + 3H+ = 2Ag+ + VO2+ + 2H2O
- log_k 1.48
- delta_h -0 kcal
-Ag3H2VO5
- Ag3H2VO5 + 4H+ = 3Ag+ + VO2+ + 3H2O
- log_k 5.18
- delta_h -0 kcal
-VO2Cl
- VO2Cl = VO2+ + Cl-
- log_k 2.81
- delta_h -9.65 kcal
-V3O5
- V3O5 + 4H+ = 3VO+2 + 2H2O + 2e-
- log_k 1.87
- delta_h -23.53 kcal
-V4O7
- V4O7 + 6H+ = 4VO+2 + 3H2O + 2e-
- log_k 7.14
- delta_h -39.15 kcal
-V6O13
- V6O13 + 2H+ = 6VO2+ + H2O + 4e-
- log_k -60.86
- delta_h 64.89 kcal
-Lime
- CaO + 2H+ = Ca+2 + H2O
- log_k 32.797
- delta_h -46.265 kcal
-Portlandite
- Ca(OH)2 + 2H+ = Ca+2 + 2H2O
- log_k 22.675
- delta_h -30.69 kcal
-
-# not balanced
-#Wustite
-# WUSTITE + 2H+ = 0.947Fe+2 + H2O
-# log_k 11.687
-# delta_h -24.846 kcal
-Periclase
- MgO + 2H+ = Mg+2 + H2O
- log_k 21.51
- delta_h -36.135 kcal
-Hercynite
- FeAl2O4 + 8H+ = Fe+2 + 2Al+3 + 4H2O
- log_k 27.162
- delta_h -78.36 kcal
-Spinel
- MgAl2O4 + 8H+ = Mg+2 + 2Al+3 + 4H2O
- log_k 36.333
- delta_h -89.089 kcal
-Mg-Ferrite
- MgFe2O4 + 8H+ = Mg+2 + 2Fe+3 + 4H2O
- log_k 16.765
- delta_h -66.639 kcal
-Cryolite
- Na3AlF6 = Al+3 + 3Na+ + 6F-
- log_k -31.49
- delta_h 10.904 kcal
-Wollastonite
- CaSiO3 + H2O + 2H+ = H4SiO4 + Ca+2
- log_k 12.996
- delta_h -19.498 kcal
-P-Wollstanite
- CaSiO3 + H2O + 2H+ = H4SiO4 + Ca+2
- log_k 13.846
- delta_h -21.068 kcal
-Ca-Olivine
- Ca2SiO4 + 4H+ = H4SiO4 + 2Ca+2
- log_k 37.649
- delta_h -54.695 kcal
-Larnite
- Ca2SiO4 + 4H+ = H4SiO4 + 2Ca+2
- log_k 39.141
- delta_h -57.238 kcal
-Ca3SiO5
- Ca3SiO5 + 6H+ = H4SiO4 + 3Ca+2 + H2O
- log_k 73.867
- delta_h -106.335 kcal
-Monticellite
- CaMgSiO4 + 4H+ = H4SiO4 + Ca+2 + Mg+2
- log_k 30.272
- delta_h -49.421 kcal
-Akerminite
- Ca2MgSi2O7 + H2O + 6H+ = 2H4SiO4 + 2Ca+2 + Mg+2
- log_k 47.472
- delta_h -76.445 kcal
-Merwinite
- Ca3MgSi2O8 + 8H+ = 2H4SiO4 + Mg+2 + 3Ca+2
- log_k 68.543
- delta_h -107.111 kcal
-Kalsilite
- KAlSiO4 + 4H+ = H4SiO4 + Al+3 + K+
- log_k 12.838
- delta_h -28.919 kcal
-Leucite
- KAlSi2O6 + 2H2O + 4H+ = 2H4SiO4 + Al+3 + K+
- log_k 6.423
- delta_h -22.085 kcal
-Microcline
- KAlSi3O8 + 4H2O + 4H+ = 3H4SiO4 + Al+3 + K+
- log_k 0.616
- delta_h -12.309 kcal
-Sanidine(H)
- KAlSi3O8 + 4H2O + 4H+ = 3H4SiO4 + Al+3 + K+
- log_k 1.062
- delta_h -14.252 kcal
-Nepheline
- NaAlSiO4 + 4H+ = H4SiO4 + Al+3 + Na+
- log_k 14.218
- delta_h -33.204 kcal
-Gehlenite
- Ca2Al2SiO7 + 10H+ = 2Al+3 + H4SiO4 + 2Ca+2 + 3H2O
- log_k 56.822
- delta_h -116.125 kcal
-Lepidocrocite
- FeOOH + 3H+ = Fe+3 + 2H2O
- log_k 1.371
- delta_h -0 kcal
-Na-Nontronite
- Fe2Al.33Si3.67O10(OH)2Na0.33 + 7.32H+ + 2.68H2O = 0.33Al+3 + 2Fe+3 + 0.33Na+ + 3.67H4SiO4
- log_k -14.504
- delta_h -0 kcal
-K-Nontronite
- Fe2Al.33Si3.67O10(OH)2K0.33 + 7.32H+ + 2.68H2O = 0.33Al+3 + 2Fe+3 + 0.33K+ + 3.67H4SiO4
- log_k -15.549
- delta_h -0 kcal
-Ca-Nontronite
- Fe2Al.33Si3.67O10(OH)2Ca0.165 + 7.32H+ + 2.68H2O = 0.33Al+3 + 2Fe+3 + 0.165Ca+2 + 3.67H4SiO4
- log_k -20.889
- delta_h -0 kcal
-Mg-Nontronite
- Fe2Al.33Si3.67O10(OH)2Mg0.165 + 7.32H+ + 2.68H2O = 0.33Al+3 + 2Fe+3 + 0.165Mg+2 + 3.67H4SiO4
- log_k -20.589
- delta_h -0 kcal
-Montmorillonite
- Mg0.485Fe.22Al1.71Si3.81O10(OH)2 + 6.76H+ + 3.24H2O = 3.81H4SiO4 + 0.485Mg+2 + 0.22Fe+3 + 1.71Al+3
- log_k 2.67
- delta_h -0 kcal
-TlMetal
- Tl = Tl+ + e-
- log_k 5.6733
- delta_h 1.28 kcal
-Tl2O
- Tl2O + 2H+ = 2Tl+ + H2O
- log_k 27.0984
- delta_h -23.055 kcal
-TlOH
- TlOH + H+ = Tl+ + H2O
- log_k 12.9225
- delta_h -9.935 kcal
-TlCl
- TlCl = Tl+ + Cl-
- log_k -3.7243
- delta_h 10.137 kcal
-TlBr
- TlBr = Tl+ + Br-
- log_k -5.419
- delta_h 13.641 kcal
-TlI
- TlI = Tl+ + I-
- log_k -7.1964
- delta_h 17.281 kcal
-Tl2S
- Tl2S + H+ = 2Tl+ + HS-
- log_k -7.1832
- delta_h 21.56 kcal
-Tl2SO4
- Tl2SO4 = 2Tl+ + SO4-2
- log_k -3.6942
- delta_h 7.94 kcal
-Tl2Se
- Tl2Se + H+ = 2Tl+ + HSe-
- log_k -6.6848
- delta_h 20.36 kcal
-Tl2SeO4
- Tl2SeO4 = 2Tl+ + SeO4-2
- log_k -4.0168
- delta_h 9.76 kcal
-TlNO3
- TlNO3 = Tl+ + NO3-
- log_k -1.5319
- delta_h 10.02 kcal
-Tl2CO3
- Tl2CO3 = 2Tl+ + CO3-2
- log_k -3.8482
- delta_h 8.02 kcal
-Tl(OH)3
- Tl(OH)3 = Tl(OH)3
- log_k -6.4503
- delta_h -0 kcal
-Avicennite
- Tl2O3 + 3H2O = 2Tl(OH)3
- log_k -16.3236
- delta_h -0 kcal
-Se(hex)
- Se + H+ + 2e- = HSe-
- log_k -7.6963
- delta_h 3.8 kcal
-Se(A)
- Se + H+ + 2e- = HSe-
- log_k -7.1099
- delta_h 2.6 kcal
-Ferroselite
- FeSe2 + 2H+ + 2e- = 2HSe- + Fe+2
- log_k -18.5959
- delta_h 11.3 kcal
-Clausthalite
- PbSe + H+ = HSe- + Pb+2
- log_k -21.2162
- delta_h 28 kcal
-Ag2Se
- Ag2Se + H+ = HSe- + 2Ag+
- log_k -43.6448
- delta_h 64.95 kcal
-CdSe
- CdSe + H+ = HSe- + Cd+2
- log_k -18.0739
- delta_h 18.16 kcal
-CuSe
- CuSe + H+ = HSe- + Cu+2
- log_k -26.5121
- delta_h 28.95 kcal
-Cu2Se(alpha)
- Cu2Se + H+ = HSe- + 2Cu+
- log_k -36.0922
- delta_h 51.21 kcal
-CuSe2
- CuSe2 + 2H+ + 2e- = 2HSe- + Cu+2
- log_k -33.3655
- delta_h 33.6 kcal
-Cu3Se2
- Cu3Se2 + 2H+ = 2HSe- + 2Cu+ + Cu+2
- log_k -63.4911
- delta_h 81.34 kcal
-FeSe
- FeSe + H+ = HSe- + Fe+2
- log_k -7.1466
- delta_h 0.5 kcal
-MnSe
- MnSe + H+ = HSe- + Mn+2
- log_k 5.3508
- delta_h -13.46 kcal
-ZnSe
- ZnSe + H+ = HSe- + Zn+2
- log_k -11.3642
- delta_h 6.439 kcal
-
-# cobalt not defined
-#CoSe
-# CoSe + H+ = HSe- + Co+2
-# log_k -16.2723
-# delta_h -0 kcal
-
-NiSe
- NiSe + H+ = HSe- + Ni+2
- log_k -17.7382
- delta_h -0 kcal
-SeO2
- SeO2 + H2O = HSeO3- + H+
- log_k 0.1246
- delta_h 0.335 kcal
-BaSeO3
- BaSeO3 + H+ = HSeO3- + Ba+2
- log_k 4.1634
- delta_h -6.28 kcal
-CaSeO3:2H2O
- CaSeO3:2H2O + H+ = HSeO3- + Ca+2 + 2H2O
- log_k 2.8139
- delta_h -4.65 kcal
-CuSeO3:2H2O
- CuSeO3:2H2O + H+ = HSeO3- + Cu+2 + 2H2O
- log_k 0.4838
- delta_h -8.81 kcal
-Fe2(SeO3)3:2H2O
- Fe2(SeO3)3:2H2O + 3H+ = 3HSeO3- + 2Fe+3 + 2H2O
- log_k -20.6262
- delta_h -0 kcal
-Fe2(OH)4SeO3
- Fe2(OH)4SeO3 + 5H+ = HSeO3- + 2Fe+3 + 4H2O
- log_k 1.5539
- delta_h -0 kcal
-MgSeO3:6H2O
- MgSeO3:6H2O + H+ = HSeO3- + Mg+2 + 6H2O
- log_k 4.0314
- delta_h 1.25 kcal
-MnSeO3:2H2O
- MnSeO3:2H2O + H+ = HSeO3- + Mn+2 + 2H2O
- log_k 0.9822
- delta_h 2.03 kcal
-NiSeO3:2H2O
- NiSeO3:2H2O + H+ = HSeO3- + Ni+2 + 2H2O
- log_k 2.8147
- delta_h -7.41 kcal
-SrSeO3
- SrSeO3 + H+ = HSeO3- + Sr+2
- log_k 0.1034
- delta_h -0 kcal
-MnSeO3
- MnSeO3 + H+ = HSeO3- + Mn+2
- log_k 1.21
- delta_h -0 kcal
-
-# cobalt not defined
-#CoSeO3
-# CoSeO3 + H+ = HSeO3- + Co+2
-# log_k 0.1906
-# delta_h -0 kcal
-Ag2SeO3
- Ag2SeO3 + H+ = HSeO3- + 2Ag+
- log_k -7.07
- delta_h 9.47 kcal
-SeO3
- SeO3 + H2O = SeO4-2 + 2H+
- log_k 21.044
- delta_h -34.985 kcal
-Ag2SeO4
- Ag2SeO4 = SeO4-2 + 2Ag+
- log_k -8.9014
- delta_h 10.45 kcal
-BaSeO4
- BaSeO4 = SeO4-2 + Ba+2
- log_k -5.1895
- delta_h 2 kcal
-CaSeO4:2H2O
- CaSeO4:2H2O = SeO4-2 + Ca+2 + 2H2O
- log_k -2.9473
- delta_h 0.88 kcal
-PbSeO4
- PbSeO4 = SeO4-2 + Pb+2
- log_k -6.8387
- delta_h 3.8 kcal
-SrSeO4
- SrSeO4 = SeO4-2 + Sr+2
- log_k -6.8747
- delta_h 2.69 kcal
-HgMetal
- Hg = 0.5Hg2+2 + e-
- log_k -13.4552
- delta_h 19.935 kcal
-Hg2Br2
- Hg2Br2 = Hg2+2 + 2Br-
- log_k -22.2091
- delta_h 31.252 kcal
-Hg2CO3
- Hg2CO3 = Hg2+2 + CO3-2
- log_k -13.9586
- delta_h -0 kcal
-Calomel
- Hg2Cl2 = Hg2+2 + 2Cl-
- log_k -17.8427
- delta_h 23.444 kcal
-Hg2F2
- Hg2F2 = Hg2+2 + 2F-
- log_k -3.0811
- delta_h -4.432 kcal
-Hg2I2
- Hg2I2 = Hg2+2 + 2I-
- log_k -28.2782
- delta_h -0 kcal
-Hg2(OH)2
- Hg2(OH)2 + 2H+ = Hg2+2 + 2H2O
- log_k 5.2603
- delta_h -0 kcal
-Hg2HPO4
- Hg2HPO4 = Hg2+2 + H+ + PO4-3
- log_k -25.9795
- delta_h -0 kcal
-Hg2S
- Hg2S + H+ = Hg2+2 + HS-
- log_k -11.6765
- delta_h 16.67 kcal
-Hg2SO4
- Hg2SO4 = Hg2+2 + SO4-2
- log_k -6.1593
- delta_h 0.23 kcal
-Hg2SeO3
- Hg2SeO3 + H+ = Hg2+2 + HSeO3-
- log_k -4.657
- delta_h -0 kcal
-HgBr2
- HgBr2 + 2H2O = Hg(OH)2 + 2Br- + 2H+
- log_k -25.373
- delta_h 34.452 kcal
-HgCO3
- HgCO3 + 2H2O = Hg(OH)2 + CO3-2 + 2H+
- log_k -28.6817
- delta_h 22.13 kcal
-HgCl2
- HgCl2 + 2H2O = Hg(OH)2 + 2Cl- + 2H+
- log_k -21.7858
- delta_h 27.264 kcal
-Coccinite
- HgI2 + 2H2O = Hg(OH)2 + 2I- + 2H+
- log_k -34.6599
- delta_h 49.732 kcal
-Montroydite
- HgO + H2O = Hg(OH)2
- log_k -3.6503
- delta_h 5.115 kcal
-Hg(OH)2
- Hg(OH)2 = Hg(OH)2
- log_k -3.4963
- delta_h -0 kcal
-Cinnabar
- HgS + 2H2O = Hg(OH)2 + HS- + H+
- log_k -45.1885
- delta_h 60.43 kcal
-Metacinnabar
- HgS + 2H2O = Hg(OH)2 + HS- + H+
- log_k -44.822
- delta_h 59.53 kcal
-HgSO4
- HgSO4 + 2H2O = Hg(OH)2 + SO4-2 + 2H+
- log_k -9.4189
- delta_h 3.51 kcal
-HgSeO3
- HgSeO3 + 2H2O = Hg(OH)2 + HSeO3- + H+
- log_k -12.6953
- delta_h -0 kcal
-HgI2:2NH3
- HgI2:2NH3 + 2H2O = Hg(OH)2 + 2I- + 2NH4+
- log_k -16.1066
- delta_h 32.632 kcal
-HgI2:6NH3
- HgI2:6NH3 + 2H2O + 4H+ = Hg(OH)2 + 2I- + 6NH4+
- log_k 33.8566
- delta_h -20.568 kcal
-Cr(OH)2
- Cr(OH)2 + 2H+ = Cr+2 + 2H2O
- log_k 10.8189
- delta_h -8.51 kcal
-CrBr3
- CrBr3 + 2H2O = Cr(OH)2+ + 3Br- + 2H+
- log_k 19.9086
- delta_h -33.777 kcal
-CrCl3
- CrCl3 + 2H2O = Cr(OH)2+ + 3Cl- + 2H+
- log_k 13.5067
- delta_h -27.509 kcal
-CrF3
- CrF3 + 2H2O = Cr(OH)2+ + 3F- + 2H+
- log_k -13.2597
- delta_h -4.363 kcal
-CrI3
- CrI3 + 2H2O = Cr(OH)2+ + 3I- + 2H+
- log_k 20.4767
- delta_h -32.127 kcal
-FeCr2O4
- FeCr2O4 + 4H+ = 2Cr(OH)2+ + Fe+2
- log_k -0.9016
- delta_h -24.86 kcal
-MgCr2O4
- MgCr2O4 + 4H+ = 2Cr(OH)2+ + Mg+2
- log_k 12.0796
- delta_h -39.86 kcal
-CrMetal
- Cr = Cr+2 + 2e-
- log_k 32.244
- delta_h -34.3 kcal
-Cr2O3
- Cr2O3 + 2H+ + H2O = 2Cr(OH)2+
- log_k -3.3937
- delta_h -12.125 kcal
-Cr(OH)3(A)
- Cr(OH)3 + H+ = Cr(OH)2+ + H2O
- log_k -0.75
- delta_h -0 kcal
-Cr(OH)3(C)
- Cr(OH)3 + H+ = Cr(OH)2+ + H2O
- log_k 1.7005
- delta_h -7.115 kcal
-CrCl2
- CrCl2 = Cr+2 + 2Cl-
- log_k 15.8676
- delta_h -19.666 kcal
-Ag2CrO4
- Ag2CrO4 = CrO4-2 + 2Ag+
- log_k -11.5548
- delta_h 14.04 kcal
-BaCrO4
- BaCrO4 = CrO4-2 + Ba+2
- log_k -9.6681
- delta_h 6.39 kcal
-
-# Cesium not defined
-#Cs2CrO4
-# Cs2CrO4 = CrO4-2 + 2Cs+
-# log_k -0.5541
-# delta_h 7.504 kcal
-#Cs2Cr2O7
-# Cs2Cr2O7 + H2O = 2CrO4-2 + 2Cs+ + 2H+
-# log_k -17.7793
-# delta_h 22.899 kcal
-
-CuCrO4
- CuCrO4 = CrO4-2 + Cu+2
- log_k -5.4754
- delta_h -0 kcal
-K2CrO4
- K2CrO4 = CrO4-2 + 2K+
- log_k 0.0073
- delta_h 4.25 kcal
-K2Cr2O7
- K2Cr2O7 + H2O = 2CrO4-2 + 2K+ + 2H+
- log_k -15.6712
- delta_h 18.125 kcal
-Li2CrO4
- Li2CrO4 = CrO4-2 + 2Li+
- log_k 4.8568
- delta_h -10.822 kcal
-MgCrO4
- MgCrO4 = CrO4-2 + Mg+2
- log_k 5.3801
- delta_h -21.26 kcal
-(NH4)2CrO4
- (NH4)2CrO4 = CrO4-2 + 2NH4+
- log_k 0.4046
- delta_h 2.19 kcal
-Na2CrO4
- Na2CrO4 = CrO4-2 + 2Na+
- log_k 3.2618
- delta_h -4.61 kcal
-Na2Cr2O7
- Na2Cr2O7 + H2O = 2CrO4-2 + 2Na+ + 2H+
- log_k -9.8953
- delta_h 5.305 kcal
-PbCrO4
- PbCrO4 = CrO4-2 + Pb+2
- log_k -13.6848
- delta_h 10.23 kcal
-Rb2CrO4
- Rb2CrO4 = CrO4-2 + 2Rb+
- log_k -0.0968
- delta_h 5.892 kcal
-SrCrO4
- SrCrO4 = CrO4-2 + Sr+2
- log_k -4.8443
- delta_h -2.42 kcal
-CrO3
- CrO3 + H2O = CrO4-2 + 2H+
- log_k -3.2105
- delta_h -1.245 kcal
-CaCrO4
- CaCrO4 = Ca+2 + CrO4-2
- log_k -2.2657
- delta_h -6.44 kcal
-Hg2CrO4
- Hg2CrO4 = Hg2+2 + CrO4-2
- log_k -8.7031
- delta_h -0 kcal
-Tl2CrO4
- Tl2CrO4 = 2Tl+ + CrO4-2
- log_k -12.0136
- delta_h 25.31 kcal
-Ag4FeCyanide6:H2O
- Ag4FeCyanide6:H2O = 6Cyanide- + 4Ag+ + Fe+2 + H2O
- log_k -89.6909
- delta_h -0 kcal
-AgCyanide
- AgCyanide = Cyanide- + Ag+
- log_k -16.218
- delta_h 26.385 kcal
-Cd2FeCyanide6:7H2O
- Cd2FeCyanide6:7H2O = 6Cyanide- + 2Cd+2 + Fe+2 + 7H2O
- log_k -62.9824
- delta_h -0 kcal
-CrCyanide
- CrCyanide = Cyanide- + Cr+2 + e-
- log_k 23.888
- delta_h -0 kcal
-Cr2Cyanide
- Cr2Cyanide = Cyanide- + 2Cr+2 + 3e-
- log_k 56.645
- delta_h -0 kcal
-CuCyanide
- CuCyanide = Cyanide- + Cu+
- log_k -19.4974
- delta_h 30.2 kcal
-Cu2FeCyanide6
- Cu2FeCyanide6 = 6Cyanide- + 2Cu+2 + Fe+2
- log_k -61.4168
- delta_h -0 kcal
-CyanideI
- CyanideI + 2e- = Cyanide- + I-
- log_k 11.3114
- delta_h -17.309 kcal
-K12Ni8(FeCyanide6)7
- K12Ni8(FeCyanide6)7 = 42Cyanide- + 12K+ + 8Ni+2 + 7Fe+2
- log_k -431.09
- delta_h -0 kcal
-KCyanide(I)
- KCyanide = Cyanide- + K+
- log_k 1.4403
- delta_h 2.74 kcal
-K2CdFeCyanide6
- K2CdFeCyanide6 = 6Cyanide- + 2K+ + Cd+2 + Fe+2
- log_k -63.0279
- delta_h -0 kcal
-K4Ni4(FeCyanide6)3
- K4Ni4(FeCyanide6)3 = 18Cyanide- + 4K+ + 4Ni+2 + 3Fe+2
- log_k -183.547
- delta_h -0 kcal
-K4FeCyanide6
- K4FeCyanide6 = 6Cyanide- + 4K+ + Fe+2
- log_k -48.8241
- delta_h 95.62 kcal
-K2Mn3(FeCyanide6)2
- K2Mn3(FeCyanide6)2 = 12Cyanide- + 2K+ + 3Mn+2 + 2Fe+2
- log_k -121.001
- delta_h -0 kcal
-K2Ni3(FeCyanide6)2
- K2Ni3(FeCyanide6)2 = 12Cyanide- + 2K+ + 3Ni+2 + 2Fe+2
- log_k -123.127
- delta_h -0 kcal
-K4FeCyanide6:3H2O
- K4FeCyanide6:3H2O = 6Cyanide- + 4K+ + Fe+2 + 3H2O
- log_k -49.5424
- delta_h 99.175 kcal
-K12Cd8(FeCyanide6)7
- K12Cd8(FeCyanide6)7 = 42Cyanide- + 12K+ + 8Cd+2 + 7Fe+2
- log_k -441.985
- delta_h -0 kcal
-KZn1.5FeCyanide6
- KZn1.5FeCyanide6 = 6Cyanide- + K+ + 1.5Zn+2 + Fe+2
- log_k -66.8086
- delta_h -0 kcal
-K3FeCyanide6
- K3FeCyanide6 = 6Cyanide- + 3K+ + Fe+3
- log_k -54.644
- delta_h 83.29 kcal
-K8Mn6(FeCyanide6)5
- K8Mn6(FeCyanide6)5 = 30Cyanide- + 8K+ + 6Mn+2 + 5Fe+2
- log_k -293.685
- delta_h -0 kcal
-K2Cu2FeCyanide6
- K2Cu2FeCyanide6 = 6Cyanide- + 2K+ + 2Cu+ + Fe+2
- log_k -72.5142
- delta_h -0 kcal
-Mn2FeCyanide6
- Mn2FeCyanide6 = 6Cyanide- + 2Mn+2 + Fe+2
- log_k -59.0272
- delta_h -0 kcal
-NaCyanide
- NaCyanide = Cyanide- + Na+
- log_k 2.2869
- delta_h -0.52 kcal
-Pb2FeCyanide6:3H2O
- Pb2FeCyanide6:3H2O = 6Cyanide- + 2Pb+2 + Fe+2 + 3H2O
- log_k -63.6011
- delta_h -0 kcal
-Tl4FeCyanide6:2H2O
- Tl4FeCyanide6:2H2O = 6Cyanide- + 4Tl+ + Fe+2 + 2H2O
- log_k -56.9162
- delta_h -0 kcal
-Zn2FeCyanide6:2H2O
- Zn2FeCyanide6:2H2O = 6Cyanide- + 2Zn+2 + Fe+2 + 2H2O
- log_k -61.2321
- delta_h -0 kcal
-AgCyanate
- AgCyanate = Cyanate- + Ag+
- log_k -6.6159
- delta_h 13.175 kcal
-Ag4Fe(Cyanide)6
- Ag4Fe(Cyanide)6 = 6Cyanide- + 4Ag+ + Fe+2
- log_k -193.914
- delta_h 260.91 kcal
-Cd2Fe(Cyanide)6
- Cd2Fe(Cyanide)6 = 6Cyanide- + 2Cd+2 + Fe+2
- log_k -28.2243
- delta_h -0 kcal
-Hg(Cyanide)2
- Hg(Cyanide)2 + 2H2O = Hg(OH)2 + 2Cyanide- + 2H+
- log_k -45.3791
- delta_h 60.73 kcal
-Pb2Fe(Cyanide)6
- Pb2Fe(Cyanide)6 = 6Cyanide- + 2Pb+2 + Fe+2
- log_k -27.5895
- delta_h -0 kcal
-Zn2Fe(Cyanide)6
- Zn2Fe(Cyanide)6 = 6Cyanide- + 2Zn+2 + Fe+2
- log_k -29.9263
- delta_h -0 kcal
-CH4(g)
- CH4 + 3H2O = CO3-2 + 8e- + 10H+
- log_k -40.1
- delta_h 61 kcal
-CO2(g)
- CO2 + H2O = CO3-2 + 2H+
- log_k -18.16
- delta_h 0.53 kcal
-O2(g)
- O2 + 4H+ + 4e- = 2H2O
- log_k 83.12
- delta_h -133.83 kcal
-Hg(g)
- Hg = 0.5Hg2+2 + e-
- log_k -7.8708
- delta_h 5.265 kcal
-Hg2(g)
- Hg2 = Hg2+2 + 2e-
- log_k -14.963
- delta_h 13.87 kcal
-Hg(CH3)2(g)
- Hg(CH3)2 + 8H2O = Hg(OH)2 + 2CO3-2 + 16e- + 20H+
- log_k -73.724
- delta_h 115.4 kcal
-HgBr(g)
- HgBr = 0.5Hg2+2 + Br-
- log_k 16.79
- delta_h -34.004 kcal
-HgCl(g)
- HgCl = 0.5Hg2+2 + Cl-
- log_k 20.5
- delta_h -40.098 kcal
-HgF(g)
- HgF = 0.5Hg2+2 + F-
- log_k 32.72
- delta_h -60.916 kcal
-HgI(g)
- HgI = 0.5Hg2+2 + I-
- log_k 11.15
- delta_h -25.264 kcal
-HgBr2(g)
- HgBr2 + 2H2O = Hg(OH)2 + 2Br- + 2H+
- log_k -18.47
- delta_h 14.35 kcal
-HgF2(g)
- HgF2 + 2H2O = Hg(OH)2 + 2F- + 2H+
- log_k 0.38
- delta_h -0 kcal
-HgI2(g)
- HgI2 + 2H2O = Hg(OH)2 + 2I- + 2H+
- log_k -27.28
- delta_h 28.63 kcal
-SURFACE_MASTER_SPECIES
- Hfo_s Hfo_sOH
- Hfo_w Hfo_wOH
-SURFACE_SPECIES
-Hfo_wOH = Hfo_wOH
- log_k 0.0
-Hfo_sOH = Hfo_sOH
- log_k 0.0
-Hfo_wOH = Hfo_wO- + H+
- log_k -8.93
-Hfo_wOH + H+ = Hfo_wOH2+
- log_k 7.29
-Hfo_sOH = Hfo_sO- + H+
- log_k -8.93
-Hfo_sOH + H+ = Hfo_sOH2+
- log_k 7.29
-Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+
- log_k -1.99
-Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+
- log_k 0.97
-Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+
- log_k -2.9
-Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+
- log_k 0.43
-Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+
- log_k 2.85
-Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+
- log_k 0.6
-Hfo_sOH + Be+2 = Hfo_sOBe+ + H+
- log_k 1.898
-Hfo_wOH + Be+2 = Hfo_wOBe+ + H+
- log_k -0.8626
-Hfo_sOH + Ni+2 = Hfo_sONi+ + H+
- log_k 0.15
-Hfo_wOH + Ni+2 = Hfo_wONi+ + H+
- log_k -2.5
-Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+
- log_k 4.71
-Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+
- log_k 0.3
-Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+
- log_k -5.85
-Hfo_sOH + Ca+2 = Hfo_sOHCa+2
- log_k 4.97
-Hfo_sOH + Ba+2 = Hfo_sOHBa+2
- log_k 5.46
-Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+
- log_k -7.2
-Hfo_sOH + H+ + SO4-2 = Hfo_sSO4- + H2O
- log_k 7.78
-Hfo_wOH + H+ + SO4-2 = Hfo_wSO4- + H2O
- log_k 7.78
-Hfo_sOH + SO4-2 = Hfo_sOHSO4-2
- log_k 0.79
-Hfo_wOH + SO4-2 = Hfo_wOHSO4-2
- log_k 0.79
-Hfo_sOH + PO4-3 + 3H+ = Hfo_sH2PO4 + H2O
- log_k 31.29
-Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O
- log_k 31.29
-Hfo_sOH + PO4-3 + 2H+ = Hfo_sHPO4- + H2O
- log_k 25.39
-Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O
- log_k 25.39
-Hfo_sOH + PO4-3 + H+ = Hfo_sPO4-2 + H2O
- log_k 17.72
-Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O
- log_k 17.72
-Hfo_sOH + H3AsO3 = Hfo_sH2AsO3 + H2O
- log_k 5.41
-Hfo_wOH + H3AsO3 = Hfo_wH2AsO3 + H2O
- log_k 5.41
-Hfo_sOH + H3AsO4 = Hfo_sH2AsO4 + H2O
- log_k 8.67
-Hfo_wOH + H3AsO4 = Hfo_wH2AsO4 + H2O
- log_k 8.67
-Hfo_sOH + H3AsO4 = Hfo_sHAsO4- + H2O + H+
- log_k 2.99
-Hfo_wOH + H3AsO4 = Hfo_wHAsO4- + H2O + H+
- log_k 2.99
-Hfo_sOH + H3AsO4 = Hfo_sAsO4-2 + H2O + 2H+
- log_k -4.7
-Hfo_wOH + H3AsO4 = Hfo_wAsO4-2 + H2O + 2H+
- log_k -4.7
-Hfo_sOH + H3AsO4 = Hfo_sOHAsO4-3 + 3H+
- log_k -10.15
-Hfo_wOH + H3AsO4 = Hfo_wOHAsO4-3 + 3H+
- log_k -10.15
-Hfo_sOH + H3BO3 = Hfo_sH2BO3 + H2O
- log_k 0.62
-Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O
- log_k 0.62
-END
-
diff --git a/Tests/Data/PhreeqcDatabase/minteq.dat b/Tests/Data/PhreeqcDatabase/minteq.dat
new file mode 120000
index 00000000000..b8d007db222
--- /dev/null
+++ b/Tests/Data/PhreeqcDatabase/minteq.dat
@@ -0,0 +1 @@
+../../../ThirdParty/iphreeqc/src/database/minteq.dat
\ No newline at end of file
diff --git a/Tests/Data/PhreeqcDatabase/minteq.v4.dat b/Tests/Data/PhreeqcDatabase/minteq.v4.dat
deleted file mode 100644
index 48f51bca5bc..00000000000
--- a/Tests/Data/PhreeqcDatabase/minteq.v4.dat
+++ /dev/null
@@ -1,13208 +0,0 @@
-# $Id: minteq.v4.dat 11091 2016-04-21 15:20:05Z dlpark $
-SOLUTION_MASTER_SPECIES
-Alkalinity CO3-2 2.0 HCO3 61.0173
-E e- 0 0 0
-O H2O 0 O 16.00
-O(-2) H2O 0 O
-O(0) O2 0 O
-Ag Ag+ 0.0 Ag 107.868
-Al Al+3 0.0 Al 26.9815
-As H3AsO4 -1.0 As 74.9216
-As(3) H3AsO3 0.0 As
-As(5) H3AsO4 -1.0 As
-B H3BO3 0.0 B 10.81
-Ba Ba+2 0.0 Ba 137.33
-Be Be+2 0.0 Be 9.0122
-Br Br- 0.0 Br 79.904
-C CO3-2 2.0 CO3 12.0111
-C(4) CO3-2 2.0 CO3 12.0111
-Cyanide Cyanide- 1.0 Cyanide 26.0177
-Dom_a Dom_a 0.0 C 12.0111
-Dom_b Dom_b 0.0 C 12.0111
-Dom_c Dom_c 0.0 C 12.0111
-Ca Ca+2 0.0 Ca 40.078
-Cd Cd+2 0.0 Cd 112.41
-Cl Cl- 0.0 Cl 35.453
-Co Co+3 -1.0 Co 58.9332
-Co(2) Co+2 0.0 Co
-Co(3) Co+3 -1.0 Co
-Cr CrO4-2 1.0 Cr 51.996
-Cr(2) Cr+2 0.0 Cr
-Cr(3) Cr(OH)2+ 0.0 Cr
-Cr(6) CrO4-2 1.0 Cr
-Cu Cu+2 0.0 Cu 63.546
-Cu(1) Cu+ 0.0 Cu
-Cu(2) Cu+2 0.0 Cu
-F F- 0.0 F 18.9984
-Fe Fe+3 -2.0 Fe 55.847
-Fe(2) Fe+2 0.0 Fe
-Fe(3) Fe+3 -2.0 Fe
-H H+ -1.0 H 1.0079
-H(0) H2 0 H
-H(1) H+ -1.0 H
-Hg Hg(OH)2 0.0 Hg 200.59
-Hg(0) Hg 0.0 Hg
-Hg(1) Hg2+2 0.0 Hg
-Hg(2) Hg(OH)2 0.0 Hg
-I I- 0.0 I 126.904
-K K+ 0.0 K 39.0983
-Li Li+ 0.0 Li 6.941
-Mg Mg+2 0.0 Mg 24.305
-Mn Mn+3 0.0 Mn 54.938
-Mn(2) Mn+2 0.0 Mn
-Mn(3) Mn+3 0.0 Mn
-Mn(6) MnO4-2 0.0 Mn
-Mn(7) MnO4- 0.0 Mn
-Mo MoO4-2 0.0 Mo 95.94
-N NO3- 0.0 N 14.0067
-N(-3) NH4+ 0.0 N
-N(3) NO2- 0.0 N
-N(5) NO3- 0.0 N
-Na Na+ 0.0 Na 22.9898
-Ni Ni+2 0.0 Ni 58.69
-P PO4-3 2.0 P 30.9738
-Pb Pb+2 0.0 Pb 207.2
-S SO4-2 0.0 SO4 32.066
-S(-2) HS- 1.0 S
-#S(0) S 0.0 S
-S(6) SO4-2 0.0 SO4
-Sb Sb(OH)6- 0.0 Sb 121.75
-Sb(3) Sb(OH)3 0.0 Sb
-Sb(5) Sb(OH)6- 0.0 Sb
-Se SeO4-2 0.0 Se 78.96
-Se(-2) HSe- 0.0 Se
-Se(4) HSeO3- 0.0 Se
-Se(6) SeO4-2 0.0 Se
-Si H4SiO4 0.0 SiO2 28.0843
-Sn Sn(OH)6-2 0.0 Sn 118.71
-Sn(2) Sn(OH)2 0.0 Sn
-Sn(4) Sn(OH)6-2 0.0 Sn
-Sr Sr+2 0.0 Sr 87.62
-Tl Tl(OH)3 0.0 Tl 204.383
-Tl(1) Tl+ 0.0 Tl
-Tl(3) Tl(OH)3 0.0 Tl
-U UO2+2 0.0 U 238.029
-U(3) U+3 0.0 U
-U(4) U+4 -4.0 U
-U(5) UO2+ 0.0 U
-U(6) UO2+2 0.0 U
-V VO2+ -2.0 V 50.94
-V(2) V+2 0.0 V
-V(3) V+3 -3.0 V
-V(4) VO+2 0.0 V
-V(5) VO2+ -2.0 V
-Zn Zn+2 0.0 Zn 65.39
-Benzoate Benzoate- 0.0 121.116 121.116
-Phenylacetate Phenylacetate- 0.0 135.142 135.142
-Isophthalate Isophthalate-2 0.0 164.117 164.117
-Diethylamine Diethylamine 1.0 73.138 73.138
-Butylamine Butylamine 1.0 73.138 73.138
-Methylamine Methylamine 1.0 31.057 31.057
-Dimethylamine Dimethylamine 1.0 45.084 45.084
-Hexylamine Hexylamine 1.0 101.192 101.192
-Ethylenediamine Ethylenediamine 2.0 60.099 60.099
-Propylamine Propylamine 1.0 59.111 59.111
-Isopropylamine Isopropylamine 1.0 59.111 59.111
-Trimethylamine Trimethylamine 1.0 59.111 59.111
-Citrate Citrate-3 2.0 189.102 189.102
-Nta Nta-3 1.0 188.117 188.117
-Edta Edta-4 2.0 288.214 288.214
-Propionate Propionate- 1.0 73.072 73.072
-Butyrate Butyrate- 1.0 87.098 87.098
-Isobutyrate Isobutyrate- 1.0 87.098 87.098
-Two_picoline Two_picoline 1.0 93.128 93.128
-Three_picoline Three_picoline 1.0 93.128 93.128
-Four_picoline Four_picoline 1.0 93.128 93.128
-Formate Formate- 0.0 45.018 45.018
-Isovalerate Isovalerate- 1.0 101.125 101.125
-Valerate Valerate- 1.0 101.125 101.125
-Acetate Acetate- 1.0 59.045 59.045
-Tartarate Tartarate-2 0.0 148.072 148.072
-Glycine Glycine- 1.0 74.059 74.059
-Salicylate Salicylate-2 1.0 136.107 136.107
-Glutamate Glutamate-2 1.0 145.115 145.115
-Phthalate Phthalate-2 1.0 164.117 164.117
-SOLUTION_SPECIES
-e- = e-
- log_k 0
-H2O = H2O
- log_k 0
-Ag+ = Ag+
- log_k 0
-Al+3 = Al+3
- log_k 0
-H3AsO4 = H3AsO4
- log_k 0
-H3BO3 = H3BO3
- log_k 0
-Ba+2 = Ba+2
- log_k 0
-Be+2 = Be+2
- log_k 0
-Br- = Br-
- log_k 0
-CO3-2 = CO3-2
- log_k 0
-Cyanide- = Cyanide-
- log_k 0
-Dom_a = Dom_a
- log_k 0
-Dom_b = Dom_b
- log_k 0
-Dom_c = Dom_c
- log_k 0
-Ca+2 = Ca+2
- log_k 0
-Cd+2 = Cd+2
- log_k 0
-Cl- = Cl-
- log_k 0
-Co+3 = Co+3
- log_k 0
-CrO4-2 = CrO4-2
- log_k 0
-Cu+2 = Cu+2
- log_k 0
-F- = F-
- log_k 0
-Fe+3 = Fe+3
- log_k 0
-H+ = H+
- log_k 0
-Hg(OH)2 = Hg(OH)2
- log_k 0
-I- = I-
- log_k 0
-K+ = K+
- log_k 0
-Li+ = Li+
- log_k 0
-Mg+2 = Mg+2
- log_k 0
-Mn+3 = Mn+3
- log_k 0
-MoO4-2 = MoO4-2
- log_k 0
-NO3- = NO3-
- log_k 0
-Na+ = Na+
- log_k 0
-Ni+2 = Ni+2
- log_k 0
-PO4-3 = PO4-3
- log_k 0
-Pb+2 = Pb+2
- log_k 0
-SO4-2 = SO4-2
- log_k 0
-Sb(OH)6- = Sb(OH)6-
- log_k 0
-SeO4-2 = SeO4-2
- log_k 0
-H4SiO4 = H4SiO4
- log_k 0
-Sn(OH)6-2 = Sn(OH)6-2
- log_k 0
-Sr+2 = Sr+2
- log_k 0
-Tl(OH)3 = Tl(OH)3
- log_k 0
-UO2+2 = UO2+2
- log_k 0
-VO2+ = VO2+
- log_k 0
-Benzoate- = Benzoate-
- log_k 0
-Phenylacetate- = Phenylacetate-
- log_k 0
-Isophthalate-2 = Isophthalate-2
- log_k 0
-Zn+2 = Zn+2
- log_k 0
-Diethylamine = Diethylamine
- log_k 0
-Butylamine = Butylamine
- log_k 0
-Methylamine = Methylamine
- log_k 0
-Dimethylamine = Dimethylamine
- log_k 0
-Hexylamine = Hexylamine
- log_k 0
-Ethylenediamine = Ethylenediamine
- log_k 0
-Propylamine = Propylamine
- log_k 0
-Isopropylamine = Isopropylamine
- log_k 0
-Trimethylamine = Trimethylamine
- log_k 0
-Citrate-3 = Citrate-3
- log_k 0
-Nta-3 = Nta-3
- log_k 0
-Edta-4 = Edta-4
- log_k 0
-Propionate- = Propionate-
- log_k 0
-Butyrate- = Butyrate-
- log_k 0
-Isobutyrate- = Isobutyrate-
- log_k 0
-Two_picoline = Two_picoline
- log_k 0
-Three_picoline = Three_picoline
- log_k 0
-Four_picoline = Four_picoline
- log_k 0
-Formate- = Formate-
- log_k 0
-Isovalerate- = Isovalerate-
- log_k 0
-Valerate- = Valerate-
- log_k 0
-Acetate- = Acetate-
- log_k 0
-Tartarate-2 = Tartarate-2
- log_k 0
-Glycine- = Glycine-
- log_k 0
-Salicylate-2 = Salicylate-2
- log_k 0
-Glutamate-2 = Glutamate-2
- log_k 0
-Phthalate-2 = Phthalate-2
- log_k 0
-SOLUTION_SPECIES
-Fe+3 + e- = Fe+2
- log_k 13.032
- delta_h -42.7 kJ
- -gamma 0 0
- # Id: 2802810
- # log K source: Bard85
- # Delta H source: Bard85
- #T and ionic strength:
-H3AsO4 + 2e- + 2H+ = H3AsO3 + H2O
- log_k 18.898
- delta_h -125.6 kJ
- -gamma 0 0
- # Id: 600610
- # log K source: Bard85
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Sb(OH)6- + 2e- + 3H+ = Sb(OH)3 + 3H2O
- log_k 24.31
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7407410
- # log K source: Bard85
- # Delta H source: MTQ3.11
- #T and ionic strength:
-UO2+2 + 3e- + 4H+ = U+3 + 2H2O
- log_k 0.42
- delta_h -42 kJ
- -gamma 0 0
- # Id: 8908930
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-UO2+2 + 2e- + 4H+ = U+4 + 2H2O
- log_k 9.216
- delta_h -144.1 kJ
- -gamma 0 0
- # Id: 8918930
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-UO2+2 + e- = UO2+
- log_k 2.785
- delta_h -13.8 kJ
- -gamma 0 0
- # Id: 8928930
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-e- + Mn+3 = Mn+2
- log_k 25.35
- delta_h -107.8 kJ
- -gamma 0 0
- # Id: 4704710
- # log K source: Bard85
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Co+3 + e- = Co+2
- log_k 32.4
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2002010
- # log K source: Bard85
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Cu+2 + e- = Cu+
- log_k 2.69
- delta_h 6.9 kJ
- -gamma 0 0
- # Id: 2302310
- # log K source: Bard85
- # Delta H source: MTQ3.11
- #T and ionic strength:
-V+3 + e- = V+2
- log_k -4.31
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9009010
- # log K source: Bard85
- # Delta H source: MTQ3.11
- #T and ionic strength:
-VO+2 + e- + 2H+ = V+3 + H2O
- log_k 5.696
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9019020
- # log K source: Bard85
- # Delta H source: MTQ3.11
- #T and ionic strength:
-VO2+ + e- + 2H+ = VO+2 + H2O
- log_k 16.903
- delta_h -122.7 kJ
- -gamma 0 0
- # Id: 9029030
- # log K source: Bard85
- # Delta H source: MTQ3.11
- #T and ionic strength:
-SO4-2 + 9H+ + 8e- = HS- + 4H2O
- log_k 33.66
- delta_h -60.14 kJ
- -gamma 0 0
- # Id: 7307320
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Sn(OH)6-2 + 2e- + 4H+ = Sn(OH)2 + 4H2O
- log_k 19.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7907910
- # log K source: Bard85
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Tl(OH)3 + 2e- + 3H+ = Tl+ + 3H2O
- log_k 45.55
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8708710
- # log K source: Bard85
- # Delta H source: MTQ3.11
- #T and ionic strength:
-HSeO3- + 6e- + 6H+ = HSe- + 3H2O
- log_k 44.86
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7607610
- # log K source: Bard85
- # Delta H source: MTQ3.11
- #T and ionic strength:
-SeO4-2 + 2e- + 3H+ = HSeO3- + H2O
- log_k 36.308
- delta_h -201.2 kJ
- -gamma 0 0
- # Id: 7617620
- # log K source: Bard85
- # Delta H source: MTQ3.11
- #T and ionic strength:
-0.5Hg2+2 + e- = Hg
- log_k 6.5667
- delta_h -45.735 kJ
- -gamma 0 0
- # Id: 3600000
- # log K source: NIST2.1.1
- # Delta H source: NIST2.1.1
- #T and ionic strength:
-
-2Hg(OH)2 + 4H+ + 2e- = Hg2+2 + 4H2O
- log_k 43.185
- delta_h -63.59 kJ
- -gamma 0 0
- # Id: 3603610
- # log K source: Bard85
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Cr(OH)2+ + 2H+ + e- = Cr+2 + 2H2O
- log_k 2.947
- delta_h 6.36 kJ
- -gamma 0 0
- # Id: 2102110
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-CrO4-2 + 6H+ + 3e- = Cr(OH)2+ + 2H2O
- log_k 67.376
- delta_h -103 kJ
- -gamma 0 0
- # Id: 2112120
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-
-2H2O = O2 + 4H+ + 4e-
-# Adjusted for equation to aqueous species
- log_k -85.9951
- -analytic 38.0229 7.99407E-03 -2.7655e+004 -1.4506e+001 199838.45
-
-2 H+ + 2 e- = H2
- log_k -3.15
- delta_h -1.759 kcal
-
-NO3- + 2 H+ + 2 e- = NO2- + H2O
- log_k 28.570
- delta_h -43.760 kcal
- -gamma 3.0000 0.0000
-
-NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O
- log_k 119.077
- delta_h -187.055 kcal
- -gamma 2.5000 0.0000
-
-Mn+2 + 4H2O = MnO4- + 8H+ + 5e-
- log_k -127.794
- delta_h 822.67 kJ
- -gamma 3 0
- # Id: 4700020
- # log K source: NIST2.1.1
- # Delta H source: NIST2.1.1
- #T and ionic strength:
-Mn+2 + 4H2O = MnO4-2 + 8H+ + 4e-
- log_k -118.422
- delta_h 711.07 kJ
- -gamma 5 0
- # Id: 4700021
- # log K source: NIST2.1.1
- # Delta H source: NIST2.1.1
- #T and ionic strength:
-HS- = S-2 + H+
- log_k -17.3
- delta_h 49.4 kJ
- -gamma 5 0
- # Id: 3307301
- # log K source: LMa1987
- # Delta H source: NIST2.1.1
- #T and ionic strength: 0.00 25.0
-HSe- = Se-2 + H+
- log_k -15
- delta_h 48.116 kJ
- -gamma 0 0
- # Id: 3307601
- # log K source: SCD3.02 (1968 DKa)
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Tl(OH)3 + 3H+ = Tl+3 + 3H2O
- log_k 3.291
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8713300
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-0.5Hg2+2 + e- = Hg
- log_k 6.5667
- delta_h -45.735 kJ
- -gamma 0 0
- # Id: 3600000
- # log K source: NIST2.1.1
- # Delta H source: NIST2.1.1
- #T and ionic strength:
-Hg(OH)2 + 2H+ = Hg+2 + 2H2O
- log_k 6.194
- delta_h -39.72 kJ
- -gamma 0 0
- # Id: 3613300
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Cr(OH)2+ + 2H+ = Cr+3 + 2H2O
- log_k 9.5688
- delta_h -129.62 kJ
- -gamma 0 0
- # Id: 2113300
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.10 20.0
-H2O = OH- + H+
- log_k -13.997
- delta_h 55.81 kJ
- -gamma 3.5 0
- # Id: 3300020
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Sn(OH)2 + 2H+ = Sn+2 + 2H2O
- log_k 7.094
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7903301
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Sn(OH)2 + H+ = SnOH+ + H2O
- log_k 3.697
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7903302
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Sn(OH)2 + H2O = Sn(OH)3- + H+
- log_k -9.497
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7903303
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-2Sn(OH)2 + 2H+ = Sn2(OH)2+2 + 2H2O
- log_k 9.394
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7903304
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-3Sn(OH)2 + 2H+ = Sn3(OH)4+2 + 2H2O
- log_k 14.394
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7903305
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Sn(OH)2 = HSnO2- + H+
- log_k -8.9347
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7903306
- # log K source: Bard85
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Sn(OH)6-2 + 6H+ = Sn+4 + 6H2O
- log_k 21.2194
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7913301
- # log K source: Bard85
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Sn(OH)6-2 = SnO3-2 + 3H2O
- log_k -2.2099
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7913302
- # log K source: Bard85
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Pb+2 + H2O = PbOH+ + H+
- log_k -7.597
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6003300
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Pb+2 + 2H2O = Pb(OH)2 + 2H+
- log_k -17.094
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6003301
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Pb+2 + 3H2O = Pb(OH)3- + 3H+
- log_k -28.091
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6003302
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-2Pb+2 + H2O = Pb2OH+3 + H+
- log_k -6.397
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6003303
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+
- log_k -23.888
- delta_h 115.24 kJ
- -gamma 0 0
- # Id: 6003304
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Pb+2 + 4H2O = Pb(OH)4-2 + 4H+
- log_k -39.699
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6003305
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-4Pb+2 + 4H2O = Pb4(OH)4+4 + 4H+
- log_k -19.988
- delta_h 88.24 kJ
- -gamma 0 0
- # Id: 6003306
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-H3BO3 + F- = BF(OH)3-
- log_k -0.399
- delta_h 7.7404 kJ
- -gamma 2.5 0
- # Id: 902700
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-H3BO3 + 2F- + H+ = BF2(OH)2- + H2O
- log_k 7.63
- delta_h 6.8408 kJ
- -gamma 2.5 0
- # Id: 902701
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-H3BO3 + 3F- + 2H+ = BF3OH- + 2H2O
- log_k 13.22
- delta_h -20.4897 kJ
- -gamma 2.5 0
- # Id: 902702
- # log K source: NIST2.1.1
- # Delta H source: NIST2.1.1
- #T and ionic strength:
-Al+3 + H2O = AlOH+2 + H+
- log_k -4.997
- delta_h 47.81 kJ
- -gamma 5.4 0
- # Id: 303300
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Al+3 + 2H2O = Al(OH)2+ + 2H+
- log_k -10.094
- delta_h 0 kJ
- -gamma 5.4 0
- # Id: 303301
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Al+3 + 3H2O = Al(OH)3 + 3H+
- log_k -16.791
- delta_h 0 kJ
- -gamma 0 0
- # Id: 303303
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Al+3 + 4H2O = Al(OH)4- + 4H+
- log_k -22.688
- delta_h 173.24 kJ
- -gamma 4.5 0
- # Id: 303302
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Tl+ + H2O = TlOH + H+
- log_k -13.207
- delta_h 56.81 kJ
- -gamma 0 0
- # Id: 8703300
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Tl(OH)3 + 2H+ = TlOH+2 + 2H2O
- log_k 2.694
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8713301
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Tl(OH)3 + H+ = Tl(OH)2+ + H2O
- log_k 1.897
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8713302
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Tl(OH)3 + H2O = Tl(OH)4- + H+
- log_k -11.697
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8713303
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Zn+2 + H2O = ZnOH+ + H+
- log_k -8.997
- delta_h 55.81 kJ
- -gamma 0 0
- # Id: 9503300
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Zn+2 + 2H2O = Zn(OH)2 + 2H+
- log_k -17.794
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9503301
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Zn+2 + 3H2O = Zn(OH)3- + 3H+
- log_k -28.091
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9503302
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Zn+2 + 4H2O = Zn(OH)4-2 + 4H+
- log_k -40.488
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9503303
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Cd+2 + H2O = CdOH+ + H+
- log_k -10.097
- delta_h 54.81 kJ
- -gamma 0 0
- # Id: 1603300
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Cd+2 + 2H2O = Cd(OH)2 + 2H+
- log_k -20.294
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1603301
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Cd+2 + 3H2O = Cd(OH)3- + 3H+
- log_k -32.505
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1603302
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 3.00 25.0
-Cd+2 + 4H2O = Cd(OH)4-2 + 4H+
- log_k -47.288
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1603303
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-2Cd+2 + H2O = Cd2OH+3 + H+
- log_k -9.397
- delta_h 45.81 kJ
- -gamma 0 0
- # Id: 1603304
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Hg(OH)2 + H+ = HgOH+ + H2O
- log_k 2.797
- delta_h -18.91 kJ
- -gamma 0 0
- # Id: 3613302
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Hg(OH)2 + H2O = Hg(OH)3- + H+
- log_k -14.897
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3613303
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Cu+2 + H2O = CuOH+ + H+
- log_k -7.497
- delta_h 35.81 kJ
- -gamma 4 0
- # Id: 2313300
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Cu+2 + 2H2O = Cu(OH)2 + 2H+
- log_k -16.194
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2313301
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Cu+2 + 3H2O = Cu(OH)3- + 3H+
- log_k -26.879
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2313302
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 25.0
-Cu+2 + 4H2O = Cu(OH)4-2 + 4H+
- log_k -39.98
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2313303
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 25.0
-2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+
- log_k -10.594
- delta_h 76.62 kJ
- -gamma 0 0
- # Id: 2313304
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Ag+ + H2O = AgOH + H+
- log_k -11.997
- delta_h 0 kJ
- -gamma 0 0
- # Id: 203300
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Ag+ + 2H2O = Ag(OH)2- + 2H+
- log_k -24.004
- delta_h 0 kJ
- -gamma 0 0
- # Id: 203301
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Ni+2 + H2O = NiOH+ + H+
- log_k -9.897
- delta_h 51.81 kJ
- -gamma 0 0
- # Id: 5403300
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Ni+2 + 2H2O = Ni(OH)2 + 2H+
- log_k -18.994
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5403301
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Ni+2 + 3H2O = Ni(OH)3- + 3H+
- log_k -29.991
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5403302
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Co+2 + H2O = CoOH+ + H+
- log_k -9.697
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2003300
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Co+2 + 2H2O = Co(OH)2 + 2H+
- log_k -18.794
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2003301
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Co+2 + 3H2O = Co(OH)3- + 3H+
- log_k -31.491
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2003302
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Co+2 + 4H2O = Co(OH)4-2 + 4H+
- log_k -46.288
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2003303
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-2Co+2 + H2O = Co2OH+3 + H+
- log_k -10.997
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2003304
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-4Co+2 + 4H2O = Co4(OH)4+4 + 4H+
- log_k -30.488
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2003306
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Co+2 + 2H2O = CoOOH- + 3H+
- log_k -32.0915
- delta_h 260.454 kJ
- -gamma 0 0
- # Id: 2003305
- # log K source: NIST2.1.1
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Co+3 + H2O = CoOH+2 + H+
- log_k -1.291
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2013300
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 3.00 25.0
-Fe+2 + H2O = FeOH+ + H+
- log_k -9.397
- delta_h 55.81 kJ
- -gamma 5 0
- # Id: 2803300
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Fe+2 + 2H2O = Fe(OH)2 + 2H+
- log_k -20.494
- delta_h 119.62 kJ
- -gamma 0 0
- # Id: 2803302
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Fe+2 + 3H2O = Fe(OH)3- + 3H+
- log_k -28.991
- delta_h 126.43 kJ
- -gamma 5 0
- # Id: 2803301
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Fe+3 + H2O = FeOH+2 + H+
- log_k -2.187
- delta_h 41.81 kJ
- -gamma 5 0
- # Id: 2813300
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Fe+3 + 2H2O = Fe(OH)2+ + 2H+
- log_k -4.594
- delta_h 0 kJ
- -gamma 5.4 0
- # Id: 2813301
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Fe+3 + 3H2O = Fe(OH)3 + 3H+
- log_k -12.56
- delta_h 103.8 kJ
- -gamma 0 0
- # Id: 2813302
- # log K source: Nord90
- # Delta H source: Nord90
- #T and ionic strength: 0.00 25.0
-Fe+3 + 4H2O = Fe(OH)4- + 4H+
- log_k -21.588
- delta_h 0 kJ
- -gamma 5.4 0
- # Id: 2813303
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-2Fe+3 + 2H2O = Fe2(OH)2+4 + 2H+
- log_k -2.854
- delta_h 57.62 kJ
- -gamma 0 0
- # Id: 2813304
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-3Fe+3 + 4H2O = Fe3(OH)4+5 + 4H+
- log_k -6.288
- delta_h 65.24 kJ
- -gamma 0 0
- # Id: 2813305
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Mn+2 + H2O = MnOH+ + H+
- log_k -10.597
- delta_h 55.81 kJ
- -gamma 5 0
- # Id: 4703300
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Mn+2 + 3H2O = Mn(OH)3- + 3H+
- log_k -34.8
- delta_h 0 kJ
- -gamma 5 0
- # Id: 4703301
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Mn+2 + 4H2O = Mn(OH)4-2 + 4H+
- log_k -48.288
- delta_h 0 kJ
- -gamma 5 0
- # Id: 4703302
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Mn+2 + 4H2O = MnO4- + 8H+ + 5e-
- log_k -127.794
- delta_h 822.67 kJ
- -gamma 3 0
- # Id: 4700020
- # log K source: NIST2.1.1
- # Delta H source: NIST2.1.1
- #T and ionic strength:
-Mn+2 + 4H2O = MnO4-2 + 8H+ + 4e-
- log_k -118.422
- delta_h 711.07 kJ
- -gamma 5 0
- # Id: 4700021
- # log K source: NIST2.1.1
- # Delta H source: NIST2.1.1
- #T and ionic strength:
-Cr(OH)2+ + H+ = Cr(OH)+2 + H2O
- log_k 5.9118
- delta_h -77.91 kJ
- -gamma 0 0
- # Id: 2113301
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Cr(OH)2+ + H2O = Cr(OH)3 + H+
- log_k -8.4222
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2113302
- # log K source: SCD3.02 (1983 RCa)
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Cr(OH)2+ + 2H2O = Cr(OH)4- + 2H+
- log_k -17.8192
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2113303
- # log K source: SCD3.02 (1983 RCa)
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Cr(OH)2+ = CrO2- + 2H+
- log_k -17.7456
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2113304
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-V+2 + H2O = VOH+ + H+
- log_k -6.487
- delta_h 59.81 kJ
- -gamma 0 0
- # Id: 9003300
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-V+3 + H2O = VOH+2 + H+
- log_k -2.297
- delta_h 43.81 kJ
- -gamma 0 0
- # Id: 9013300
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-V+3 + 2H2O = V(OH)2+ + 2H+
- log_k -6.274
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9013301
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 20.0
-V+3 + 3H2O = V(OH)3 + 3H+
- log_k -3.0843
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9013302
- # log K source: SCD3.02 (1978 TKa)
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.10 20.0
-2V+3 + 2H2O = V2(OH)2+4 + 2H+
- log_k -3.794
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9013304
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-2V+3 + 3H2O = V2(OH)3+3 + 3H+
- log_k -10.1191
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9013303
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 3.00 25.0
-VO+2 + 2H2O = V(OH)3+ + H+
- log_k -5.697
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9023300
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-2VO+2 + 2H2O = H2V2O4+2 + 2H+
- log_k -6.694
- delta_h 53.62 kJ
- -gamma 0 0
- # Id: 9023301
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-U+4 + H2O = UOH+3 + H+
- log_k -0.597
- delta_h 47.81 kJ
- -gamma 0 0
- # Id: 8913300
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-U+4 + 2H2O = U(OH)2+2 + 2H+
- log_k -2.27
- delta_h 74.1823 kJ
- -gamma 0 0
- # Id: 8913301
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-U+4 + 3H2O = U(OH)3+ + 3H+
- log_k -4.935
- delta_h 94.7467 kJ
- -gamma 0 0
- # Id: 8913302
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-U+4 + 4H2O = U(OH)4 + 4H+
- log_k -8.498
- delta_h 103.596 kJ
- -gamma 0 0
- # Id: 8913303
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-U+4 + 5H2O = U(OH)5- + 5H+
- log_k -13.12
- delta_h 115.374 kJ
- -gamma 0 0
- # Id: 8913304
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-6U+4 + 15H2O = U6(OH)15+9 + 15H+
- log_k -17.155
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8913305
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-UO2+2 + H2O = UO2OH+ + H+
- log_k -5.897
- delta_h 47.81 kJ
- -gamma 0 0
- # Id: 8933300
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-2UO2+2 + 2H2O = (UO2)2(OH)2+2 + 2H+
- log_k -5.574
- delta_h 41.82 kJ
- -gamma 0 0
- # Id: 8933301
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-3UO2+2 + 5H2O = (UO2)3(OH)5+ + 5H+
- log_k -15.585
- delta_h 108.05 kJ
- -gamma 0 0
- # Id: 8933302
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Be+2 + H2O = BeOH+ + H+
- log_k -5.397
- delta_h 0 kJ
- -gamma 6.5 0
- # Id: 1103301
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Be+2 + 2H2O = Be(OH)2 + 2H+
- log_k -13.594
- delta_h 0 kJ
- -gamma 6.5 0
- # Id: 1103302
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Be+2 + 3H2O = Be(OH)3- + 3H+
- log_k -23.191
- delta_h 0 kJ
- -gamma 6.5 0
- # Id: 1103303
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Be+2 + 4H2O = Be(OH)4-2 + 4H+
- log_k -37.388
- delta_h 0 kJ
- -gamma 6.5 0
- # Id: 1103304
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-2Be+2 + H2O = Be2OH+3 + H+
- log_k -3.177
- delta_h 0 kJ
- -gamma 6.5 0
- # Id: 1103305
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.10 25.0
-3Be+2 + 3H2O = Be3(OH)3+3 + 3H+
- log_k -8.8076
- delta_h 0 kJ
- -gamma 6.5 0
- # Id: 1103306
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.10 25.0
-Mg+2 + H2O = MgOH+ + H+
- log_k -11.397
- delta_h 67.81 kJ
- -gamma 6.5 0
- # Id: 4603300
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Ca+2 + H2O = CaOH+ + H+
- log_k -12.697
- delta_h 64.11 kJ
- -gamma 6 0
- # Id: 1503300
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Sr+2 + H2O = SrOH+ + H+
- log_k -13.177
- delta_h 60.81 kJ
- -gamma 5 0
- # Id: 8003300
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Ba+2 + H2O = BaOH+ + H+
- log_k -13.357
- delta_h 60.81 kJ
- -gamma 5 0
- # Id: 1003300
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-H+ + F- = HF
- log_k 3.17
- delta_h 13.3 kJ
- -gamma 0 0
- # Id: 3302700
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-H+ + 2F- = HF2-
- log_k 3.75
- delta_h 17.4 kJ
- -gamma 3.5 0
- # Id: 3302701
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-2F- + 2H+ = H2F2
- log_k 6.768
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3302702
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Sb(OH)3 + F- + H+ = SbOF + 2H2O
- log_k 6.1864
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7402700
- # log K source: PNL89
- # Delta H source: PNL89
- #T and ionic strength:
-Sb(OH)3 + F- + H+ = Sb(OH)2F + H2O
- log_k 6.1937
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7402702
- # log K source: PNL89
- # Delta H source: PNL89
- #T and ionic strength:
-H4SiO4 + 4H+ + 6F- = SiF6-2 + 4H2O
- log_k 30.18
- delta_h -68 kJ
- -gamma 5 0
- # Id: 7702700
- # log K source: Nord90
- # Delta H source: Nord90
- #T and ionic strength: 0.00 25.0
-Sn(OH)2 + 2H+ + F- = SnF+ + 2H2O
- log_k 11.582
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7902701
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 25.0
-Sn(OH)2 + 2H+ + 2F- = SnF2 + 2H2O
- log_k 14.386
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7902702
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 25.0
-Sn(OH)2 + 2H+ + 3F- = SnF3- + 2H2O
- log_k 17.206
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7902703
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 25.0
-Sn(OH)6-2 + 6H+ + 6F- = SnF6-2 + 6H2O
- log_k 33.5844
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7912701
- # log K source: Bard85
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Pb+2 + F- = PbF+
- log_k 1.848
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6002700
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 25.0
-Pb+2 + 2F- = PbF2
- log_k 3.142
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6002701
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 25.0
-Pb+2 + 3F- = PbF3-
- log_k 3.42
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6002702
- # log K source: SCD3.02 (1956 TKa)
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Pb+2 + 4F- = PbF4-2
- log_k 3.1
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6002703
- # log K source: SCD3.02 (1956 TKa)
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-H3BO3 + 3H+ + 4F- = BF4- + 3H2O
- log_k 19.912
- delta_h -18.67 kJ
- -gamma 2.5 0
- # Id: 902703
- # log K source: NIST46.3
- # Delta H source: NIST2.1.1
- #T and ionic strength: 1.00 25.0
-Al+3 + F- = AlF+2
- log_k 7
- delta_h 4.6 kJ
- -gamma 5.4 0
- # Id: 302700
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Al+3 + 2F- = AlF2+
- log_k 12.6
- delta_h 8.3 kJ
- -gamma 5.4 0
- # Id: 302701
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Al+3 + 3F- = AlF3
- log_k 16.7
- delta_h 8.7 kJ
- -gamma 0 0
- # Id: 302702
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Al+3 + 4F- = AlF4-
- log_k 19.4
- delta_h 8.7 kJ
- -gamma 4.5 0
- # Id: 302703
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Tl+ + F- = TlF
- log_k 0.1
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8702700
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Zn+2 + F- = ZnF+
- log_k 1.3
- delta_h 11 kJ
- -gamma 0 0
- # Id: 9502700
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Cd+2 + F- = CdF+
- log_k 1.2
- delta_h 5 kJ
- -gamma 0 0
- # Id: 1602700
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Cd+2 + 2F- = CdF2
- log_k 1.5
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1602701
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Hg(OH)2 + 2H+ + F- = HgF+ + 2H2O
- log_k 7.763
- delta_h -35.72 kJ
- -gamma 0 0
- # Id: 3612701
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.50 25.0
-Cu+2 + F- = CuF+
- log_k 1.8
- delta_h 13 kJ
- -gamma 0 0
- # Id: 2312700
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Ag+ + F- = AgF
- log_k 0.4
- delta_h 12 kJ
- -gamma 0 0
- # Id: 202700
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Ni+2 + F- = NiF+
- log_k 1.4
- delta_h 7.1 kJ
- -gamma 0 0
- # Id: 5402700
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Co+2 + F- = CoF+
- log_k 1.5
- delta_h 9.2 kJ
- -gamma 0 0
- # Id: 2002700
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Fe+3 + F- = FeF+2
- log_k 6.04
- delta_h 10 kJ
- -gamma 5 0
- # Id: 2812700
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Fe+3 + 2F- = FeF2+
- log_k 10.4675
- delta_h 17 kJ
- -gamma 5 0
- # Id: 2812701
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.50 25.0
-Fe+3 + 3F- = FeF3
- log_k 13.617
- delta_h 29 kJ
- -gamma 0 0
- # Id: 2812702
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.50 25.0
-Mn+2 + F- = MnF+
- log_k 1.6
- delta_h 11 kJ
- -gamma 5 0
- # Id: 4702700
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Cr(OH)2+ + 2H+ + F- = CrF+2 + 2H2O
- log_k 14.7688
- delta_h -70.2452 kJ
- -gamma 0 0
- # Id: 2112700
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-VO+2 + F- = VOF+
- log_k 3.778
- delta_h 7.9 kJ
- -gamma 0 0
- # Id: 9022700
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 1.00 25.0
-VO+2 + 2F- = VOF2
- log_k 6.352
- delta_h 14 kJ
- -gamma 0 0
- # Id: 9022701
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 1.00 25.0
-VO+2 + 3F- = VOF3-
- log_k 7.902
- delta_h 20 kJ
- -gamma 0 0
- # Id: 9022702
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 1.00 25.0
-VO+2 + 4F- = VOF4-2
- log_k 8.508
- delta_h 26 kJ
- -gamma 0 0
- # Id: 9022703
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 1.00 25.0
-VO2+ + F- = VO2F
- log_k 3.244
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9032700
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 25.0
-VO2+ + 2F- = VO2F2-
- log_k 5.804
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9032701
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 20.0
-VO2+ + 3F- = VO2F3-2
- log_k 6.9
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9032702
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 20.0
-VO2+ + 4F- = VO2F4-3
- log_k 6.592
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9032703
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 20.0
-U+4 + F- = UF+3
- log_k 9.3
- delta_h 21.1292 kJ
- -gamma 0 0
- # Id: 8912700
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-U+4 + 2F- = UF2+2
- log_k 16.4
- delta_h 30.1248 kJ
- -gamma 0 0
- # Id: 8912701
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-U+4 + 3F- = UF3+
- log_k 21.6
- delta_h 29.9156 kJ
- -gamma 0 0
- # Id: 8912702
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-U+4 + 4F- = UF4
- log_k 23.64
- delta_h 19.2464 kJ
- -gamma 0 0
- # Id: 8912703
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-U+4 + 5F- = UF5-
- log_k 25.238
- delta_h 20.2924 kJ
- -gamma 0 0
- # Id: 8912704
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-U+4 + 6F- = UF6-2
- log_k 27.718
- delta_h 13.8072 kJ
- -gamma 0 0
- # Id: 8912705
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-UO2+2 + F- = UO2F+
- log_k 5.14
- delta_h 1 kJ
- -gamma 0 0
- # Id: 8932700
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-UO2+2 + 2F- = UO2F2
- log_k 8.6
- delta_h 2 kJ
- -gamma 0 0
- # Id: 8932701
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-UO2+2 + 3F- = UO2F3-
- log_k 11
- delta_h 2 kJ
- -gamma 0 0
- # Id: 8932702
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-UO2+2 + 4F- = UO2F4-2
- log_k 11.9
- delta_h 0.4 kJ
- -gamma 0 0
- # Id: 8932703
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Be+2 + F- = BeF+
- log_k 5.249
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1102701
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.50 25.0
-Be+2 + 2F- = BeF2
- log_k 9.1285
- delta_h -4 kJ
- -gamma 0 0
- # Id: 1102702
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.50 25.0
-Be+2 + 3F- = BeF3-
- log_k 11.9085
- delta_h -8 kJ
- -gamma 0 0
- # Id: 1102703
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.50 25.0
-Mg+2 + F- = MgF+
- log_k 2.05
- delta_h 13 kJ
- -gamma 4.5 0
- # Id: 4602700
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Ca+2 + F- = CaF+
- log_k 1.038
- delta_h 14 kJ
- -gamma 5 0
- # Id: 1502700
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 1.00 25.0
-Sr+2 + F- = SrF+
- log_k 0.548
- delta_h 16 kJ
- -gamma 0 0
- # Id: 8002701
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 1.00 25.0
-Na+ + F- = NaF
- log_k -0.2
- delta_h 12 kJ
- -gamma 0 0
- # Id: 5002700
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Sn(OH)2 + 2H+ + Cl- = SnCl+ + 2H2O
- log_k 8.734
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7901801
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Sn(OH)2 + 2H+ + 2Cl- = SnCl2 + 2H2O
- log_k 9.524
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7901802
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Sn(OH)2 + 2H+ + 3Cl- = SnCl3- + 2H2O
- log_k 8.3505
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7901803
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 2.00 25.0
-Pb+2 + Cl- = PbCl+
- log_k 1.55
- delta_h 8.7 kJ
- -gamma 0 0
- # Id: 6001800
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Pb+2 + 2Cl- = PbCl2
- log_k 2.2
- delta_h 12 kJ
- -gamma 0 0
- # Id: 6001801
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Pb+2 + 3Cl- = PbCl3-
- log_k 1.8
- delta_h 4 kJ
- -gamma 0 0
- # Id: 6001802
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Pb+2 + 4Cl- = PbCl4-2
- log_k 1.46
- delta_h 14.7695 kJ
- -gamma 0 0
- # Id: 6001803
- # log K source: SCD3.02 (1984 SEa)
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Tl+ + Cl- = TlCl
- log_k 0.51
- delta_h -6.2 kJ
- -gamma 0 0
- # Id: 8701800
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Tl+ + 2Cl- = TlCl2-
- log_k 0.28
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8701801
- # log K source: SCD3.02 (1992 RAb)
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Tl(OH)3 + 3H+ + Cl- = TlCl+2 + 3H2O
- log_k 11.011
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8711800
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Tl(OH)3 + 3H+ + 2Cl- = TlCl2+ + 3H2O
- log_k 16.771
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8711801
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Tl(OH)3 + 3H+ + 3Cl- = TlCl3 + 3H2O
- log_k 19.791
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8711802
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Tl(OH)3 + 3H+ + 4Cl- = TlCl4- + 3H2O
- log_k 21.591
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8711803
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Tl(OH)3 + Cl- + 2H+ = TlOHCl+ + 2H2O
- log_k 10.629
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8711804
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Zn+2 + Cl- = ZnCl+
- log_k 0.4
- delta_h 5.4 kJ
- -gamma 4 0
- # Id: 9501800
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Zn+2 + 2Cl- = ZnCl2
- log_k 0.6
- delta_h 37 kJ
- -gamma 0 0
- # Id: 9501801
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Zn+2 + 3Cl- = ZnCl3-
- log_k 0.5
- delta_h 39.999 kJ
- -gamma 4 0
- # Id: 9501802
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Zn+2 + 4Cl- = ZnCl4-2
- log_k 0.199
- delta_h 45.8566 kJ
- -gamma 5 0
- # Id: 9501803
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Zn+2 + H2O + Cl- = ZnOHCl + H+
- log_k -7.48
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9501804
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Cd+2 + Cl- = CdCl+
- log_k 1.98
- delta_h 1 kJ
- -gamma 0 0
- # Id: 1601800
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Cd+2 + 2Cl- = CdCl2
- log_k 2.6
- delta_h 3 kJ
- -gamma 0 0
- # Id: 1601801
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Cd+2 + 3Cl- = CdCl3-
- log_k 2.4
- delta_h 10 kJ
- -gamma 0 0
- # Id: 1601802
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Cd+2 + H2O + Cl- = CdOHCl + H+
- log_k -7.404
- delta_h 18.2213 kJ
- -gamma 0 0
- # Id: 1601803
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Hg(OH)2 + 2H+ + Cl- = HgCl+ + 2H2O
- log_k 13.494
- delta_h -62.72 kJ
- -gamma 0 0
- # Id: 3611800
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Hg(OH)2 + 2H+ + 2Cl- = HgCl2 + 2H2O
- log_k 20.194
- delta_h -92.42 kJ
- -gamma 0 0
- # Id: 3611801
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Hg(OH)2 + 2H+ + 3Cl- = HgCl3- + 2H2O
- log_k 21.194
- delta_h -94.02 kJ
- -gamma 0 0
- # Id: 3611802
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Hg(OH)2 + 2H+ + 4Cl- = HgCl4-2 + 2H2O
- log_k 21.794
- delta_h -100.72 kJ
- -gamma 0 0
- # Id: 3611803
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Hg(OH)2 + Cl- + I- + 2H+ = HgClI + 2H2O
- log_k 25.532
- delta_h -135.3 kJ
- -gamma 0 0
- # Id: 3611804
- # log K source: NIST2.1.1
- # Delta H source: NIST2.1.1
- #T and ionic strength:
-Hg(OH)2 + H+ + Cl- = HgClOH + H2O
- log_k 10.444
- delta_h -42.72 kJ
- -gamma 0 0
- # Id: 3611805
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 1.00 25.0
-Cu+2 + Cl- = CuCl+
- log_k 0.2
- delta_h 8.3 kJ
- -gamma 4 0
- # Id: 2311800
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Cu+2 + 2Cl- = CuCl2
- log_k -0.26
- delta_h 44.183 kJ
- -gamma 0 0
- # Id: 2311801
- # log K source: SCD3.02 (1989 IPa)
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Cu+2 + 3Cl- = CuCl3-
- log_k -2.29
- delta_h 57.279 kJ
- -gamma 4 0
- # Id: 2311802
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Cu+2 + 4Cl- = CuCl4-2
- log_k -4.59
- delta_h 32.5515 kJ
- -gamma 5 0
- # Id: 2311803
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Cu+ + 2Cl- = CuCl2-
- log_k 5.42
- delta_h -1.7573 kJ
- -gamma 4 0
- # Id: 2301800
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Cu+ + 3Cl- = CuCl3-2
- log_k 4.75
- delta_h 1.0878 kJ
- -gamma 5 0
- # Id: 2301801
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Cu+ + Cl- = CuCl
- log_k 3.1
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2301802
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Ag+ + Cl- = AgCl
- log_k 3.31
- delta_h -12 kJ
- -gamma 0 0
- # Id: 201800
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Ag+ + 2Cl- = AgCl2-
- log_k 5.25
- delta_h -16 kJ
- -gamma 0 0
- # Id: 201801
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Ag+ + 3Cl- = AgCl3-2
- log_k 5.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 201802
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Ag+ + 4Cl- = AgCl4-3
- log_k 5.51
- delta_h 0 kJ
- -gamma 0 0
- # Id: 201803
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Ni+2 + Cl- = NiCl+
- log_k 0.408
- delta_h 2 kJ
- -gamma 0 0
- # Id: 5401800
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 1.00 25.0
-Ni+2 + 2Cl- = NiCl2
- log_k -1.89
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5401801
- # log K source: SCD3.02 (1989 IPa)
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Co+2 + Cl- = CoCl+
- log_k 0.539
- delta_h 2 kJ
- -gamma 0 0
- # Id: 2001800
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.50 25.0
-Co+3 + Cl- = CoCl+2
- log_k 2.3085
- delta_h 16 kJ
- -gamma 0 0
- # Id: 2011800
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.50 25.0
-Fe+3 + Cl- = FeCl+2
- log_k 1.48
- delta_h 23 kJ
- -gamma 5 0
- # Id: 2811800
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Fe+3 + 2Cl- = FeCl2+
- log_k 2.13
- delta_h 0 kJ
- -gamma 5 0
- # Id: 2811801
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Fe+3 + 3Cl- = FeCl3
- log_k 1.13
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2811802
- # log K source: Nord90
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Mn+2 + Cl- = MnCl+
- log_k 0.1
- delta_h 0 kJ
- -gamma 5 0
- # Id: 4701800
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 20.0
-Mn+2 + 2Cl- = MnCl2
- log_k 0.25
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4701801
- # log K source: Nord90
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Mn+2 + 3Cl- = MnCl3-
- log_k -0.31
- delta_h 0 kJ
- -gamma 5 0
- # Id: 4701802
- # log K source: Nord90
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Cr(OH)2+ + 2H+ + Cl- = CrCl+2 + 2H2O
- log_k 9.6808
- delta_h -103.62 kJ
- -gamma 0 0
- # Id: 2111800
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 1.00 25.0
-Cr(OH)2+ + 2Cl- + 2H+ = CrCl2+ + 2H2O
- log_k 8.658
- delta_h -39.2208 kJ
- -gamma 0 0
- # Id: 2111801
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Cr(OH)2+ + 2Cl- + H+ = CrOHCl2 + H2O
- log_k 2.9627
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2111802
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-VO+2 + Cl- = VOCl+
- log_k 0.448
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9021800
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 20.0
-U+4 + Cl- = UCl+3
- log_k 1.7
- delta_h -20 kJ
- -gamma 0 0
- # Id: 8911800
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-UO2+2 + Cl- = UO2Cl+
- log_k 0.21
- delta_h 16 kJ
- -gamma 0 0
- # Id: 8931800
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Be+2 + Cl- = BeCl+
- log_k 0.2009
- delta_h 0 kJ
- -gamma 5 0
- # Id: 1101801
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.70 20.0
-Sn(OH)2 + 2H+ + Br- = SnBr+ + 2H2O
- log_k 8.254
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7901301
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Sn(OH)2 + 2H+ + 2Br- = SnBr2 + 2H2O
- log_k 8.794
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7901302
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Sn(OH)2 + 2H+ + 3Br- = SnBr3- + 2H2O
- log_k 7.48
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7901303
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 3.00 25.0
-Pb+2 + Br- = PbBr+
- log_k 1.7
- delta_h 8 kJ
- -gamma 0 0
- # Id: 6001300
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Pb+2 + 2Br- = PbBr2
- log_k 2.6
- delta_h -4 kJ
- -gamma 0 0
- # Id: 6001301
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Tl+ + Br- = TlBr
- log_k 0.91
- delta_h -12 kJ
- -gamma 0 0
- # Id: 8701300
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Tl+ + 2Br- = TlBr2-
- log_k -0.384
- delta_h 12.36 kJ
- -gamma 0 0
- # Id: 8701301
- # log K source: NIST46.3
- # Delta H source: NIST2.1.1
- #T and ionic strength: 4.00 25.0
-Tl+ + Br- + Cl- = TlBrCl-
- log_k 0.8165
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8701302
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Tl+ + I- + Br- = TlIBr-
- log_k 2.185
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8703802
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Tl(OH)3 + 3H+ + Br- = TlBr+2 + 3H2O
- log_k 12.803
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8711300
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 25.0
-Tl(OH)3 + 3H+ + 2Br- = TlBr2+ + 3H2O
- log_k 20.711
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8711301
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 25.0
-Tl(OH)3 + 3Br- + 3H+ = TlBr3 + 3H2O
- log_k 27.0244
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8711302
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Tl(OH)3 + 4Br- + 3H+ = TlBr4- + 3H2O
- log_k 31.1533
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8711303
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Zn+2 + Br- = ZnBr+
- log_k -0.07
- delta_h 1 kJ
- -gamma 0 0
- # Id: 9501300
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Zn+2 + 2Br- = ZnBr2
- log_k -0.98
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9501301
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Cd+2 + Br- = CdBr+
- log_k 2.15
- delta_h -3 kJ
- -gamma 0 0
- # Id: 1601300
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Cd+2 + 2Br- = CdBr2
- log_k 3
- delta_h -3 kJ
- -gamma 0 0
- # Id: 1601301
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Hg(OH)2 + 2H+ + Br- = HgBr+ + 2H2O
- log_k 15.803
- delta_h -81.92 kJ
- -gamma 0 0
- # Id: 3611301
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.50 25.0
-Hg(OH)2 + 2H+ + 2Br- = HgBr2 + 2H2O
- log_k 24.2725
- delta_h -127.12 kJ
- -gamma 0 0
- # Id: 3611302
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.50 25.0
-Hg(OH)2 + 2H+ + 3Br- = HgBr3- + 2H2O
- log_k 26.7025
- delta_h -138.82 kJ
- -gamma 0 0
- # Id: 3611303
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.50 25.0
-Hg(OH)2 + 2H+ + 4Br- = HgBr4-2 + 2H2O
- log_k 27.933
- delta_h -153.72 kJ
- -gamma 0 0
- # Id: 3611304
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.50 25.0
-Hg(OH)2 + Br- + Cl- + 2H+ = HgBrCl + 2H2O
- log_k 22.1811
- delta_h -113.77 kJ
- -gamma 0 0
- # Id: 3611305
- # log K source: NIST2.1.1
- # Delta H source: NIST2.1.1
- #T and ionic strength:
-Hg(OH)2 + Br- + I- + 2H+ = HgBrI + 2H2O
- log_k 27.3133
- delta_h -151.27 kJ
- -gamma 0 0
- # Id: 3611306
- # log K source: NIST2.1.1
- # Delta H source: NIST2.1.1
- #T and ionic strength:
-Hg(OH)2 + Br- + 3I- + 2H+ = HgBrI3-2 + 2H2O
- log_k 34.2135
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3611307
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Hg(OH)2 + 2Br- + 2I- + 2H+ = HgBr2I2-2 + 2H2O
- log_k 32.3994
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3611308
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Hg(OH)2 + 3Br- + I- + 2H+ = HgBr3I-2 + 2H2O
- log_k 30.1528
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3611309
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Hg(OH)2 + H+ + Br- = HgBrOH + H2O
- log_k 12.433
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3613301
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.50 25.0
-Ag+ + Br- = AgBr
- log_k 4.6
- delta_h 0 kJ
- -gamma 0 0
- # Id: 201300
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Ag+ + 2Br- = AgBr2-
- log_k 7.5
- delta_h 0 kJ
- -gamma 0 0
- # Id: 201301
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Ag+ + 3Br- = AgBr3-2
- log_k 8.1
- delta_h 0 kJ
- -gamma 0 0
- # Id: 201302
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Ni+2 + Br- = NiBr+
- log_k 0.5
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5401300
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Cr(OH)2+ + Br- + 2H+ = CrBr+2 + 2H2O
- log_k 7.5519
- delta_h -46.9068 kJ
- -gamma 0 0
- # Id: 2111300
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Be+2 + Br- = BeBr+
- log_k 0.1009
- delta_h 0 kJ
- -gamma 5 0
- # Id: 1101301
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.70 20.0
-Pb+2 + I- = PbI+
- log_k 2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6003800
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Pb+2 + 2I- = PbI2
- log_k 3.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6003801
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Tl+ + I- = TlI
- log_k 1.4279
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8703800
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Tl+ + 2I- = TlI2-
- log_k 1.8588
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8703801
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Tl(OH)3 + 4I- + 3H+ = TlI4- + 3H2O
- log_k 34.7596
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8713800
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Zn+2 + I- = ZnI+
- log_k -2.0427
- delta_h -4 kJ
- -gamma 0 0
- # Id: 9503800
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 3.00 25.0
-Zn+2 + 2I- = ZnI2
- log_k -1.69
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9503801
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Cd+2 + I- = CdI+
- log_k 2.28
- delta_h -9.6 kJ
- -gamma 0 0
- # Id: 1603800
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Cd+2 + 2I- = CdI2
- log_k 3.92
- delta_h -12 kJ
- -gamma 0 0
- # Id: 1603801
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Hg(OH)2 + 2H+ + I- = HgI+ + 2H2O
- log_k 19.603
- delta_h -111.22 kJ
- -gamma 0 0
- # Id: 3613801
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.50 25.0
-Hg(OH)2 + 2H+ + 2I- = HgI2 + 2H2O
- log_k 30.8225
- delta_h -182.72 kJ
- -gamma 0 0
- # Id: 3613802
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.50 25.0
-Hg(OH)2 + 2H+ + 3I- = HgI3- + 2H2O
- log_k 34.6025
- delta_h -194.22 kJ
- -gamma 0 0
- # Id: 3613803
- # log K source: NIST46.4
- # Delta H source: NIST2.1.1
- #T and ionic strength: 0.50 25.0
-Hg(OH)2 + 2H+ + 4I- = HgI4-2 + 2H2O
- log_k 36.533
- delta_h -220.72 kJ
- -gamma 0 0
- # Id: 3613804
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.50 25.0
-Ag+ + I- = AgI
- log_k 6.6
- delta_h 0 kJ
- -gamma 0 0
- # Id: 203800
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 18.0
-Ag+ + 2I- = AgI2-
- log_k 11.7
- delta_h 0 kJ
- -gamma 0 0
- # Id: 203801
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 18.0
-Ag+ + 3I- = AgI3-2
- log_k 12.6
- delta_h -122 kJ
- -gamma 0 0
- # Id: 203802
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Ag+ + 4I- = AgI4-3
- log_k 14.229
- delta_h 0 kJ
- -gamma 0 0
- # Id: 203803
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 2.00 25.0
-Cr(OH)2+ + I- + 2H+ = CrI+2 + 2H2O
- log_k 4.8289
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2113800
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-H+ + HS- = H2S
- log_k 7.02
- delta_h -22 kJ
- -gamma 0 0
- # Id: 3307300
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Pb+2 + 2HS- = Pb(HS)2
- log_k 15.27
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6007300
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Pb+2 + 3HS- = Pb(HS)3-
- log_k 16.57
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6007301
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Tl+ + HS- = TlHS
- log_k 2.474
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8707300
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 25.0
-2Tl+ + HS- = Tl2HS+
- log_k 5.974
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8707301
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 25.0
-2Tl+ + 3HS- + H2O = Tl2OH(HS)3-2 + H+
- log_k 1.0044
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8707302
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-2Tl+ + 2HS- + 2H2O = Tl2(OH)2(HS)2-2 + 2H+
- log_k -11.0681
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8707303
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Zn+2 + 2HS- = Zn(HS)2
- log_k 12.82
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9507300
- # log K source: DHa1993
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Zn+2 + 3HS- = Zn(HS)3-
- log_k 16.1
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9507301
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Zn+2 + 3HS- = ZnS(HS)2-2 + H+
- log_k 6.12
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9507302
- # log K source: DHa1993
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Zn+2 + 2HS- + 2HS- = Zn(HS)4-2
- log_k 14.64
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9507303
- # log K source: DHa1993
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Zn+2 + 2HS- = ZnS(HS)- + H+
- log_k 6.81
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9507304
- # log K source: DHa1993
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Cd+2 + HS- = CdHS+
- log_k 8.008
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1607300
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 25.0
-Cd+2 + 2HS- = Cd(HS)2
- log_k 15.212
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1607301
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 25.0
-Cd+2 + 3HS- = Cd(HS)3-
- log_k 17.112
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1607302
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 25.0
-Cd+2 + 4HS- = Cd(HS)4-2
- log_k 19.308
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1607303
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 25.0
-Hg(OH)2 + 2HS- = HgS2-2 + 2H2O
- log_k 29.414
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3617300
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 20.0
-Hg(OH)2 + 2H+ + 2HS- = Hg(HS)2 + 2H2O
- log_k 44.516
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3617301
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 20.0
-Hg(OH)2 + H+ + 2HS- = HgHS2- + 2H2O
- log_k 38.122
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3617302
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 20.0
-Cu+2 + 3HS- = Cu(HS)3-
- log_k 25.899
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2317300
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Ag+ + HS- = AgHS
- log_k 13.8145
- delta_h 0 kJ
- -gamma 0 0
- # Id: 207300
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.10 20.0
-Ag+ + 2HS- = Ag(HS)2-
- log_k 17.9145
- delta_h 0 kJ
- -gamma 0 0
- # Id: 207301
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.10 20.0
-Fe+2 + 2HS- = Fe(HS)2
- log_k 8.95
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2807300
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Fe+2 + 3HS- = Fe(HS)3-
- log_k 10.987
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2807301
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-HS- = S2-2 + H+
- log_k -11.7828
- delta_h 46.4 kJ
- -gamma 0 0
- -no_check
- # Id: 7317300
- # log K source: NIST2.1.1
- # Delta H source: NIST2.1.1
- #T and ionic strength:
-HS- = S3-2 + H+
- log_k -10.7667
- delta_h 42.2 kJ
- -gamma 0 0
- -no_check
- # Id: 7317301
- # log K source: NIST2.1.1
- # Delta H source: NIST2.1.1
- #T and ionic strength:
-HS- = S4-2 + H+
- log_k -9.9608
- delta_h 39.3 kJ
- -gamma 0 0
- -no_check
- # Id: 7317302
- # log K source: NIST2.1.1
- # Delta H source: NIST2.1.1
- #T and ionic strength:
-HS- = S5-2 + H+
- log_k -9.3651
- delta_h 37.6 kJ
- -gamma 0 0
- -no_check
- # Id: 7317303
- # log K source: NIST2.1.1
- # Delta H source: NIST2.1.1
- #T and ionic strength:
-HS- = S6-2 + H+
- log_k -9.881
- delta_h 0 kJ
- -gamma 0 0
- -no_check
- # Id: 7317304
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-2Sb(OH)3 + 4HS- + 2H+ = Sb2S4-2 + 6H2O
- log_k 49.3886
- delta_h -321.78 kJ
- -gamma 0 0
- # Id: 7407300
- # log K source: NIST2.1.1
- # Delta H source: NIST2.1.1
- #T and ionic strength:
-Cu+ + 2HS- = Cu(S4)2-3 + 2H+
- log_k 3.39
- delta_h 0 kJ
- -gamma 23 0
- -no_check
- # Id: 2307300
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Cu+ + 2HS- = CuS4S5-3 + 2H+
- log_k 2.66
- delta_h 0 kJ
- -gamma 25 0
- -no_check
- # Id: 2307301
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Ag+ + 2HS- = Ag(S4)2-3 + 2H+
- log_k 0.991
- delta_h 0 kJ
- -gamma 22 0
- -no_check
- # Id: 207302
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Ag+ + 2HS- = AgS4S5-3 + 2H+
- log_k 0.68
- delta_h 0 kJ
- -gamma 24 0
- -no_check
- # Id: 207303
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Ag+ + 2HS- = Ag(HS)S4-2 + H+
- log_k 10.431
- delta_h 0 kJ
- -gamma 15 0
- -no_check
- # Id: 207304
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-H+ + SO4-2 = HSO4-
- log_k 1.99
- delta_h 22 kJ
- -gamma 4.5 0
- # Id: 3307320
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-NH4+ + SO4-2 = NH4SO4-
- log_k 1.03
- delta_h 0 kJ
- -gamma 5 0
- # Id: 4907320
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Pb+2 + SO4-2 = PbSO4
- log_k 2.69
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6007320
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Pb+2 + 2SO4-2 = Pb(SO4)2-2
- log_k 3.47
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6007321
- # log K source: SCD3.02 (1960 RKa)
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Al+3 + SO4-2 = AlSO4+
- log_k 3.89
- delta_h 28 kJ
- -gamma 4.5 0
- # Id: 307320
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Al+3 + 2SO4-2 = Al(SO4)2-
- log_k 4.92
- delta_h 11.9 kJ
- -gamma 4.5 0
- # Id: 307321
- # log K source: Nord90
- # Delta H source: Nord90
- #T and ionic strength: 0.00 25.0
-Tl+ + SO4-2 = TlSO4-
- log_k 1.37
- delta_h -0.8 kJ
- -gamma 0 0
- # Id: 8707320
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Zn+2 + SO4-2 = ZnSO4
- log_k 2.34
- delta_h 6.2 kJ
- -gamma 0 0
- # Id: 9507320
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Zn+2 + 2SO4-2 = Zn(SO4)2-2
- log_k 3.28
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9507321
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Cd+2 + SO4-2 = CdSO4
- log_k 2.37
- delta_h 8.7 kJ
- -gamma 0 0
- # Id: 1607320
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Cd+2 + 2SO4-2 = Cd(SO4)2-2
- log_k 3.5
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1607321
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Hg(OH)2 + 2H+ + SO4-2 = HgSO4 + 2H2O
- log_k 8.612
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3617320
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.50 25.0
-Cu+2 + SO4-2 = CuSO4
- log_k 2.36
- delta_h 8.7 kJ
- -gamma 0 0
- # Id: 2317320
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Ag+ + SO4-2 = AgSO4-
- log_k 1.3
- delta_h 6.2 kJ
- -gamma 0 0
- # Id: 207320
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Ni+2 + SO4-2 = NiSO4
- log_k 2.3
- delta_h 5.8 kJ
- -gamma 0 0
- # Id: 5407320
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Ni+2 + 2SO4-2 = Ni(SO4)2-2
- log_k 0.82
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5407321
- # log K source: SCD3.02 (1978 BLa)
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Co+2 + SO4-2 = CoSO4
- log_k 2.3
- delta_h 6.2 kJ
- -gamma 0 0
- # Id: 2007320
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Fe+2 + SO4-2 = FeSO4
- log_k 2.39
- delta_h 8 kJ
- -gamma 0 0
- # Id: 2807320
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Fe+3 + SO4-2 = FeSO4+
- log_k 4.05
- delta_h 25 kJ
- -gamma 5 0
- # Id: 2817320
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Fe+3 + 2SO4-2 = Fe(SO4)2-
- log_k 5.38
- delta_h 19.2 kJ
- -gamma 0 0
- # Id: 2817321
- # log K source: Nord90
- # Delta H source: Nord90
- #T and ionic strength: 0.00 25.0
-Mn+2 + SO4-2 = MnSO4
- log_k 2.25
- delta_h 8.7 kJ
- -gamma 0 0
- # Id: 4707320
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Cr(OH)2+ + 2H+ + SO4-2 = CrSO4+ + 2H2O
- log_k 12.9371
- delta_h -98.62 kJ
- -gamma 0 0
- # Id: 2117320
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 1.00 50.0
-Cr(OH)2+ + H+ + SO4-2 = CrOHSO4 + H2O
- log_k 8.2871
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2117321
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.10 25.0
-2Cr(OH)2+ + SO4-2 + 2H+ = Cr2(OH)2SO4+2 + 2H2O
- log_k 16.155
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2117323
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-2Cr(OH)2+ + 2SO4-2 + 2H+ = Cr2(OH)2(SO4)2 + 2H2O
- log_k 17.9288
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2117324
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-U+4 + SO4-2 = USO4+2
- log_k 6.6
- delta_h 8 kJ
- -gamma 0 0
- # Id: 8917320
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-U+4 + 2SO4-2 = U(SO4)2
- log_k 10.5
- delta_h 33 kJ
- -gamma 0 0
- # Id: 8917321
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-UO2+2 + SO4-2 = UO2SO4
- log_k 3.18
- delta_h 20 kJ
- -gamma 0 0
- # Id: 8937320
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-UO2+2 + 2SO4-2 = UO2(SO4)2-2
- log_k 4.3
- delta_h 38 kJ
- -gamma 0 0
- # Id: 8937321
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-V+3 + SO4-2 = VSO4+
- log_k 2.674
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9017320
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 25.0
-VO+2 + SO4-2 = VOSO4
- log_k 2.44
- delta_h 17 kJ
- -gamma 0 0
- # Id: 9027320
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-VO2+ + SO4-2 = VO2SO4-
- log_k 1.378
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9037320
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 20.0
-Be+2 + SO4-2 = BeSO4
- log_k 2.19
- delta_h 29 kJ
- -gamma 0 0
- # Id: 1107321
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Be+2 + 2SO4-2 = Be(SO4)2-2
- log_k 2.596
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1107322
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 25.0
-Mg+2 + SO4-2 = MgSO4
- log_k 2.26
- delta_h 5.8 kJ
- -gamma 0 0
- # Id: 4607320
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Ca+2 + SO4-2 = CaSO4
- log_k 2.36
- delta_h 7.1 kJ
- -gamma 0 0
- # Id: 1507320
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Sr+2 + SO4-2 = SrSO4
- log_k 2.3
- delta_h 8 kJ
- -gamma 0 0
- # Id: 8007321
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Li+ + SO4-2 = LiSO4-
- log_k 0.64
- delta_h 0 kJ
- -gamma 5 0
- # Id: 4407320
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Na+ + SO4-2 = NaSO4-
- log_k 0.73
- delta_h 1 kJ
- -gamma 5.4 0
- # Id: 5007320
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-K+ + SO4-2 = KSO4-
- log_k 0.85
- delta_h 4.1 kJ
- -gamma 5.4 0
- # Id: 4107320
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-HSe- + H+ = H2Se
- log_k 3.89
- delta_h 3.3 kJ
- -gamma 0 0
- # Id: 3307600
- # log K source: NIST46.3
- # Delta H source: NIST2.1.1
- #T and ionic strength: 0.00 25.0
-2Ag+ + HSe- = Ag2Se + H+
- log_k 34.911
- delta_h 0 kJ
- -gamma 0 0
- # Id: 207600
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 25.0
-Ag+ + H2O + 2HSe- = AgOH(Se)2-4 + 3H+
- log_k -20.509
- delta_h 0 kJ
- -gamma 0 0
- # Id: 207601
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 25.0
-Mn+2 + HSe- = MnSe + H+
- log_k -5.385
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4707600
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 25.0
-HSeO3- = SeO3-2 + H+
- log_k -8.4
- delta_h 5.02 kJ
- -gamma 0 0
- # Id: 3307611
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-HSeO3- + H+ = H2SeO3
- log_k 2.63
- delta_h 6.2 kJ
- -gamma 0 0
- # Id: 3307610
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Cd+2 + 2HSeO3- = Cd(SeO3)2-2 + 2H+
- log_k -10.884
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1607610
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 25.0
-Ag+ + HSeO3- = AgSeO3- + H+
- log_k -5.592
- delta_h 0 kJ
- -gamma 0 0
- # Id: 207610
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 25.0
-Ag+ + 2HSeO3- = Ag(SeO3)2-3 + 2H+
- log_k -13.04
- delta_h 0 kJ
- -gamma 0 0
- # Id: 207611
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 25.0
-Fe+3 + HSeO3- = FeHSeO3+2
- log_k 3.422
- delta_h 25 kJ
- -gamma 0 0
- # Id: 2817610
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 1.00 25.0
-SeO4-2 + H+ = HSeO4-
- log_k 1.7
- delta_h 23 kJ
- -gamma 0 0
- # Id: 3307620
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Zn+2 + SeO4-2 = ZnSeO4
- log_k 2.19
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9507620
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Zn+2 + 2SeO4-2 = Zn(SeO4)2-2
- log_k 2.196
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9507621
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 25.0
-Cd+2 + SeO4-2 = CdSeO4
- log_k 2.27
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1607620
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Ni+2 + SeO4-2 = NiSeO4
- log_k 2.67
- delta_h 14 kJ
- -gamma 0 0
- # Id: 5407620
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Co+2 + SeO4-2 = CoSeO4
- log_k 2.7
- delta_h 12 kJ
- -gamma 0 0
- # Id: 2007621
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Mn+2 + SeO4-2 = MnSeO4
- log_k 2.43
- delta_h 14 kJ
- -gamma 0 0
- # Id: 4707620
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-NH4+ = NH3 + H+
- log_k -9.244
- delta_h 52 kJ
- -gamma 0 0
- # Id: 3304900
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Ag+ + NH4+ = AgNH3+ + H+
- log_k -5.934
- delta_h -72 kJ
- -gamma 0 0
- # Id: 204901
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Ag+ + 2NH4+ = Ag(NH3)2+ + 2H+
- log_k -11.268
- delta_h -160 kJ
- -gamma 0 0
- # Id: 204902
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Hg(OH)2 + H+ + NH4+ = HgNH3+2 + 2H2O
- log_k 5.75
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3614900
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 2.00 22.0
-Hg(OH)2 + 2NH4+ = Hg(NH3)2+2 + 2H2O
- log_k 5.506
- delta_h -246.72 kJ
- -gamma 0 0
- # Id: 3614901
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 1.00 25.0
-Hg(OH)2 + 3NH4+ = Hg(NH3)3+2 + 2H2O + H+
- log_k -3.138
- delta_h -312.72 kJ
- -gamma 0 0
- # Id: 3614902
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 2.00 25.0
-Hg(OH)2 + 4NH4+ = Hg(NH3)4+2 + 2H2O + 2H+
- log_k -11.482
- delta_h -379.72 kJ
- -gamma 0 0
- # Id: 3614903
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.10 25.0
-Cu+2 + NH4+ = CuNH3+2 + H+
- log_k -5.234
- delta_h -72 kJ
- -gamma 0 0
- # Id: 2314901
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Ni+2 + NH4+ = NiNH3+2 + H+
- log_k -6.514
- delta_h -67 kJ
- -gamma 0 0
- # Id: 5404901
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.10 25.0
-Ni+2 + 2NH4+ = Ni(NH3)2+2 + 2H+
- log_k -13.598
- delta_h -111.6 kJ
- -gamma 0 0
- # Id: 5404902
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.10 25.0
-Co+2 + NH4+ = Co(NH3)+2 + H+
- log_k -7.164
- delta_h -65 kJ
- -gamma 0 0
- # Id: 2004900
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.10 25.0
-Co+2 + 2NH4+ = Co(NH3)2+2 + 2H+
- log_k -14.778
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2004901
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 2.00 25.0
-Co+2 + 3NH4+ = Co(NH3)3+2 + 3H+
- log_k -22.922
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2004902
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 2.00 25.0
-Co+2 + 4NH4+ = Co(NH3)4+2 + 4H+
- log_k -31.446
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2004903
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 2.00 30.0
-Co+2 + 5NH4+ = Co(NH3)5+2 + 5H+
- log_k -40.47
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2004904
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 2.00 30.0
-Co+3 + 6NH4+ + H2O = Co(NH3)6OH+2 + 7H+
- log_k -43.7148
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2014901
- # log K source: NIST2.1.1
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Co+3 + 5NH4+ + Cl- = Co(NH3)5Cl+2 + 5H+
- log_k -17.9584
- delta_h 113.38 kJ
- -gamma 0 0
- # Id: 2014902
- # log K source: NIST2.1.1
- # Delta H source: NIST2.1.1
- #T and ionic strength:
-Co+3 + 6NH4+ + Cl- = Co(NH3)6Cl+2 + 6H+
- log_k -33.9179
- delta_h 104.34 kJ
- -gamma 0 0
- # Id: 2014903
- # log K source: NIST2.1.1
- # Delta H source: NIST2.1.1
- #T and ionic strength:
-Co+3 + 6NH4+ + Br- = Co(NH3)6Br+2 + 6H+
- log_k -33.8884
- delta_h 110.57 kJ
- -gamma 0 0
- # Id: 2014904
- # log K source: NIST2.1.1
- # Delta H source: NIST2.1.1
- #T and ionic strength:
-Co+3 + 6NH4+ + I- = Co(NH3)6I+2 + 6H+
- log_k -33.4808
- delta_h 115.44 kJ
- -gamma 0 0
- # Id: 2014905
- # log K source: NIST2.1.1
- # Delta H source: NIST2.1.1
- #T and ionic strength:
-Co+3 + 6NH4+ + SO4-2 = Co(NH3)6SO4+ + 6H+
- log_k -28.9926
- delta_h 124.5 kJ
- -gamma 0 0
- # Id: 2014906
- # log K source: NIST2.1.1
- # Delta H source: NIST2.1.1
- #T and ionic strength:
-Cr(OH)2+ + 6NH4+ = Cr(NH3)6+3 + 2H2O + 4H+
- log_k -32.8952
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2114900
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 4.50 25.0
-Cr(OH)2+ + 5NH4+ = Cr(NH3)5OH+2 + 4H+ + H2O
- log_k -30.2759
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2114901
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Cr(OH)2+ + 6NH4+ + Cl- = Cr(NH3)6Cl+2 + 2H2O + 4H+
- log_k -31.7932
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2114904
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Cr(OH)2+ + 6NH4+ + Br- = Cr(NH3)6Br+2 + 4H+ + 2H2O
- log_k -31.887
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2114905
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Cr(OH)2+ + 6NH4+ + I- = Cr(NH3)6I+2 + 4H+ + 2H2O
- log_k -32.008
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2114906
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-#Cr(OH)2+ + 4NH4+ = cis+ + 4H+
-# log_k -29.8574
-# delta_h 0 kJ
-# -gamma 0 0
-# # Id: 4902113
-# # log K source: MTQ3.11
-# # Delta H source: MTQ3.11
-# #T and ionic strength:
-#Cr(OH)2+ + 4NH4+ = trans+ + 4H+
-# log_k -30.5537
-# delta_h 0 kJ
-# -gamma 0 0
-# # Id: 4902114
-# # log K source: MTQ3.11
-# # Delta H source: MTQ3.11
-# #T and ionic strength:
-Ca+2 + NH4+ = CaNH3+2 + H+
- log_k -9.144
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1504901
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.50 25.0
-Ca+2 + 2NH4+ = Ca(NH3)2+2 + 2H+
- log_k -18.788
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1504902
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.50 25.0
-Sr+2 + NH4+ = SrNH3+2 + H+
- log_k -9.344
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8004901
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.50 25.0
-Ba+2 + NH4+ = BaNH3+2 + H+
- log_k -9.444
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1004901
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.50 25.0
-Tl+ + NO2- = TlNO2
- log_k 0.83
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8704910
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Ag+ + NO2- = AgNO2
- log_k 2.32
- delta_h -29 kJ
- -gamma 0 0
- # Id: 204911
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Ag+ + 2NO2- = Ag(NO2)2-
- log_k 2.51
- delta_h -46 kJ
- -gamma 0 0
- # Id: 204910
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Cu+2 + NO2- = CuNO2+
- log_k 2.02
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2314911
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Cu+2 + 2NO2- = Cu(NO2)2
- log_k 3.03
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2314912
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Co+2 + NO2- = CoNO2+
- log_k 0.848
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2004911
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 25.0
-Sn(OH)2 + 2H+ + NO3- = SnNO3+ + 2H2O
- log_k 7.942
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7904921
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 25.0
-Pb+2 + NO3- = PbNO3+
- log_k 1.17
- delta_h 2 kJ
- -gamma 0 0
- # Id: 6004920
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Pb+2 + 2NO3- = Pb(NO3)2
- log_k 1.4
- delta_h -6.6 kJ
- -gamma 0 0
- # Id: 6004921
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Tl+ + NO3- = TlNO3
- log_k 0.33
- delta_h -2 kJ
- -gamma 0 0
- # Id: 8704920
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Tl(OH)3 + NO3- + 3H+ = TlNO3+2 + 3H2O
- log_k 7.0073
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8714920
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Cd+2 + NO3- = CdNO3+
- log_k 0.5
- delta_h -21 kJ
- -gamma 0 0
- # Id: 1604920
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Cd+2 + 2NO3- = Cd(NO3)2
- log_k 0.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1604921
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Hg(OH)2 + 2H+ + NO3- = HgNO3+ + 2H2O
- log_k 5.7613
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3614920
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 3.00 25.0
-Hg(OH)2 + 2H+ + 2NO3- = Hg(NO3)2 + 2H2O
- log_k 5.38
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3614921
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 3.00 25.0
-Cu+2 + NO3- = CuNO3+
- log_k 0.5
- delta_h -4.1 kJ
- -gamma 0 0
- # Id: 2314921
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Cu+2 + 2NO3- = Cu(NO3)2
- log_k -0.4
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2314922
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Zn+2 + NO3- = ZnNO3+
- log_k 0.4
- delta_h -4.6 kJ
- -gamma 0 0
- # Id: 9504921
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Zn+2 + 2NO3- = Zn(NO3)2
- log_k -0.3
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9504922
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Ag+ + NO3- = AgNO3
- log_k -0.1
- delta_h 22.6 kJ
- -gamma 0 0
- # Id: 204920
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Ni+2 + NO3- = NiNO3+
- log_k 0.4
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5404921
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Co+2 + NO3- = CoNO3+
- log_k 0.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2004921
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Co+2 + 2NO3- = Co(NO3)2
- log_k 0.5085
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2004922
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.50 25.0
-Fe+3 + NO3- = FeNO3+2
- log_k 1
- delta_h -37 kJ
- -gamma 0 0
- # Id: 2814921
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Mn+2 + NO3- = MnNO3+
- log_k 0.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4704921
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Mn+2 + 2NO3- = Mn(NO3)2
- log_k 0.6
- delta_h -1.6569 kJ
- -gamma 0 0
- # Id: 4704920
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Cr(OH)2+ + NO3- + 2H+ = CrNO3+2 + 2H2O
- log_k 8.2094
- delta_h -65.4378 kJ
- -gamma 0 0
- # Id: 2114920
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-UO2+2 + NO3- = UO2NO3+
- log_k 0.3
- delta_h -12 kJ
- -gamma 0 0
- # Id: 8934921
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-VO2+ + NO3- = VO2NO3
- log_k -0.296
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9034920
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 20.0
-Ca+2 + NO3- = CaNO3+
- log_k 0.5
- delta_h -5.4 kJ
- -gamma 0 0
- # Id: 1504921
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Sr+2 + NO3- = SrNO3+
- log_k 0.6
- delta_h -10 kJ
- -gamma 0 0
- # Id: 8004921
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Ba+2 + NO3- = BaNO3+
- log_k 0.7
- delta_h -13 kJ
- -gamma 0 0
- # Id: 1004921
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-H+ + Cyanide- = HCyanide
- log_k 9.21
- delta_h -43.63 kJ
- -gamma 0 0
- # Id: 3301431
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Cd+2 + Cyanide- = CdCyanide+
- log_k 6.01
- delta_h -30 kJ
- -gamma 0 0
- # Id: 1601431
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Cd+2 + 2Cyanide- = Cd(Cyanide)2
- log_k 11.12
- delta_h -54.3 kJ
- -gamma 0 0
- # Id: 1601432
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Cd+2 + 3Cyanide- = Cd(Cyanide)3-
- log_k 15.65
- delta_h -90.3 kJ
- -gamma 0 0
- # Id: 1601433
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Cd+2 + 4Cyanide- = Cd(Cyanide)4-2
- log_k 17.92
- delta_h -112 kJ
- -gamma 0 0
- # Id: 1601434
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Hg(OH)2 + 2H+ + Cyanide- = HgCyanide+ + 2H2O
- log_k 23.194
- delta_h -136.72 kJ
- -gamma 0 0
- # Id: 3611431
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Hg(OH)2 + 2H+ + 2Cyanide- = Hg(Cyanide)2 + 2H2O
- log_k 38.944
- delta_h 154.28 kJ
- -gamma 0 0
- # Id: 3611432
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Hg(OH)2 + 2H+ + 3Cyanide- = Hg(Cyanide)3- + 2H2O
- log_k 42.504
- delta_h -262.72 kJ
- -gamma 0 0
- # Id: 3611433
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Hg(OH)2 + 2H+ + 4Cyanide- = Hg(Cyanide)4-2 + 2H2O
- log_k 45.164
- delta_h -288.72 kJ
- -gamma 0 0
- # Id: 3611434
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Cu+ + 2Cyanide- = Cu(Cyanide)2-
- log_k 21.9145
- delta_h -121 kJ
- -gamma 0 0
- # Id: 2301432
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.10 25.0
-Cu+ + 3Cyanide- = Cu(Cyanide)3-2
- log_k 27.2145
- delta_h -167.4 kJ
- -gamma 0 0
- # Id: 2301433
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Cu+ + 4Cyanide- = Cu(Cyanide)4-3
- log_k 28.7145
- delta_h -214.2 kJ
- -gamma 0 0
- # Id: 2301431
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Ag+ + 2Cyanide- = Ag(Cyanide)2-
- log_k 20.48
- delta_h -137 kJ
- -gamma 0 0
- # Id: 201432
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Ag+ + 3Cyanide- = Ag(Cyanide)3-2
- log_k 21.7
- delta_h -140 kJ
- -gamma 0 0
- # Id: 201433
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Ag+ + H2O + Cyanide- = Ag(Cyanide)OH- + H+
- log_k -0.777
- delta_h 0 kJ
- -gamma 0 0
- # Id: 201431
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Ni+2 + 4Cyanide- = Ni(Cyanide)4-2
- log_k 30.2
- delta_h -180 kJ
- -gamma 0 0
- # Id: 5401431
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Ni+2 + 4Cyanide- + H+ = NiH(Cyanide)4-
- log_k 36.0289
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5401432
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.10 25.0
-Ni+2 + 4Cyanide- + 2H+ = NiH2Cyanide4
- log_k 40.7434
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5401433
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.10 25.0
-Ni+2 + 4Cyanide- + 3H+ = NiH3(Cyanide)4+
- log_k 43.3434
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5401434
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.10 25.0
-Co+2 + 3Cyanide- = Co(Cyanide)3-
- log_k 14.312
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2001431
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 1.00 25.0
-Co+2 + 5Cyanide- = Co(Cyanide)5-3
- log_k 23
- delta_h -257 kJ
- -gamma 0 0
- # Id: 2001432
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 1.00 25.0
-Fe+2 + 6Cyanide- = Fe(Cyanide)6-4
- log_k 35.4
- delta_h -358 kJ
- -gamma 0 0
- # Id: 2801431
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-H+ + Fe+2 + 6Cyanide- = HFe(Cyanide)6-3
- log_k 39.71
- delta_h -356 kJ
- -gamma 0 0
- # Id: 2801432
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-2H+ + Fe+2 + 6Cyanide- = H2Fe(Cyanide)6-2
- log_k 42.11
- delta_h -352 kJ
- -gamma 0 0
- # Id: 2801433
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Fe+3 + 6Cyanide- = Fe(Cyanide)6-3
- log_k 43.6
- delta_h -293 kJ
- -gamma 0 0
- # Id: 2811431
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-2Fe+3 + 6Cyanide- = Fe2(Cyanide)6
- log_k 47.6355
- delta_h -218 kJ
- -gamma 0 0
- # Id: 2811432
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.50 25.0
-Sn(OH)2 + Fe+3 + 6Cyanide- + 2H+ = SnFe(Cyanide)6- + 2H2O
- log_k 53.54
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7901431
- # log K source: Ba1987
- # Delta H source:
- #T and ionic strength: 0.00 25.0
-NH4+ + Fe+2 + 6Cyanide- = NH4Fe(Cyanide)6-3
- log_k 37.7
- delta_h -354 kJ
- -gamma 0 0
- # Id: 4901431
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Tl+ + Fe+2 + 6Cyanide- = TlFe(Cyanide)6-3
- log_k 38.4
- delta_h -365.5 kJ
- -gamma 0 0
- # Id: 8701432
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Mg+2 + Fe+3 + 6Cyanide- = MgFe(Cyanide)6-
- log_k 46.39
- delta_h -290 kJ
- -gamma 0 0
- # Id: 4601431
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Mg+2 + Fe+2 + 6Cyanide- = MgFe(Cyanide)6-2
- log_k 39.21
- delta_h -346 kJ
- -gamma 0 0
- # Id: 4601432
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Ca+2 + Fe+3 + 6Cyanide- = CaFe(Cyanide)6-
- log_k 46.43
- delta_h -291 kJ
- -gamma 0 0
- # Id: 1501431
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Ca+2 + Fe+2 + 6Cyanide- = CaFe(Cyanide)6-2
- log_k 39.1
- delta_h -347 kJ
- -gamma 0 0
- # Id: 1501432
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-2Ca+2 + Fe+2 + 6Cyanide- = Ca2Fe(Cyanide)6
- log_k 40.6
- delta_h -350.201 kJ
- -gamma 0 0
- # Id: 1501433
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Sr+2 + Fe+3 + 6Cyanide- = SrFe(Cyanide)6-
- log_k 46.45
- delta_h -292 kJ
- -gamma 0 0
- # Id: 8001431
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Sr+2 + Fe+2 + 6Cyanide- = SrFe(Cyanide)6-2
- log_k 39.1
- delta_h -350 kJ
- -gamma 0 0
- # Id: 8001432
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Ba+2 + Fe+2 + 6Cyanide- = BaFe(Cyanide)6-2
- log_k 39.19
- delta_h -342 kJ
- -gamma 0 0
- # Id: 1001430
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Ba+2 + Fe+3 + 6Cyanide- = BaFe(Cyanide)6-
- log_k 46.48
- delta_h -292 kJ
- -gamma 0 0
- # Id: 1001431
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Na+ + Fe+2 + 6Cyanide- = NaFe(Cyanide)6-3
- log_k 37.6
- delta_h -354 kJ
- -gamma 0 0
- # Id: 5001431
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-K+ + Fe+2 + 6Cyanide- = KFe(Cyanide)6-3
- log_k 37.75
- delta_h -353.9 kJ
- -gamma 0 0
- # Id: 4101433
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-K+ + Fe+3 + 6Cyanide- = KFe(Cyanide)6-2
- log_k 45.04
- delta_h -291 kJ
- -gamma 0 0
- # Id: 4101430
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-H+ + PO4-3 = HPO4-2
- log_k 12.375
- delta_h -15 kJ
- -gamma 5 0
- # Id: 3305800
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-2H+ + PO4-3 = H2PO4-
- log_k 19.573
- delta_h -18 kJ
- -gamma 5.4 0
- # Id: 3305801
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-3H+ + PO4-3 = H3PO4
- log_k 21.721
- delta_h -10.1 kJ
- -gamma 0 0
- # Id: 3305802
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Co+2 + H+ + PO4-3 = CoHPO4
- log_k 15.4128
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2005800
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.10 25.0
-Fe+2 + 2H+ + PO4-3 = FeH2PO4+
- log_k 22.273
- delta_h 0 kJ
- -gamma 5.4 0
- # Id: 2805800
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Fe+2 + H+ + PO4-3 = FeHPO4
- log_k 15.975
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2805801
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Fe+3 + 2H+ + PO4-3 = FeH2PO4+2
- log_k 23.8515
- delta_h 0 kJ
- -gamma 5.4 0
- # Id: 2815801
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.50 25.0
-Fe+3 + H+ + PO4-3 = FeHPO4+
- log_k 22.292
- delta_h -30.5432 kJ
- -gamma 5.4 0
- # Id: 2815800
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.50 25.0
-Cr(OH)2+ + 4H+ + PO4-3 = CrH2PO4+2 + 2H2O
- log_k 31.9068
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2115800
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-U+4 + PO4-3 + H+ = UHPO4+2
- log_k 24.443
- delta_h 31.38 kJ
- -gamma 0 0
- # Id: 8915800
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-U+4 + 2PO4-3 + 2H+ = U(HPO4)2
- log_k 46.833
- delta_h 7.1128 kJ
- -gamma 0 0
- # Id: 8915801
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-U+4 + 3PO4-3 + 3H+ = U(HPO4)3-2
- log_k 67.564
- delta_h -32.6352 kJ
- -gamma 0 0
- # Id: 8915802
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-U+4 + 4PO4-3 + 4H+ = U(HPO4)4-4
- log_k 88.483
- delta_h -110.876 kJ
- -gamma 0 0
- # Id: 8915803
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-UO2+2 + H+ + PO4-3 = UO2HPO4
- log_k 19.655
- delta_h -8.7864 kJ
- -gamma 0 0
- # Id: 8935800
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-UO2+2 + 2PO4-3 + 2H+ = UO2(HPO4)2-2
- log_k 42.988
- delta_h -47.6934 kJ
- -gamma 0 0
- # Id: 8935801
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-UO2+2 + 2H+ + PO4-3 = UO2H2PO4+
- log_k 22.833
- delta_h -15.4808 kJ
- -gamma 0 0
- # Id: 8935802
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-UO2+2 + 2PO4-3 + 4H+ = UO2(H2PO4)2
- log_k 44.7
- delta_h -69.036 kJ
- -gamma 0 0
- # Id: 8935803
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-UO2+2 + 3PO4-3 + 6H+ = UO2(H2PO4)3-
- log_k 66.245
- delta_h -119.662 kJ
- -gamma 0 0
- # Id: 8935804
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-UO2+2 + PO4-3 = UO2PO4-
- log_k 13.25
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8935805
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Mg+2 + PO4-3 = MgPO4-
- log_k 4.654
- delta_h 12.9704 kJ
- -gamma 5.4 0
- # Id: 4605800
- # log K source: SCD3.02 (1993 GMa)
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.20 25.0
-Mg+2 + 2H+ + PO4-3 = MgH2PO4+
- log_k 21.2561
- delta_h -4.6861 kJ
- -gamma 5.4 0
- # Id: 4605801
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 37.0
-Mg+2 + H+ + PO4-3 = MgHPO4
- log_k 15.175
- delta_h -3 kJ
- -gamma 0 0
- # Id: 4605802
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Ca+2 + H+ + PO4-3 = CaHPO4
- log_k 15.035
- delta_h -3 kJ
- -gamma 0 0
- # Id: 1505800
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Ca+2 + PO4-3 = CaPO4-
- log_k 6.46
- delta_h 12.9704 kJ
- -gamma 5.4 0
- # Id: 1505801
- # log K source: SCD3.02 (1993 GMa)
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Ca+2 + 2H+ + PO4-3 = CaH2PO4+
- log_k 20.923
- delta_h -6 kJ
- -gamma 5.4 0
- # Id: 1505802
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Sr+2 + H+ + PO4-3 = SrHPO4
- log_k 14.8728
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8005800
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.10 25.0
-Sr+2 + 2H+ + PO4-3 = SrH2PO4+
- log_k 20.4019
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8005801
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.10 20.0
-Na+ + H+ + PO4-3 = NaHPO4-
- log_k 13.445
- delta_h 0 kJ
- -gamma 5.4 0
- # Id: 5005800
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-K+ + H+ + PO4-3 = KHPO4-
- log_k 13.255
- delta_h 0 kJ
- -gamma 5.4 0
- # Id: 4105800
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-H3AsO3 = AsO3-3 + 3H+
- log_k -34.744
- delta_h 84.726 kJ
- -gamma 0 0
- # Id: 3300602
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-H3AsO3 = HAsO3-2 + 2H+
- log_k -21.33
- delta_h 59.4086 kJ
- -gamma 0 0
- # Id: 3300601
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-H3AsO3 = H2AsO3- + H+
- log_k -9.29
- delta_h 27.41 kJ
- -gamma 0 0
- # Id: 3300600
- # log K source: NIST46.4
- # Delta H source: NIST2.1.1
- #T and ionic strength: 0.00 25.0
-H3AsO3 + H+ = H4AsO3+
- log_k -0.305
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3300603
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-H3AsO4 = AsO4-3 + 3H+
- log_k -20.7
- delta_h 12.9 kJ
- -gamma 0 0
- # Id: 3300613
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-H3AsO4 = HAsO4-2 + 2H+
- log_k -9.2
- delta_h -4.1 kJ
- -gamma 0 0
- # Id: 3300612
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-H3AsO4 = H2AsO4- + H+
- log_k -2.24
- delta_h -7.1 kJ
- -gamma 0 0
- # Id: 3300611
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Sb(OH)3 + H2O = Sb(OH)4- + H+
- log_k -12.0429
- delta_h 69.8519 kJ
- -gamma 0 0
- # Id: 7400020
- # log K source: PNL89
- # Delta H source: PNL89
- #T and ionic strength:
-Sb(OH)3 + H+ = Sb(OH)2+ + H2O
- log_k 1.3853
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7403302
- # log K source: PNL89
- # Delta H source: PNL89
- #T and ionic strength:
-Sb(OH)3 = HSbO2 + H2O
- log_k -0.0105
- delta_h -0.13 kJ
- -gamma 0 0
- # Id: 7400021
- # log K source: NIST2.1.1
- # Delta H source: NIST2.1.1
- #T and ionic strength:
-Sb(OH)3 = SbO2- + H2O + H+
- log_k -11.8011
- delta_h 70.1866 kJ
- -gamma 0 0
- # Id: 7403301
- # log K source: PNL89
- # Delta H source: PNL89
- #T and ionic strength:
-Sb(OH)3 + H+ = SbO+ + 2H2O
- log_k 0.9228
- delta_h 8.2425 kJ
- -gamma 0 0
- # Id: 7403300
- # log K source: PNL89
- # Delta H source: PNL89
- #T and ionic strength:
-Sb(OH)6- = SbO3- + 3H2O
- log_k 2.9319
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7410021
- # log K source: PNL89
- # Delta H source: PNL89
- #T and ionic strength:
-Sb(OH)6- + 2H+ = SbO2+ + 4H2O
- log_k 2.3895
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7413300
- # log K source: PNL89
- # Delta H source: PNL89
- #T and ionic strength:
-H+ + CO3-2 = HCO3-
- log_k 10.329
- delta_h -14.6 kJ
- -gamma 5.4 0
- # Id: 3301400
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-2H+ + CO3-2 = H2CO3
- log_k 16.681
- delta_h -23.76 kJ
- -gamma 0 0
- # Id: 3301401
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Pb+2 + 2CO3-2 = Pb(CO3)2-2
- log_k 9.938
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6001400
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.50 25.0
-Pb+2 + CO3-2 = PbCO3
- log_k 6.478
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6001401
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.50 25.0
-Pb+2 + CO3-2 + H+ = PbHCO3+
- log_k 13.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6001402
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-Zn+2 + CO3-2 = ZnCO3
- log_k 4.76
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9501401
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Zn+2 + H+ + CO3-2 = ZnHCO3+
- log_k 11.829
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9501400
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Hg(OH)2 + 2H+ + CO3-2 = HgCO3 + 2H2O
- log_k 18.272
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3611401
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.50 25.0
-Hg(OH)2 + 2H+ + 2CO3-2 = Hg(CO3)2-2 + 2H2O
- log_k 21.772
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3611402
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.50 25.0
-Hg(OH)2 + 3H+ + CO3-2 = HgHCO3+ + 2H2O
- log_k 22.542
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3611403
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.50 25.0
-Cd+2 + CO3-2 = CdCO3
- log_k 4.3578
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1601401
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.10 25.0
-Cd+2 + H+ + CO3-2 = CdHCO3+
- log_k 10.6863
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1601400
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 3.00 25.0
-Cd+2 + 2CO3-2 = Cd(CO3)2-2
- log_k 7.2278
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1601403
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.10 20.0
-Cu+2 + CO3-2 = CuCO3
- log_k 6.77
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2311400
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Cu+2 + H+ + CO3-2 = CuHCO3+
- log_k 12.129
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2311402
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Cu+2 + 2CO3-2 = Cu(CO3)2-2
- log_k 10.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2311401
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Ni+2 + CO3-2 = NiCO3
- log_k 4.5718
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5401401
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.70 25.0
-Ni+2 + H+ + CO3-2 = NiHCO3+
- log_k 12.4199
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5401400
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.70 25.0
-Co+2 + CO3-2 = CoCO3
- log_k 4.228
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2001400
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.50 25.0
-Co+2 + H+ + CO3-2 = CoHCO3+
- log_k 12.2199
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2001401
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.70 25.0
-Fe+2 + H+ + CO3-2 = FeHCO3+
- log_k 11.429
- delta_h 0 kJ
- -gamma 6 0
- # Id: 2801400
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Mn+2 + H+ + CO3-2 = MnHCO3+
- log_k 11.629
- delta_h -10.6 kJ
- -gamma 5 0
- # Id: 4701400
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-UO2+2 + CO3-2 = UO2CO3
- log_k 9.6
- delta_h 4 kJ
- -gamma 0 0
- # Id: 8931400
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-UO2+2 + 2CO3-2 = UO2(CO3)2-2
- log_k 16.9
- delta_h 16 kJ
- -gamma 0 0
- # Id: 8931401
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-UO2+2 + 3CO3-2 = UO2(CO3)3-4
- log_k 21.6
- delta_h -40 kJ
- -gamma 0 0
- # Id: 8931402
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Be+2 + CO3-2 = BeCO3
- log_k 6.2546
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1101401
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 3.00 25.0
-Mg+2 + CO3-2 = MgCO3
- log_k 2.92
- delta_h 12 kJ
- -gamma 0 0
- # Id: 4601400
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Mg+2 + H+ + CO3-2 = MgHCO3+
- log_k 11.339
- delta_h -10.6 kJ
- -gamma 4 0
- # Id: 4601401
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Ca+2 + H+ + CO3-2 = CaHCO3+
- log_k 11.599
- delta_h 5.4 kJ
- -gamma 6 0
- # Id: 1501400
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-CO3-2 + Ca+2 = CaCO3
- log_k 3.2
- delta_h 16 kJ
- -gamma 0 0
- # Id: 1501401
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-Sr+2 + CO3-2 = SrCO3
- log_k 2.81
- delta_h 20 kJ
- -gamma 0 0
- # Id: 8001401
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Sr+2 + H+ + CO3-2 = SrHCO3+
- log_k 11.539
- delta_h 10.4 kJ
- -gamma 6 0
- # Id: 8001400
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Ba+2 + CO3-2 = BaCO3
- log_k 2.71
- delta_h 16 kJ
- -gamma 0 0
- # Id: 1001401
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Ba+2 + H+ + CO3-2 = BaHCO3+
- log_k 11.309
- delta_h 10.4 kJ
- -gamma 6 0
- # Id: 1001400
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Na+ + CO3-2 = NaCO3-
- log_k 1.27
- delta_h -20.35 kJ
- -gamma 5.4 0
- # Id: 5001400
- # log K source: NIST46.3
- # Delta H source: NIST2.1.1
- #T and ionic strength: 0.00 25.0
-Na+ + H+ + CO3-2 = NaHCO3
- log_k 10.079
- delta_h -28.3301 kJ
- -gamma 0 0
- # Id: 5001401
- # log K source: NIST46.3
- # Delta H source: NIST2.1.1
- #T and ionic strength: 0.00 25.0
-H4SiO4 = H2SiO4-2 + 2H+
- log_k -23.04
- delta_h 61 kJ
- -gamma 5.4 0
- # Id: 3307701
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-H4SiO4 = H3SiO4- + H+
- log_k -9.84
- delta_h 20 kJ
- -gamma 4 0
- # Id: 3307700
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-UO2+2 + H4SiO4 = UO2H3SiO4+ + H+
- log_k -1.9111
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8937700
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.10 25.0
-H3BO3 = H2BO3- + H+
- log_k -9.236
- delta_h 13 kJ
- -gamma 2.5 0
- # Id: 3300900
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-2H3BO3 = H5(BO3)2- + H+
- log_k -9.306
- delta_h 8.4 kJ
- -gamma 2.5 0
- # Id: 3300901
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-3H3BO3 = H8(BO3)3- + H+
- log_k -7.306
- delta_h 29.4 kJ
- -gamma 2.5 0
- # Id: 3300902
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Ag+ + H3BO3 = AgH2BO3 + H+
- log_k -8.036
- delta_h 0 kJ
- -gamma 2.5 0
- # Id: 200901
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Mg+2 + H3BO3 = MgH2BO3+ + H+
- log_k -7.696
- delta_h 13 kJ
- -gamma 2.5 0
- # Id: 4600901
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Ca+2 + H3BO3 = CaH2BO3+ + H+
- log_k -7.476
- delta_h 17 kJ
- -gamma 2.5 0
- # Id: 1500901
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Sr+2 + H3BO3 = SrH2BO3+ + H+
- log_k -7.686
- delta_h 17 kJ
- -gamma 2.5 0
- # Id: 8000901
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Ba+2 + H3BO3 = BaH2BO3+ + H+
- log_k -7.746
- delta_h 17 kJ
- -gamma 2.5 0
- # Id: 1000901
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Na+ + H3BO3 = NaH2BO3 + H+
- log_k -9.036
- delta_h 0 kJ
- -gamma 2.5 0
- # Id: 5000901
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-CrO4-2 + H+ = HCrO4-
- log_k 6.51
- delta_h 2 kJ
- -gamma 0 0
- # Id: 2123300
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-CrO4-2 + 2H+ = H2CrO4
- log_k 6.4188
- delta_h 39 kJ
- -gamma 0 0
- # Id: 2123301
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 20.0
-2CrO4-2 + 2H+ = Cr2O7-2 + H2O
- log_k 14.56
- delta_h -15 kJ
- -gamma 0 0
- # Id: 2123302
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-CrO4-2 + Cl- + 2H+ = CrO3Cl- + H2O
- log_k 7.3086
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2121800
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-CrO4-2 + SO4-2 + 2H+ = CrO3SO4-2 + H2O
- log_k 8.9937
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2127320
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-CrO4-2 + 4H+ + PO4-3 = CrO3H2PO4- + H2O
- log_k 29.3634
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2125800
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-CrO4-2 + 3H+ + PO4-3 = CrO3HPO4-2 + H2O
- log_k 26.6806
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2125801
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-CrO4-2 + Na+ = NaCrO4-
- log_k 0.6963
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5002120
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-K+ + CrO4-2 = KCrO4-
- log_k 0.57
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4102120
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 18.0
-MoO4-2 + H+ = HMoO4-
- log_k 4.2988
- delta_h 20 kJ
- -gamma 0 0
- # Id: 3304801
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 20.0
-MoO4-2 + 2H+ = H2MoO4
- log_k 8.1636
- delta_h -26 kJ
- -gamma 0 0
- # Id: 3304802
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 20.0
-7MoO4-2 + 8H+ = Mo7O24-6 + 4H2O
- log_k 52.99
- delta_h -228 kJ
- -gamma 0 0
- # Id: 3304803
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.10 25.0
-7MoO4-2 + 9H+ = HMo7O24-5 + 4H2O
- log_k 59.3768
- delta_h -218 kJ
- -gamma 0 0
- # Id: 3304804
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.10 25.0
-7MoO4-2 + 10H+ = H2Mo7O24-4 + 4H2O
- log_k 64.159
- delta_h -215 kJ
- -gamma 0 0
- # Id: 3304805
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.10 25.0
-7MoO4-2 + 11H+ = H3Mo7O24-3 + 4H2O
- log_k 67.405
- delta_h -217 kJ
- -gamma 0 0
- # Id: 3304806
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 1.00 25.0
-6MoO4-2 + Al+3 + 6H+ = AlMo6O21-3 + 3H2O
- log_k 54.9925
- delta_h 0 kJ
- -gamma 0 0
- # Id: 304801
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.50 25.0
-MoO4-2 + 2Ag+ = Ag2MoO4
- log_k -0.4219
- delta_h -1.18 kJ
- -gamma 0 0
- # Id: 204801
- # log K source: Bard85
- # Delta H source: Bard85
- #T and ionic strength:
-VO2+ + 2H2O = VO4-3 + 4H+
- log_k -30.2
- delta_h -25 kJ
- -gamma 0 0
- # Id: 9033303
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-VO2+ + 2H2O = HVO4-2 + 3H+
- log_k -15.9
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9033302
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-VO2+ + 2H2O = H2VO4- + 2H+
- log_k -7.3
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9033301
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-VO2+ + 2H2O = H3VO4 + H+
- log_k -3.3
- delta_h 44.4759 kJ
- -gamma 0 0
- # Id: 9033300
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-2VO2+ + 3H2O = V2O7-4 + 6H+
- log_k -31.24
- delta_h -28 kJ
- -gamma 0 0
- # Id: 9030020
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-2VO2+ + 3H2O = HV2O7-3 + 5H+
- log_k -20.67
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9030021
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-2VO2+ + 3H2O = H3V2O7- + 3H+
- log_k -3.79
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9030022
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-3VO2+ + 3H2O = V3O9-3 + 6H+
- log_k -15.88
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9030023
- # log K source: MTQ3.11
- # Delta H source: MTQ3.11
- #T and ionic strength:
-4VO2+ + 4H2O = V4O12-4 + 8H+
- log_k -20.56
- delta_h -87 kJ
- -gamma 0 0
- # Id: 9030024
- # log K source: NIST46.3
- # Delta H source: NIST46.3
- #T and ionic strength: 0.00 25.0
-10VO2+ + 8H2O = V10O28-6 + 16H+
- log_k -24.0943
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9030025
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.10 20.0
-10VO2+ + 8H2O = HV10O28-5 + 15H+
- log_k -15.9076
- delta_h 90.0397 kJ
- -gamma 0 0
- # Id: 9030026
- # log K source: NIST46.4
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.10 20.0
-10VO2+ + 8H2O = H2V10O28-4 + 14H+
- log_k -10.7
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9030027
- # log K source: NIST46.3
- # Delta H source: MTQ3.11
- #T and ionic strength: 0.00 25.0
-Benzoate- + H+ = H(Benzoate)
- log_k 4.202
- delta_h -0.4602 kJ
- -gamma 0 0
- # Id: 3309171
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Benzoate- + Pb+2 = Pb(Benzoate)+
- log_k 2.4
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6009171
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Benzoate- + Al+3 = Al(Benzoate)+2
- log_k 2.05
- delta_h 0 kJ
- -gamma 0 0
- # Id: 309171
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Benzoate- + Al+3 + H2O = AlOH(Benzoate)+ + H+
- log_k -0.56
- delta_h 0 kJ
- -gamma 0 0
- # Id: 309172
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Benzoate- + Zn+2 = Zn(Benzoate)+
- log_k 1.7
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509171
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Benzoate- + Cd+2 = Cd(Benzoate)+
- log_k 1.8
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609171
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-2Benzoate- + Cd+2 = Cd(Benzoate)2
- log_k 1.82
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609172
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Benzoate- + Cu+2 = Cu(Benzoate)+
- log_k 2.19
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319171
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Benzoate- + Ag+ = Ag(Benzoate)
- log_k 0.91
- delta_h 0 kJ
- -gamma 0 0
- # Id: 209171
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Benzoate- + Ni+2 = Ni(Benzoate)+
- log_k 1.86
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409171
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Co+2 + Benzoate- = Co(Benzoate)+
- log_k 1.0537
- delta_h 12 kJ
- -gamma 0 0
- # Id: 2009171
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.50 30.0
-Benzoate- + Mn+2 = Mn(Benzoate)+
- log_k 2.06
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4709171
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Benzoate- + Mg+2 = Mg(Benzoate)+
- log_k 1.26
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4609171
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Benzoate- + Ca+2 = Ca(Benzoate)+
- log_k 1.55
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1509171
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Phenylacetate- + H+ = H(Phenylacetate)
- log_k 4.31
- delta_h 2.1757 kJ
- -gamma 0 0
- # Id: 3309181
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Phenylacetate- + Zn+2 = Zn(Phenylacetate)+
- log_k 1.57
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509181
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Phenylacetate- + Cu+2 = Cu(Phenylacetate)+
- log_k 1.97
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319181
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Co+2 + Phenylacetate- = Co(Phenylacetate)+
- log_k 0.591
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2009181
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 2.00 25.0
-Co+2 + 2Phenylacetate- = Co(Phenylacetate)2
- log_k 0.4765
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2009182
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 2.00 25.0
-Isophthalate-2 + H+ = H(Isophthalate)-
- log_k 4.5
- delta_h 1.6736 kJ
- -gamma 0 0
- # Id: 3309201
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Isophthalate-2 + 2H+ = H2(Isophthalate)
- log_k 8
- delta_h 1.6736 kJ
- -gamma 0 0
- # Id: 3309202
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Isophthalate-2 + Pb+2 = Pb(Isophthalate)
- log_k 2.99
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6009201
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-2Isophthalate-2 + Pb+2 = Pb(Isophthalate)2-2
- log_k 4.18
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6009202
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Isophthalate-2 + Pb+2 + H+ = PbH(Isophthalate)+
- log_k 6.69
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6009203
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Isophthalate-2 + Cd+2 = Cd(Isophthalate)
- log_k 2.15
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609201
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-2Isophthalate-2 + Cd+2 = Cd(Isophthalate)2-2
- log_k 2.99
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609202
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Isophthalate-2 + Cd+2 + H+ = CdH(Isophthalate)+
- log_k 5.73
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609203
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Isophthalate-2 + Ca+2 = Ca(Isophthalate)
- log_k 2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1509200
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Isophthalate-2 + Ba+2 = Ba(Isophthalate)
- log_k 1.55
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1009201
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-H+ + Diethylamine = H(Diethylamine)+
- log_k 10.933
- delta_h -53.1368 kJ
- -gamma 0 0
- # Id: 3309551
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + Diethylamine = Zn(Diethylamine)+2
- log_k 2.74
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509551
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Zn+2 + 2Diethylamine = Zn(Diethylamine)2+2
- log_k 5.27
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509552
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Zn+2 + 3Diethylamine = Zn(Diethylamine)3+2
- log_k 7.71
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509553
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Zn+2 + 4Diethylamine = Zn(Diethylamine)4+2
- log_k 9.84
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509554
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cd+2 + Diethylamine = Cd(Diethylamine)+2
- log_k 2.73
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609551
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cd+2 + 2Diethylamine = Cd(Diethylamine)2+2
- log_k 4.86
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609552
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cd+2 + 3Diethylamine = Cd(Diethylamine)3+2
- log_k 6.37
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609553
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cd+2 + 4Diethylamine = Cd(Diethylamine)4+2
- log_k 7.32
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609554
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Ag+ + Diethylamine = Ag(Diethylamine)+
- log_k 2.98
- delta_h 0 kJ
- -gamma 0 0
- # Id: 209551
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + 2Diethylamine = Ag(Diethylamine)2+
- log_k 6.38
- delta_h -44.7688 kJ
- -gamma 0 0
- # Id: 209552
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + Diethylamine = Ni(Diethylamine)+2
- log_k 2.78
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409551
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Ni+2 + 2Diethylamine = Ni(Diethylamine)2+2
- log_k 4.97
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409552
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Ni+2 + 3Diethylamine = Ni(Diethylamine)3+2
- log_k 6.72
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409553
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Ni+2 + 4Diethylamine = Ni(Diethylamine)4+2
- log_k 7.93
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409554
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Ni+2 + 5Diethylamine = Ni(Diethylamine)5+2
- log_k 8.87
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409555
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-H+ + Butylamine = H(Butylamine)+
- log_k 10.64
- delta_h -58.2831 kJ
- -gamma 0 0
- # Id: 3309561
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Hg(OH)2 + Butylamine + 2H+ = Hg(Butylamine)+2 + 2H2O
- log_k 14.84
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3619561
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Hg(OH)2 + 2Butylamine + 2H+ = Hg(Butylamine)2+2 + 2H2O
- log_k 24.24
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3619562
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Hg(OH)2 + 3Butylamine + 2H+ = Hg(Butylamine)3+2 + 2H2O
- log_k 25.1
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3619563
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Hg(OH)2 + 4Butylamine + 2H+ = Hg(Butylamine)4+2 + 2H2O
- log_k 26.1
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3619564
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + Butylamine = Ag(Butylamine)+
- log_k 3.42
- delta_h -16.736 kJ
- -gamma 0 0
- # Id: 209561
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + 2Butylamine = Ag(Butylamine)2+
- log_k 7.47
- delta_h -52.7184 kJ
- -gamma 0 0
- # Id: 209562
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-H+ + Methylamine = H(Methylamine)+
- log_k 10.64
- delta_h -55.2288 kJ
- -gamma 0 0
- # Id: 3309581
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + Methylamine = Cd(Methylamine)+2
- log_k 2.75
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609581
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + 2Methylamine = Cd(Methylamine)2+2
- log_k 4.81
- delta_h -29.288 kJ
- -gamma 0 0
- # Id: 1609582
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + 3Methylamine = Cd(Methylamine)3+2
- log_k 5.94
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609583
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + 4Methylamine = Cd(Methylamine)4+2
- log_k 6.55
- delta_h -58.576 kJ
- -gamma 0 0
- # Id: 1609584
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Hg(OH)2 + Methylamine + 2H+ = Hg(Methylamine)+2 + 2H2O
- log_k 14.76
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3619581
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Hg(OH)2 + 2Methylamine + 2H+ = Hg(Methylamine)2+2 + 2H2O
- log_k 23.96
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3619582
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Hg(OH)2 + 3Methylamine + 2H+ = Hg(Methylamine)3+2 + 2H2O
- log_k 24.3
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3619583
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Hg(OH)2 + 4Methylamine + 2H+ = Hg(Methylamine)4+2 + 2H2O
- log_k 24.6
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3619584
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + Methylamine = Cu(Methylamine)+2
- log_k 4.11
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319581
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + 2Methylamine = Cu(Methylamine)2+2
- log_k 7.51
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319582
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + 3Methylamine = Cu(Methylamine)3+2
- log_k 10.21
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319583
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + 4Methylamine = Cu(Methylamine)4+2
- log_k 12.08
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319584
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + Methylamine = Ag(Methylamine)+
- log_k 3.07
- delta_h -12.552 kJ
- -gamma 0 0
- # Id: 209581
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + 2Methylamine = Ag(Methylamine)2+
- log_k 6.89
- delta_h -48.9528 kJ
- -gamma 0 0
- # Id: 209582
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + Methylamine = Ni(Methylamine)+2
- log_k 2.23
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409581
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-H+ + Dimethylamine = H(Dimethylamine)+
- log_k 10.774
- delta_h -50.208 kJ
- -gamma 0 0
- # Id: 3309591
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + 2Dimethylamine = Ag(Dimethylamine)2+
- log_k 5.37
- delta_h -40.5848 kJ
- -gamma 0 0
- # Id: 209591
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + Dimethylamine = Ni(Dimethylamine)+2
- log_k 1.47
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409591
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-H+ + Hexylamine = H(Hexylamine)+
- log_k 10.63
- delta_h -58.576 kJ
- -gamma 0 0
- # Id: 3309611
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + Hexylamine = Ag(Hexylamine)+
- log_k 3.54
- delta_h -25.104 kJ
- -gamma 0 0
- # Id: 209611
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + 2Hexylamine = Ag(Hexylamine)2+
- log_k 7.55
- delta_h -53.1368 kJ
- -gamma 0 0
- # Id: 209612
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-H+ + Ethylenediamine = H(Ethylenediamine)+
- log_k 9.928
- delta_h -49.7896 kJ
- -gamma 0 0
- # Id: 3309631
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-2H+ + Ethylenediamine = H2(Ethylenediamine)+2
- log_k 16.776
- delta_h -95.3952 kJ
- -gamma 0 0
- # Id: 3309632
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Pb+2 + Ethylenediamine = Pb(Ethylenediamine)+2
- log_k 5.04
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6009631
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Pb+2 + 2Ethylenediamine = Pb(Ethylenediamine)2+2
- log_k 8.5
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6009632
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + Ethylenediamine = Zn(Ethylenediamine)+2
- log_k 5.66
- delta_h -29.288 kJ
- -gamma 0 0
- # Id: 9509631
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + 2Ethylenediamine = Zn(Ethylenediamine)2+2
- log_k 10.6
- delta_h -48.116 kJ
- -gamma 0 0
- # Id: 9509632
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + 3Ethylenediamine = Zn(Ethylenediamine)3+2
- log_k 13.9
- delta_h -71.5464 kJ
- -gamma 0 0
- # Id: 9509633
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + Ethylenediamine = Cd(Ethylenediamine)+2
- log_k 5.41
- delta_h -28.4512 kJ
- -gamma 0 0
- # Id: 1609631
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + 2Ethylenediamine = Cd(Ethylenediamine)2+2
- log_k 9.9
- delta_h -55.6472 kJ
- -gamma 0 0
- # Id: 1609632
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + 3Ethylenediamine = Cd(Ethylenediamine)3+2
- log_k 11.6
- delta_h -82.4248 kJ
- -gamma 0 0
- # Id: 1609633
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Hg(OH)2 + Ethylenediamine + 2H+ = Hg(Ethylenediamine)+2 + 2H2O
- log_k 20.4
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3619631
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Hg(OH)2 + 2Ethylenediamine + 2H+ = Hg(Ethylenediamine)2+2 + 2H2O
- log_k 29.3
- delta_h -173.218 kJ
- -gamma 0 0
- # Id: 3619632
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Hg(OH)2 + 2Ethylenediamine + 3H+ = HgH(Ethylenediamine)2+3 + 2H2O
- log_k 34.7
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3619633
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+ + 2Ethylenediamine = Cu(Ethylenediamine)2+
- log_k 11.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2309631
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + Ethylenediamine = Cu(Ethylenediamine)+2
- log_k 10.5
- delta_h -52.7184 kJ
- -gamma 0 0
- # Id: 2319631
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + 2Ethylenediamine = Cu(Ethylenediamine)2+2
- log_k 19.6
- delta_h -105.437 kJ
- -gamma 0 0
- # Id: 2319632
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + Ethylenediamine = Ag(Ethylenediamine)+
- log_k 4.6
- delta_h -48.9528 kJ
- -gamma 0 0
- # Id: 209631
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + 2Ethylenediamine = Ag(Ethylenediamine)2+
- log_k 7.5
- delta_h -52.3 kJ
- -gamma 0 0
- # Id: 209632
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + Ethylenediamine + H+ = AgH(Ethylenediamine)+2
- log_k 11.99
- delta_h -75.312 kJ
- -gamma 0 0
- # Id: 209633
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-2Ag+ + Ethylenediamine = Ag2(Ethylenediamine)+2
- log_k 6.5
- delta_h 0 kJ
- -gamma 0 0
- # Id: 209634
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-2Ag+ + 2Ethylenediamine = Ag2(Ethylenediamine)2+2
- log_k 12.7
- delta_h -97.0688 kJ
- -gamma 0 0
- # Id: 209635
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + 2Ethylenediamine + 2H+ = Ag(HEthylenediamine)2+3
- log_k 24
- delta_h -150.206 kJ
- -gamma 0 0
- # Id: 209636
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + 2Ethylenediamine + H+ = AgH(Ethylenediamine)2+2
- log_k 8.4
- delta_h -47.6976 kJ
- -gamma 0 0
- # Id: 209637
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + Ethylenediamine = Ni(Ethylenediamine)+2
- log_k 7.32
- delta_h -37.656 kJ
- -gamma 0 0
- # Id: 5409631
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + 2Ethylenediamine = Ni(Ethylenediamine)2+2
- log_k 13.5
- delta_h -76.5672 kJ
- -gamma 0 0
- # Id: 5409632
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + 3Ethylenediamine = Ni(Ethylenediamine)3+2
- log_k 17.6
- delta_h -117.152 kJ
- -gamma 0 0
- # Id: 5409633
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Co+2 + Ethylenediamine = Co(Ethylenediamine)+2
- log_k 5.5
- delta_h -28 kJ
- -gamma 0 0
- # Id: 2009631
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.10 25.0
-Co+2 + 2Ethylenediamine = Co(Ethylenediamine)2+2
- log_k 10.1
- delta_h -58.5 kJ
- -gamma 0 0
- # Id: 2009632
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.10 25.0
-Co+2 + 3Ethylenediamine = Co(Ethylenediamine)3+2
- log_k 13.2
- delta_h -92.8 kJ
- -gamma 0 0
- # Id: 2009633
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.10 25.0
-Co+3 + 2Ethylenediamine = Co(Ethylenediamine)2+3
- log_k 34.7
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2019631
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 1.00 25.0
-Co+3 + 3Ethylenediamine = Co(Ethylenediamine)3+3
- log_k 48.69
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2019632
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 1.50 30.0
-Fe+2 + Ethylenediamine = Fe(Ethylenediamine)+2
- log_k 4.26
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2809631
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Fe+2 + 2Ethylenediamine = Fe(Ethylenediamine)2+2
- log_k 7.73
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2809632
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Fe+2 + 3Ethylenediamine = Fe(Ethylenediamine)3+2
- log_k 10.17
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2809633
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Mn+2 + Ethylenediamine = Mn(Ethylenediamine)+2
- log_k 2.74
- delta_h -11.7152 kJ
- -gamma 0 0
- # Id: 4709631
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Mn+2 + 2Ethylenediamine = Mn(Ethylenediamine)2+2
- log_k 4.8
- delta_h -25.104 kJ
- -gamma 0 0
- # Id: 4709632
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cr(OH)2+ + 2Ethylenediamine + 2H+ = Cr(Ethylenediamine)2+3 + 2H2O
- log_k 22.57
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2119631
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cr(OH)2+ + 3Ethylenediamine + 2H+ = Cr(Ethylenediamine)3+3 + 2H2O
- log_k 29
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2119632
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Mg+2 + Ethylenediamine = Mg(Ethylenediamine)+2
- log_k 0.37
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4609631
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ca+2 + Ethylenediamine = Ca(Ethylenediamine)+2
- log_k 0.11
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1509631
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-H+ + Propylamine = H(Propylamine)+
- log_k 10.566
- delta_h -57.53 kJ
- -gamma 0 0
- # Id: 3309641
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + Propylamine = Zn(Propylamine)+2
- log_k 2.42
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509641
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Zn+2 + 2Propylamine = Zn(Propylamine)2+2
- log_k 4.85
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509642
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Zn+2 + 3Propylamine = Zn(Propylamine)3+2
- log_k 7.38
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509643
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Zn+2 + 4Propylamine = Zn(Propylamine)4+2
- log_k 9.49
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509644
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cd+2 + Propylamine = Cd(Propylamine)+2
- log_k 2.62
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609641
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cd+2 + 2Propylamine = Cd(Propylamine)2+2
- log_k 4.64
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609642
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cd+2 + 3Propylamine = Cd(Propylamine)3+2
- log_k 6.03
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609643
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Ag+ + Propylamine = Ag(Propylamine)+
- log_k 3.45
- delta_h -12.552 kJ
- -gamma 0 0
- # Id: 209641
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + 2Propylamine = Ag(Propylamine)2+
- log_k 7.44
- delta_h -53.1368 kJ
- -gamma 0 0
- # Id: 209642
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + Propylamine = Ni(Propylamine)+2
- log_k 2.81
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409641
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Ni+2 + 2Propylamine = Ni(Propylamine)2+2
- log_k 5.02
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409642
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Ni+2 + 3Propylamine = Ni(Propylamine)3+2
- log_k 6.79
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409643
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Ni+2 + 4Propylamine = Ni(Propylamine)4+2
- log_k 8.31
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409644
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-H+ + Isopropylamine = H(Isopropylamine)+
- log_k 10.67
- delta_h -58.3668 kJ
- -gamma 0 0
- # Id: 3309651
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + Isopropylamine = Zn(Isopropylamine)+2
- log_k 2.37
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509651
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Zn+2 + 2Isopropylamine = Zn(Isopropylamine)2+2
- log_k 4.67
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509652
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Zn+2 + 3Isopropylamine = Zn(Isopropylamine)3+2
- log_k 7.14
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509653
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Zn+2 + 4Isopropylamine = Zn(Isopropylamine)4+2
- log_k 9.44
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509654
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cd+2 + Isopropylamine = Cd(Isopropylamine)+2
- log_k 2.55
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609651
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cd+2 + 2Isopropylamine = Cd(Isopropylamine)2+2
- log_k 4.57
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609652
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cd+2 + 3Isopropylamine = Cd(Isopropylamine)3+2
- log_k 6.07
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609653
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cd+2 + 4Isopropylamine = Cd(Isopropylamine)4+2
- log_k 6.9
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609654
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Hg(OH)2 + Isopropylamine + 2H+ = Hg(Isopropylamine)+2 + 2H2O
- log_k 14.85
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3619651
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Hg(OH)2 + 2Isopropylamine + 2H+ = Hg(Isopropylamine)2+2 + 2H2O
- log_k 24.37
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3619652
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + Isopropylamine = Ag(Isopropylamine)+
- log_k 3.67
- delta_h -23.8488 kJ
- -gamma 0 0
- # Id: 209651
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + 2Isopropylamine = Ag(Isopropylamine)2+
- log_k 7.77
- delta_h -59.8312 kJ
- -gamma 0 0
- # Id: 209652
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + Isopropylamine = Ni(Isopropylamine)+2
- log_k 2.71
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409651
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Ni+2 + 2Isopropylamine = Ni(Isopropylamine)2+2
- log_k 4.86
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409652
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Ni+2 + 3Isopropylamine = Ni(Isopropylamine)3+2
- log_k 6.57
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409653
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Ni+2 + 4Isopropylamine = Ni(Isopropylamine)4+2
- log_k 7.83
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409654
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Ni+2 + 5Isopropylamine = Ni(Isopropylamine)5+2
- log_k 8.43
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409655
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-H+ + Trimethylamine = H(Trimethylamine)+
- log_k 9.8
- delta_h -36.8192 kJ
- -gamma 0 0
- # Id: 3309661
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + Trimethylamine = Ag(Trimethylamine)+
- log_k 1.701
- delta_h 0 kJ
- -gamma 0 0
- # Id: 209661
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-H+ + Citrate-3 = H(Citrate)-2
- log_k 6.396
- delta_h 3.3472 kJ
- -gamma 0 0
- # Id: 3309671
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-2H+ + Citrate-3 = H2(Citrate)-
- log_k 11.157
- delta_h 1.297 kJ
- -gamma 0 0
- # Id: 3309672
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-3H+ + Citrate-3 = H3(Citrate)
- log_k 14.285
- delta_h -2.7614 kJ
- -gamma 0 0
- # Id: 3309673
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Pb+2 + Citrate-3 = Pb(Citrate)-
- log_k 7.27
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6009671
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Pb+2 + 2Citrate-3 = Pb(Citrate)2-4
- log_k 6.53
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6009672
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Al+3 + Citrate-3 = Al(Citrate)
- log_k 9.97
- delta_h 0 kJ
- -gamma 0 0
- # Id: 309671
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Al+3 + 2Citrate-3 = Al(Citrate)2-3
- log_k 14.8
- delta_h 0 kJ
- -gamma 0 0
- # Id: 309672
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Al+3 + Citrate-3 + H+ = AlH(Citrate)+
- log_k 12.85
- delta_h 0 kJ
- -gamma 0 0
- # Id: 309673
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Tl+ + Citrate-3 = Tl(Citrate)-2
- log_k 1.48
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8709671
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + Citrate-3 = Zn(Citrate)-
- log_k 6.21
- delta_h 8.368 kJ
- -gamma 0 0
- # Id: 9509671
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + 2Citrate-3 = Zn(Citrate)2-4
- log_k 7.4
- delta_h 25.104 kJ
- -gamma 0 0
- # Id: 9509672
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + Citrate-3 + H+ = ZnH(Citrate)
- log_k 10.2
- delta_h 3.3472 kJ
- -gamma 0 0
- # Id: 9509673
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + Citrate-3 + 2H+ = ZnH2(Citrate)+
- log_k 12.84
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509674
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cd+2 + Citrate-3 = Cd(Citrate)-
- log_k 4.98
- delta_h 8.368 kJ
- -gamma 0 0
- # Id: 1609671
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + Citrate-3 + H+ = CdH(Citrate)
- log_k 9.44
- delta_h 3.3472 kJ
- -gamma 0 0
- # Id: 1609672
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + Citrate-3 + 2H+ = CdH2(Citrate)+
- log_k 12.9
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609673
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + 2Citrate-3 = Cd(Citrate)2-4
- log_k 5.9
- delta_h 20.92 kJ
- -gamma 0 0
- # Id: 1609674
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Hg(OH)2 + Citrate-3 + 2H+ = Hg(Citrate)- + 2H2O
- log_k 18.3
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3619671
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + Citrate-3 = Cu(Citrate)-
- log_k 7.57
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319671
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cu+2 + 2Citrate-3 = Cu(Citrate)2-4
- log_k 8.9
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319672
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cu+2 + Citrate-3 + H+ = CuH(Citrate)
- log_k 10.87
- delta_h 11.7152 kJ
- -gamma 0 0
- # Id: 2319673
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + Citrate-3 + 2H+ = CuH2(Citrate)+
- log_k 13.23
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319674
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-2Cu+2 + 2Citrate-3 = Cu2(Citrate)2-2
- log_k 16.9
- delta_h 41.84 kJ
- -gamma 0 0
- # Id: 2319675
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + Citrate-3 = Ni(Citrate)-
- log_k 6.59
- delta_h 16.736 kJ
- -gamma 0 0
- # Id: 5409671
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + Citrate-3 + H+ = NiH(Citrate)
- log_k 10.5
- delta_h 15.8992 kJ
- -gamma 0 0
- # Id: 5409672
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + Citrate-3 + 2H+ = NiH2(Citrate)+
- log_k 13.3
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409673
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + 2Citrate-3 = Ni(Citrate)2-4
- log_k 8.77
- delta_h 12.552 kJ
- -gamma 0 0
- # Id: 5409674
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + 2Citrate-3 + H+ = NiH(Citrate)2-3
- log_k 14.9
- delta_h 32.6352 kJ
- -gamma 0 0
- # Id: 5409675
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Co+2 + Citrate-3 = Co(Citrate)-
- log_k 6.1867
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2009671
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 25.0
-Co+2 + H+ + Citrate-3 = CoHCitrate
- log_k 10.4438
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2009672
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 25.0
-Co+2 + 2H+ + Citrate-3 = CoH2Citrate+
- log_k 12.7859
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2009673
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 20.0
-Fe+2 + Citrate-3 = Fe(Citrate)-
- log_k 6.1
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2809671
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Fe+2 + Citrate-3 + H+ = FeH(Citrate)
- log_k 10.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2809672
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Fe+3 + Citrate-3 = Fe(Citrate)
- log_k 13.1
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2819671
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Fe+3 + Citrate-3 + H+ = FeH(Citrate)+
- log_k 14.4
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2819672
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Mn+2 + Citrate-3 = Mn(Citrate)-
- log_k 4.28
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4709671
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Mn+2 + Citrate-3 + H+ = MnH(Citrate)
- log_k 9.6
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4709672
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Be+2 + Citrate-3 = Be(Citrate)-
- log_k 5.534
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1109671
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 1.00 25.0
-Be+2 + H+ + Citrate-3 = BeH(Citrate)
- log_k 9.442
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1109672
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 1.00 25.0
-Ca+2 + Citrate-3 = Ca(Citrate)-
- log_k 4.87
- delta_h -8.368 kJ
- -gamma 0 0
- # Id: 1509671
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ca+2 + Citrate-3 + H+ = CaH(Citrate)
- log_k 9.26
- delta_h -0.8368 kJ
- -gamma 0 0
- # Id: 1509672
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ca+2 + Citrate-3 + 2H+ = CaH2(Citrate)+
- log_k 12.257
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1509673
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Mg+2 + Citrate-3 = Mg(Citrate)-
- log_k 4.89
- delta_h 8.368 kJ
- -gamma 0 0
- # Id: 4609671
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Mg+2 + Citrate-3 + H+ = MgH(Citrate)
- log_k 8.91
- delta_h 3.3472 kJ
- -gamma 0 0
- # Id: 4609672
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Mg+2 + Citrate-3 + 2H+ = MgH2(Citrate)+
- log_k 12.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4609673
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Sr+2 + Citrate-3 = Sr(Citrate)-
- log_k 4.3367
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8009671
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 25.0
-Sr+2 + H+ + Citrate-3 = SrH(Citrate)
- log_k 8.9738
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8009672
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 25.0
-Sr+2 + 2H+ + Citrate-3 = SrH2(Citrate)+
- log_k 12.4859
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8009673
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 25.0
-Ba+2 + Citrate-3 = Ba(Citrate)-
- log_k 4.1
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1009671
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ba+2 + Citrate-3 + H+ = BaH(Citrate)
- log_k 8.74
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1009672
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ba+2 + Citrate-3 + 2H+ = BaH2(Citrate)+
- log_k 12.3
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1009673
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Na+ + Citrate-3 = Na(Citrate)-2
- log_k 1.03
- delta_h -2.8033 kJ
- -gamma 0 0
- # Id: 5009671
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-2Na+ + Citrate-3 = Na2(Citrate)-
- log_k 1.5
- delta_h -5.1045 kJ
- -gamma 0 0
- # Id: 5009672
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Na+ + Citrate-3 + H+ = NaH(Citrate)-
- log_k 6.45
- delta_h -3.5982 kJ
- -gamma 0 0
- # Id: 5009673
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-K+ + Citrate-3 = K(Citrate)-2
- log_k 1.1
- delta_h 5.4392 kJ
- -gamma 0 0
- # Id: 4109671
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-H+ + Nta-3 = H(Nta)-2
- log_k 10.278
- delta_h -18.828 kJ
- -gamma 0 0
- # Id: 3309681
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-2H+ + Nta-3 = H2(Nta)-
- log_k 13.22
- delta_h -17.9912 kJ
- -gamma 0 0
- # Id: 3309682
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-3H+ + Nta-3 = H3(Nta)
- log_k 15.22
- delta_h -16.3176 kJ
- -gamma 0 0
- # Id: 3309683
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-4H+ + Nta-3 = H4(Nta)+
- log_k 16.22
- delta_h -16.3176 kJ
- -gamma 0 0
- # Id: 3309684
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Pb+2 + Nta-3 = Pb(Nta)-
- log_k 12.7
- delta_h -15.8992 kJ
- -gamma 0 0
- # Id: 6009681
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Pb+2 + Nta-3 + H+ = PbH(Nta)
- log_k 15.3
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6009682
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Al+3 + Nta-3 = Al(Nta)
- log_k 13.3
- delta_h 0 kJ
- -gamma 0 0
- # Id: 309681
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Al+3 + Nta-3 + H+ = AlH(Nta)+
- log_k 15.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 309682
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Al+3 + Nta-3 + H2O = AlOH(Nta)- + H+
- log_k 8
- delta_h 0 kJ
- -gamma 0 0
- # Id: 309683
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Tl+ + Nta-3 = Tl(Nta)-2
- log_k 5.39
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8709681
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + Nta-3 = Zn(Nta)-
- log_k 11.95
- delta_h -3.7656 kJ
- -gamma 0 0
- # Id: 9509681
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + 2Nta-3 = Zn(Nta)2-4
- log_k 14.88
- delta_h -15.0624 kJ
- -gamma 0 0
- # Id: 9509682
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + Nta-3 + H2O = ZnOH(Nta)-2 + H+
- log_k 1.46
- delta_h 46.4424 kJ
- -gamma 0 0
- # Id: 9509683
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + Nta-3 = Cd(Nta)-
- log_k 11.07
- delta_h -16.736 kJ
- -gamma 0 0
- # Id: 1609681
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + 2Nta-3 = Cd(Nta)2-4
- log_k 15.03
- delta_h -38.0744 kJ
- -gamma 0 0
- # Id: 1609682
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + Nta-3 + H2O = CdOH(Nta)-2 + H+
- log_k -0.61
- delta_h 29.288 kJ
- -gamma 0 0
- # Id: 1609683
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Hg(OH)2 + Nta-3 + 2H+ = Hg(Nta)- + 2H2O
- log_k 21.7
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3619681
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + Nta-3 = Cu(Nta)-
- log_k 14.4
- delta_h -7.9496 kJ
- -gamma 0 0
- # Id: 2319681
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + 2Nta-3 = Cu(Nta)2-4
- log_k 18.1
- delta_h -37.2376 kJ
- -gamma 0 0
- # Id: 2319682
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + Nta-3 + H+ = CuH(Nta)
- log_k 16.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319683
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + Nta-3 + H2O = CuOH(Nta)-2 + H+
- log_k 4.8
- delta_h 25.5224 kJ
- -gamma 0 0
- # Id: 2319684
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + Nta-3 = Ag(Nta)-2
- log_k 6
- delta_h -26.3592 kJ
- -gamma 0 0
- # Id: 209681
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + Nta-3 = Ni(Nta)-
- log_k 12.79
- delta_h -10.0416 kJ
- -gamma 0 0
- # Id: 5409681
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + 2Nta-3 = Ni(Nta)2-4
- log_k 16.96
- delta_h -32.6352 kJ
- -gamma 0 0
- # Id: 5409682
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + Nta-3 + H2O = NiOH(Nta)-2 + H+
- log_k 1.5
- delta_h 15.0624 kJ
- -gamma 0 0
- # Id: 5409683
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Co+2 + Nta-3 = Co(Nta)-
- log_k 11.6667
- delta_h -0.4 kJ
- -gamma 0 0
- # Id: 2009681
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.10 25.0
-Co+2 + 2Nta-3 = Co(Nta)2-4
- log_k 14.9734
- delta_h -20 kJ
- -gamma 0 0
- # Id: 2009682
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.10 25.0
-Co+2 + Nta-3 + H2O = CoOH(Nta)-2 + H+
- log_k 0.4378
- delta_h 45.6 kJ
- -gamma 0 0
- # Id: 2009683
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.10 25.0
-Fe+2 + Nta-3 = Fe(Nta)-
- log_k 10.19
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2809681
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Fe+2 + 2Nta-3 = Fe(Nta)2-4
- log_k 12.62
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2809682
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Fe+2 + Nta-3 + H+ = FeH(Nta)
- log_k 12.29
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2809683
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Fe+2 + Nta-3 + H2O = FeOH(Nta)-2 + H+
- log_k -1.06
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2809684
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Fe+3 + Nta-3 = Fe(Nta)
- log_k 17.8
- delta_h 13.3888 kJ
- -gamma 0 0
- # Id: 2819681
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Fe+3 + 2Nta-3 = Fe(Nta)2-3
- log_k 25.9
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2819682
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Fe+3 + Nta-3 + H2O = FeOH(Nta)- + H+
- log_k 13.23
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2819683
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Mn+2 + Nta-3 = Mn(Nta)-
- log_k 8.573
- delta_h 5.8576 kJ
- -gamma 0 0
- # Id: 4709681
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Mn+2 + 2Nta-3 = Mn(Nta)2-4
- log_k 11.58
- delta_h -17.1544 kJ
- -gamma 0 0
- # Id: 4709682
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cr(OH)2+ + Nta-3 + 2H+ = Cr(Nta) + 2H2O
- log_k 21.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2119681
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cr(OH)2+ + 2Nta-3 + 2H+ = Cr(Nta)2-3 + 2H2O
- log_k 29.5
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2119682
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-MoO4-2 + 2H+ + Nta-3 = MoO3(Nta)-3 + H2O
- log_k 19.5434
- delta_h -69 kJ
- -gamma 0 0
- # Id: 4809681
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.10 25.0
-MoO4-2 + 3H+ + Nta-3 = MoO3H(Nta)-2 + H2O
- log_k 23.3954
- delta_h -71 kJ
- -gamma 0 0
- # Id: 4809682
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 1.00 25.0
-MoO4-2 + 4H+ + Nta-3 = MoO3H2(Nta)- + H2O
- log_k 25.3534
- delta_h -71 kJ
- -gamma 0 0
- # Id: 4809683
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 1.00 25.0
-Be+2 + Nta-3 = Be(Nta)-
- log_k 9.0767
- delta_h 25 kJ
- -gamma 0 0
- # Id: 1109681
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.10 25.0
-Mg+2 + Nta-3 = Mg(Nta)-
- log_k 6.5
- delta_h 17.9912 kJ
- -gamma 0 0
- # Id: 4609681
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ca+2 + Nta-3 = Ca(Nta)-
- log_k 7.608
- delta_h -5.6902 kJ
- -gamma 0 0
- # Id: 1509681
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ca+2 + 2Nta-3 = Ca(Nta)2-4
- log_k 8.81
- delta_h -32.6352 kJ
- -gamma 0 0
- # Id: 1509682
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Sr+2 + Nta-3 = Sr(Nta)-
- log_k 6.2767
- delta_h -2.2 kJ
- -gamma 0 0
- # Id: 8009681
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.10 25.0
-Ba+2 + Nta-3 = Ba(Nta)-
- log_k 5.875
- delta_h -6.025 kJ
- -gamma 0 0
- # Id: 1009681
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-H+ + Edta-4 = H(Edta)-3
- log_k 10.948
- delta_h -23.4304 kJ
- -gamma 0 0
- # Id: 3309691
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-2H+ + Edta-4 = H2(Edta)-2
- log_k 17.221
- delta_h -41.0032 kJ
- -gamma 0 0
- # Id: 3309692
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-3H+ + Edta-4 = H3(Edta)-
- log_k 20.34
- delta_h -35.564 kJ
- -gamma 0 0
- # Id: 3309693
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-4H+ + Edta-4 = H4(Edta)
- log_k 22.5
- delta_h -34.3088 kJ
- -gamma 0 0
- # Id: 3309694
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-5H+ + Edta-4 = H5(Edta)+
- log_k 24
- delta_h -32.2168 kJ
- -gamma 0 0
- # Id: 3309695
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Sn(OH)2 + 2H+ + Edta-4 = Sn(Edta)-2 + 2H2O
- log_k 27.026
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7909691
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 1.00 20.0
-Sn(OH)2 + 3H+ + Edta-4 = SnH(Edta)- + 2H2O
- log_k 29.934
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7909692
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 1.00 20.0
-Sn(OH)2 + 4H+ + Edta-4 = SnH2(Edta) + 2H2O
- log_k 31.638
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7909693
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 1.00 20.0
-Pb+2 + Edta-4 = Pb(Edta)-2
- log_k 19.8
- delta_h -54.8104 kJ
- -gamma 0 0
- # Id: 6009691
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Pb+2 + Edta-4 + H+ = PbH(Edta)-
- log_k 23
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6009692
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Pb+2 + Edta-4 + 2H+ = PbH2(Edta)
- log_k 24.9
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6009693
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Al+3 + Edta-4 = Al(Edta)-
- log_k 19.1
- delta_h 52.7184 kJ
- -gamma 0 0
- # Id: 309690
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Al+3 + Edta-4 + H+ = AlH(Edta)
- log_k 21.8
- delta_h 36.4008 kJ
- -gamma 0 0
- # Id: 309691
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Al+3 + Edta-4 + H2O = AlOH(Edta)-2 + H+
- log_k 12.8
- delta_h 73.6384 kJ
- -gamma 0 0
- # Id: 309692
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Tl+ + Edta-4 = Tl(Edta)-3
- log_k 7.27
- delta_h -43.5136 kJ
- -gamma 0 0
- # Id: 8709691
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Tl+ + Edta-4 + H+ = TlH(Edta)-2
- log_k 13.68
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8709692
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + Edta-4 = Zn(Edta)-2
- log_k 18
- delta_h -19.2464 kJ
- -gamma 0 0
- # Id: 9509691
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + Edta-4 + H+ = ZnH(Edta)-
- log_k 21.4
- delta_h -28.4512 kJ
- -gamma 0 0
- # Id: 9509692
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + Edta-4 + H2O = ZnOH(Edta)-3 + H+
- log_k 5.8
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509693
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + Edta-4 = Cd(Edta)-2
- log_k 18.2
- delta_h -38.0744 kJ
- -gamma 0 0
- # Id: 1609691
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + Edta-4 + H+ = CdH(Edta)-
- log_k 21.5
- delta_h -39.748 kJ
- -gamma 0 0
- # Id: 1609692
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Hg(OH)2 + Edta-4 + 2H+ = Hg(Edta)-2 + 2H2O
- log_k 29.3
- delta_h -125.102 kJ
- -gamma 0 0
- # Id: 3619691
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Hg(OH)2 + Edta-4 + 3H+ = HgH(Edta)- + 2H2O
- log_k 32.9
- delta_h -128.449 kJ
- -gamma 0 0
- # Id: 3619692
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + Edta-4 = Cu(Edta)-2
- log_k 20.5
- delta_h -34.7272 kJ
- -gamma 0 0
- # Id: 2319691
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + Edta-4 + H+ = CuH(Edta)-
- log_k 24
- delta_h -43.0952 kJ
- -gamma 0 0
- # Id: 2319692
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + Edta-4 + 2H+ = CuH2(Edta)
- log_k 26.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319693
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + Edta-4 + H2O = CuOH(Edta)-3 + H+
- log_k 8.5
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319694
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + Edta-4 = Ag(Edta)-3
- log_k 8.08
- delta_h -31.38 kJ
- -gamma 0 0
- # Id: 209691
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + Edta-4 + H+ = AgH(Edta)-2
- log_k 15.21
- delta_h 0 kJ
- -gamma 0 0
- # Id: 209693
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Ni+2 + Edta-4 = Ni(Edta)-2
- log_k 20.1
- delta_h -30.9616 kJ
- -gamma 0 0
- # Id: 5409691
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + Edta-4 + H+ = NiH(Edta)-
- log_k 23.6
- delta_h -38.4928 kJ
- -gamma 0 0
- # Id: 5409692
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + Edta-4 + H2O = NiOH(Edta)-3 + H+
- log_k 7.6
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409693
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Co+2 + Edta-4 = Co(Edta)-2
- log_k 18.1657
- delta_h -15 kJ
- -gamma 0 0
- # Id: 2009691
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.10 25.0
-Co+2 + Edta-4 + H+ = CoH(Edta)-
- log_k 21.5946
- delta_h -22.9 kJ
- -gamma 0 0
- # Id: 2009692
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.10 25.0
-Co+2 + Edta-4 + 2H+ = CoH2(Edta)
- log_k 23.4986
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2009693
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 1.00 25.0
-Co+3 + Edta-4 = Co(Edta)-
- log_k 43.9735
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2019691
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 25.0
-Co+3 + Edta-4 + H+ = CoH(Edta)
- log_k 47.168
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2019692
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 20.0
-Fe+2 + Edta-4 = Fe(Edta)-2
- log_k 16
- delta_h -16.736 kJ
- -gamma 0 0
- # Id: 2809690
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Fe+2 + Edta-4 + H+ = FeH(Edta)-
- log_k 19.06
- delta_h -27.6144 kJ
- -gamma 0 0
- # Id: 2809691
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Fe+2 + Edta-4 + H2O = FeOH(Edta)-3 + H+
- log_k 6.5
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2809692
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Fe+2 + Edta-4 + 2H2O = Fe(OH)2(Edta)-4 + 2H+
- log_k -4
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2809693
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Fe+3 + Edta-4 = Fe(Edta)-
- log_k 27.7
- delta_h -11.2968 kJ
- -gamma 0 0
- # Id: 2819690
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Fe+3 + Edta-4 + H+ = FeH(Edta)
- log_k 29.2
- delta_h -11.7152 kJ
- -gamma 0 0
- # Id: 2819691
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Fe+3 + Edta-4 + H2O = FeOH(Edta)-2 + H+
- log_k 19.9
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2819692
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Fe+3 + Edta-4 + 2H2O = Fe(OH)2(Edta)-3 + 2H+
- log_k 9.85
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2819693
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Mn+2 + Edta-4 = Mn(Edta)-2
- log_k 15.6
- delta_h -19.2464 kJ
- -gamma 0 0
- # Id: 4709691
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Mn+2 + Edta-4 + H+ = MnH(Edta)-
- log_k 19.1
- delta_h -24.2672 kJ
- -gamma 0 0
- # Id: 4709692
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cr+2 + Edta-4 = Cr(Edta)-2
- log_k 15.3
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2109691
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cr+2 + Edta-4 + H+ = CrH(Edta)-
- log_k 19.1
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2109692
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cr(OH)2+ + Edta-4 + 2H+ = Cr(Edta)- + 2H2O
- log_k 35.5
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2119691
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cr(OH)2+ + Edta-4 + 3H+ = CrH(Edta) + 2H2O
- log_k 37.4
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2119692
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cr(OH)2+ + Edta-4 + H+ = CrOH(Edta)-2 + H2O
- log_k 27.7
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2119693
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Be+2 + Edta-4 = Be(Edta)-2
- log_k 11.4157
- delta_h 41 kJ
- -gamma 0 0
- # Id: 1109691
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.10 25.0
-Mg+2 + Edta-4 = Mg(Edta)-2
- log_k 10.57
- delta_h 13.8072 kJ
- -gamma 0 0
- # Id: 4609690
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Mg+2 + Edta-4 + H+ = MgH(Edta)-
- log_k 14.97
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4609691
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ca+2 + Edta-4 = Ca(Edta)-2
- log_k 12.42
- delta_h -25.5224 kJ
- -gamma 0 0
- # Id: 1509690
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ca+2 + Edta-4 + H+ = CaH(Edta)-
- log_k 15.9
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1509691
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Sr+2 + Edta-4 = Sr(Edta)-2
- log_k 10.4357
- delta_h -17 kJ
- -gamma 0 0
- # Id: 8009691
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.10 25.0
-Sr+2 + Edta-4 + H+ = SrH(Edta)-
- log_k 14.7946
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8009692
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 20.0
-Ba+2 + Edta-4 = Ba(Edta)-2
- log_k 7.72
- delta_h -20.5016 kJ
- -gamma 0 0
- # Id: 1009691
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Na+ + Edta-4 = Na(Edta)-3
- log_k 2.7
- delta_h -5.8576 kJ
- -gamma 0 0
- # Id: 5009690
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-K+ + Edta-4 = K(Edta)-3
- log_k 1.7
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4109690
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-H+ + Propionate- = H(Propionate)
- log_k 4.874
- delta_h 0.66 kJ
- -gamma 0 0
- # Id: 3309711
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Pb+2 + Propionate- = Pb(Propionate)+
- log_k 2.64
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6009711
- # log K source: NIST46.4
- # Delta H source: SCD2.62
- #T and ionic strength: 0.00 35.0
-Pb+2 + 2Propionate- = Pb(Propionate)2
- log_k 3.1765
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6009712
- # log K source: NIST46.4
- # Delta H source: SCD2.62
- #T and ionic strength: 2.00 25.0
-Zn+2 + Propionate- = Zn(Propionate)+
- log_k 1.4389
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509711
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 25.0
-Zn+2 + 2Propionate- = Zn(Propionate)2
- log_k 1.842
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509712
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 1.00 25.0
-Cd+2 + Propionate- = Cd(Propionate)+
- log_k 1.598
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609711
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 1.00 25.0
-Cd+2 + 2Propionate- = Cd(Propionate)2
- log_k 2.472
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609712
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 1.00 25.0
-Hg(OH)2 + 2H+ + Propionate- = Hg(Propionate)+ + 2H2O
- log_k 10.594
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3619711
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.00 25.0
-Cu+2 + Propionate- = Cu(Propionate)+
- log_k 2.22
- delta_h 4.1 kJ
- -gamma 0 0
- # Id: 2319711
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Cu+2 + 2Propionate- = Cu(Propionate)2
- log_k 3.5
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319712
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.00 25.0
-Ni+2 + Propionate- = Ni(Propionate)+
- log_k 0.908
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409711
- # log K source: NIST46.4
- # Delta H source: SCD2.62
- #T and ionic strength: 1.00 25.0
-Co+2 + Propionate- = Co(Propionate)+
- log_k 0.671
- delta_h 4.6 kJ
- -gamma 0 0
- # Id: 2009711
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 2.00 25.0
-Co+2 + 2Propionate- = Co(Propionate)2
- log_k 0.5565
- delta_h 16 kJ
- -gamma 0 0
- # Id: 2009712
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 2.00 25.0
-Fe+3 + Propionate- = Fe(Propionate)+2
- log_k 4.012
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2819711
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 1.00 20.0
-Cr(OH)2+ + 2H+ + Propionate- = Cr(Propionate)+2 + 2H2O
- log_k 15.0773
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2119711
- # log K source: NIST46.4
- # Delta H source: SCD2.62
- #T and ionic strength: 0.50 25.0
-Cr(OH)2+ + 2H+ + 2Propionate- = Cr(Propionate)2+ + 2H2O
- log_k 17.9563
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2119712
- # log K source: NIST46.4
- # Delta H source: SCD2.62
- #T and ionic strength: 0.50 25.0
-Cr(OH)2+ + 2H+ + 3Propionate- = Cr(Propionate)3 + 2H2O
- log_k 20.8858
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2119713
- # log K source: NIST46.4
- # Delta H source: SCD2.62
- #T and ionic strength: 0.50 25.0
-Mg+2 + Propionate- = Mg(Propionate)+
- log_k 0.9689
- delta_h 4.2677 kJ
- -gamma 0 0
- # Id: 4609710
- # log K source: NIST46.4
- # Delta H source: SCD2.62
- #T and ionic strength: 0.10 25.0
-Ca+2 + Propionate- = Ca(Propionate)+
- log_k 0.9289
- delta_h 3.3472 kJ
- -gamma 0 0
- # Id: 1509710
- # log K source: NIST46.4
- # Delta H source: SCD2.62
- #T and ionic strength: 0.10 25.0
-Sr+2 + Propionate- = Sr(Propionate)+
- log_k 0.8589
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8009711
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 25.0
-Ba+2 + Propionate- = Ba(Propionate)+
- log_k 0.7689
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1009711
- # log K source: NIST46.4
- # Delta H source: SCD2.62
- #T and ionic strength: 0.10 25.0
-Ba+2 + 2Propionate- = Ba(Propionate)2
- log_k 0.9834
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1009712
- # log K source: NIST46.4
- # Delta H source: SCD2.62
- #T and ionic strength: 0.10 25.0
-H+ + Butyrate- = H(Butyrate)
- log_k 4.819
- delta_h 2.8 kJ
- -gamma 0 0
- # Id: 3309721
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Pb+2 + Butyrate- = Pb(Butyrate)+
- log_k 2.101
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6009721
- # log K source: NIST46.4
- # Delta H source: SCD2.62
- #T and ionic strength: 2.00 25.0
-Zn+2 + Butyrate- = Zn(Butyrate)+
- log_k 1.4289
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509721
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 25.0
-Hg(OH)2 + 2H+ + Butyrate- = Hg(Butyrate)+ + 2H2O
- log_k 10.3529
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3619721
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 25.0
-Cu+2 + Butyrate- = Cu(Butyrate)+
- log_k 2.14
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319721
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.00 25.0
-Ni+2 + Butyrate- = Ni(Butyrate)+
- log_k 0.691
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409721
- # log K source: NIST46.4
- # Delta H source: SCD2.62
- #T and ionic strength: 2.00 25.0
-Co+2 + Butyrate- = Co(Butyrate)+
- log_k 0.591
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2009721
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 2.00 25.0
-Co+2 + 2Butyrate- = Co(Butyrate)2
- log_k 0.7765
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2009722
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 2.00 25.0
-Mg+2 + Butyrate- = Mg(Butyrate)+
- log_k 0.9589
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4609720
- # log K source: NIST46.4
- # Delta H source: SCD2.62
- #T and ionic strength: 0.10 25.0
-Ca+2 + Butyrate- = Ca(Butyrate)+
- log_k 0.9389
- delta_h 3.3472 kJ
- -gamma 0 0
- # Id: 1509720
- # log K source: NIST46.4
- # Delta H source: SCD2.62
- #T and ionic strength: 0.10 25.0
-Sr+2 + Butyrate- = Sr(Butyrate)+
- log_k 0.7889
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8009721
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 25.0
-Ba+2 + Butyrate- = Ba(Butyrate)+
- log_k 0.7389
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1009721
- # log K source: NIST46.4
- # Delta H source: SCD2.62
- #T and ionic strength: 0.10 25.0
-Ba+2 + 2Butyrate- = Ba(Butyrate)2
- log_k 0.88
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1009722
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-H+ + Isobutyrate- = H(Isobutyrate)
- log_k 4.849
- delta_h 3.2217 kJ
- -gamma 0 0
- # Id: 3309731
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + Isobutyrate- = Zn(Isobutyrate)+
- log_k 1.44
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509731
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + Isobutyrate- = Cu(Isobutyrate)+
- log_k 2.17
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319731
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + 2Isobutyrate- = Cu(Isobutyrate)2
- log_k 3.3
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319732
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Fe+3 + Isobutyrate- = Fe(Isobutyrate)+2
- log_k 4.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2819731
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ca+2 + Isobutyrate- = Ca(Isobutyrate)+
- log_k 0.51
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1509731
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-H+ + Two_picoline = H(Two_picoline)+
- log_k 5.95
- delta_h -25.5224 kJ
- -gamma 0 0
- # Id: 3309801
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + Two_picoline = Cu(Two_picoline)+2
- log_k 1.3
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319801
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + 2Two_picoline = Cu(Two_picoline)2+2
- log_k 2.8
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319802
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+ + Two_picoline = Cu(Two_picoline)+
- log_k 5.4
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2309801
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+ + 2Two_picoline = Cu(Two_picoline)2+
- log_k 7.65
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2309802
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+ + 3Two_picoline = Cu(Two_picoline)3+
- log_k 8.5
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2309803
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + Two_picoline = Ag(Two_picoline)+
- log_k 2.32
- delta_h -24.2672 kJ
- -gamma 0 0
- # Id: 209801
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + 2Two_picoline = Ag(Two_picoline)2+
- log_k 4.68
- delta_h -42.6768 kJ
- -gamma 0 0
- # Id: 209802
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + Two_picoline = Ni(Two_picoline)+2
- log_k 0.4
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409801
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-H+ + Three_picoline = H(Three_picoline)+
- log_k 5.7
- delta_h -23.8488 kJ
- -gamma 0 0
- # Id: 3309811
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + Three_picoline = Zn(Three_picoline)+2
- log_k 1
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509811
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + 2Three_picoline = Zn(Three_picoline)2+2
- log_k 2.1
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509812
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + 3Three_picoline = Zn(Three_picoline)3+2
- log_k 2.6
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509813
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + 4Three_picoline = Zn(Three_picoline)4+2
- log_k 3.7
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509814
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + Three_picoline = Cd(Three_picoline)+2
- log_k 1.42
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609811
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cd+2 + 2Three_picoline = Cd(Three_picoline)2+2
- log_k 2.27
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609812
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cd+2 + 3Three_picoline = Cd(Three_picoline)3+2
- log_k 3.6
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609813
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + 4Three_picoline = Cd(Three_picoline)4+2
- log_k 4
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609814
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+ + Three_picoline = Cu(Three_picoline)+
- log_k 5.6
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2309811
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+ + 2Three_picoline = Cu(Three_picoline)2+
- log_k 7.78
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2309812
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+ + 3Three_picoline = Cu(Three_picoline)3+
- log_k 8.6
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2309813
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+ + 4Three_picoline = Cu(Three_picoline)4+
- log_k 9
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2309814
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + Three_picoline = Cu(Three_picoline)+2
- log_k 2.77
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319811
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + 2Three_picoline = Cu(Three_picoline)2+2
- log_k 4.8
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319812
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + 3Three_picoline = Cu(Three_picoline)3+2
- log_k 6.3
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319813
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + 4Three_picoline = Cu(Three_picoline)4+2
- log_k 7.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319814
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + Three_picoline = Ag(Three_picoline)+
- log_k 2.2
- delta_h -21.7568 kJ
- -gamma 0 0
- # Id: 209811
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + 2Three_picoline = Ag(Three_picoline)2+
- log_k 4.46
- delta_h -49.7896 kJ
- -gamma 0 0
- # Id: 209812
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + Three_picoline = Ni(Three_picoline)+2
- log_k 1.87
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409811
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + 2Three_picoline = Ni(Three_picoline)2+2
- log_k 3.3
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409812
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + 3Three_picoline = Ni(Three_picoline)3+2
- log_k 4.1
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409813
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + 4Three_picoline = Ni(Three_picoline)4+2
- log_k 4.6
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409814
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Co+2 + Three_picoline = Co(Three_picoline)+2
- log_k 1.4
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2009811
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.50 25.0
-Co+2 + 2Three_picoline = Co(Three_picoline)2+2
- log_k 2.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2009812
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.50 25.0
-Co+2 + 3Three_picoline = Co(Three_picoline)3+2
- log_k 2.5
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2009813
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.50 25.0
-H+ + Four_picoline = H(Four_picoline)+
- log_k 6.03
- delta_h -25.3132 kJ
- -gamma 0 0
- # Id: 3309821
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + Four_picoline = Zn(Four_picoline)+2
- log_k 1.4
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509821
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + 2Four_picoline = Zn(Four_picoline)2+2
- log_k 2.11
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509822
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + 3Four_picoline = Zn(Four_picoline)3+2
- log_k 2.85
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509823
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + Four_picoline = Cd(Four_picoline)+2
- log_k 1.59
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609821
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cd+2 + 2Four_picoline = Cd(Four_picoline)2+2
- log_k 2.4
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609822
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cd+2 + 3Four_picoline = Cd(Four_picoline)3+2
- log_k 3.18
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609823
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cd+2 + 4Four_picoline = Cd(Four_picoline)4+2
- log_k 4
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609824
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+ + Four_picoline = Cu(Four_picoline)+
- log_k 5.65
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2309821
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+ + 2Four_picoline = Cu(Four_picoline)2+
- log_k 8.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2309822
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+ + 3Four_picoline = Cu(Four_picoline)3+
- log_k 8.8
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2309823
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+ + 4Four_picoline = Cu(Four_picoline)4+
- log_k 9.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2309824
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + Four_picoline = Cu(Four_picoline)+2
- log_k 2.88
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319821
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + 2Four_picoline = Cu(Four_picoline)2+2
- log_k 5.16
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319822
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + 3Four_picoline = Cu(Four_picoline)3+2
- log_k 6.77
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319823
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + 4Four_picoline = Cu(Four_picoline)4+2
- log_k 8.08
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319824
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + 5Four_picoline = Cu(Four_picoline)5+2
- log_k 8.3
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319825
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + Four_picoline = Ag(Four_picoline)+
- log_k 2.03
- delta_h -25.5224 kJ
- -gamma 0 0
- # Id: 209821
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + 2Four_picoline = Ag(Four_picoline)2+
- log_k 4.39
- delta_h -53.5552 kJ
- -gamma 0 0
- # Id: 209822
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + Four_picoline = Ni(Four_picoline)+2
- log_k 2.11
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409821
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + 2Four_picoline = Ni(Four_picoline)2+2
- log_k 3.59
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409822
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + 3Four_picoline = Ni(Four_picoline)3+2
- log_k 4.34
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409823
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + 4Four_picoline = Ni(Four_picoline)4+2
- log_k 4.7
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409824
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Co+2 + Four_picoline = Co(Four_picoline)+2
- log_k 1.56
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2009821
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.50 25.0
-Co+2 + 2Four_picoline = Co(Four_picoline)2+2
- log_k 2.51
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2009822
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.50 25.0
-Co+2 + 3Four_picoline = Co(Four_picoline)3+2
- log_k 2.94
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2009823
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.50 25.0
-Co+2 + 4Four_picoline = Co(Four_picoline)4+2
- log_k 3.17
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2009824
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.50 25.0
-H+ + Formate- = H(Formate)
- log_k 3.745
- delta_h 0.1674 kJ
- -gamma 0 0
- # Id: 3309831
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Pb+2 + Formate- = Pb(Formate)+
- log_k 2.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6009831
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Zn+2 + Formate- = Zn(Formate)+
- log_k 1.44
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509831
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + Formate- = Cd(Formate)+
- log_k 1.7
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609831
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Hg(OH)2 + Formate- + 2H+ = Hg(Formate)+ + 2H2O
- log_k 9.6
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3619831
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + Formate- = Cu(Formate)+
- log_k 2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319831
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + Formate- = Ni(Formate)+
- log_k 1.22
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409831
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Co+2 + Formate- = Co(Formate)+
- log_k 1.209
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2009831
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.50 30.0
-Co+2 + 2Formate- = Co(Formate)2
- log_k 1.1365
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2009832
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 2.00 25.0
-Cr+2 + Formate- = Cr(Formate)+
- log_k 1.07
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2109831
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Mg+2 + Formate- = Mg(Formate)+
- log_k 1.43
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4609831
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ca+2 + Formate- = Ca(Formate)+
- log_k 1.43
- delta_h 4.184 kJ
- -gamma 0 0
- # Id: 1509831
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Sr+2 + Formate- = Sr(Formate)+
- log_k 1.39
- delta_h 4 kJ
- -gamma 0 0
- # Id: 8009831
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Ba+2 + Formate- = Ba(Formate)+
- log_k 1.38
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1009831
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-H+ + Isovalerate- = H(Isovalerate)
- log_k 4.781
- delta_h 4.5606 kJ
- -gamma 0 0
- # Id: 3309841
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + Isovalerate- = Zn(Isovalerate)+
- log_k 1.39
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509841
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + Isovalerate- = Cu(Isovalerate)+
- log_k 2.08
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319841
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ca+2 + Isovalerate- = Ca(Isovalerate)+
- log_k 0.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1509841
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-H+ + Valerate- = H(Valerate)
- log_k 4.843
- delta_h 2.887 kJ
- -gamma 0 0
- # Id: 3309851
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + Valerate- = Cu(Valerate)+
- log_k 2.12
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319851
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ca+2 + Valerate- = Ca(Valerate)+
- log_k 0.3
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1509851
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Ba+2 + Valerate- = Ba(Valerate)+
- log_k -0.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1009851
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-H+ + Acetate- = H(Acetate)
- log_k 4.757
- delta_h 0.41 kJ
- -gamma 0 0
- # Id: 3309921
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Sn(OH)2 + 2H+ + Acetate- = Sn(Acetate)+ + 2H2O
- log_k 10.0213
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7909921
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 3.00 25.0
-Sn(OH)2 + 2H+ + 2Acetate- = Sn(Acetate)2 + 2H2O
- log_k 12.32
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7909922
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 3.00 25.0
-Sn(OH)2 + 2H+ + 3Acetate- = Sn(Acetate)3- + 2H2O
- log_k 13.55
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7909923
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 3.00 25.0
-Pb+2 + Acetate- = Pb(Acetate)+
- log_k 2.68
- delta_h -0.4 kJ
- -gamma 0 0
- # Id: 6009921
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Pb+2 + 2Acetate- = Pb(Acetate)2
- log_k 4.08
- delta_h -0.8 kJ
- -gamma 0 0
- # Id: 6009922
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Tl+ + Acetate- = Tl(Acetate)
- log_k -0.11
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8709921
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.00 25.0
-Zn+2 + Acetate- = Zn(Acetate)+
- log_k 1.58
- delta_h 8.3 kJ
- -gamma 0 0
- # Id: 9509921
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Zn+2 + 2Acetate- = Zn(Acetate)2
- log_k 2.6434
- delta_h 22 kJ
- -gamma 0 0
- # Id: 9509922
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.10 25.0
-Cd+2 + Acetate- = Cd(Acetate)+
- log_k 1.93
- delta_h 9.6 kJ
- -gamma 0 0
- # Id: 1609921
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Cd+2 + 2Acetate- = Cd(Acetate)2
- log_k 2.86
- delta_h 15 kJ
- -gamma 0 0
- # Id: 1609922
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Hg(OH)2 + 2H+ + Acetate- = Hg(Acetate)+ + 2H2O
- log_k 10.494
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3619920
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.00 25.0
-Hg(OH)2 + 2H+ + 2Acetate- = Hg(Acetate)2 + 2H2O
- log_k 13.83
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3619921
- # log K source: NIST46.4
- # Delta H source: SCD2.62
- #T and ionic strength: 3.00 25.0
-Cu+2 + Acetate- = Cu(Acetate)+
- log_k 2.21
- delta_h 7.1 kJ
- -gamma 0 0
- # Id: 2319921
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Cu+2 + 2Acetate- = Cu(Acetate)2
- log_k 3.4
- delta_h 12 kJ
- -gamma 0 0
- # Id: 2319922
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Cu+2 + 3Acetate- = Cu(Acetate)3-
- log_k 3.9434
- delta_h 6.2 kJ
- -gamma 0 0
- # Id: 2319923
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.10 25.0
-Ag+ + Acetate- = Ag(Acetate)
- log_k 0.73
- delta_h 3 kJ
- -gamma 0 0
- # Id: 209921
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Ag+ + 2Acetate- = Ag(Acetate)2-
- log_k 0.64
- delta_h 3 kJ
- -gamma 0 0
- # Id: 209922
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Ni+2 + Acetate- = Ni(Acetate)+
- log_k 1.37
- delta_h 8.7 kJ
- -gamma 0 0
- # Id: 5409921
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Ni+2 + 2Acetate- = Ni(Acetate)2
- log_k 2.1
- delta_h 10 kJ
- -gamma 0 0
- # Id: 5409922
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Co+2 + Acetate- = Co(Acetate)+
- log_k 1.38
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2009921
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.00 25.0
-Co+2 + 2Acetate- = Co(Acetate)2
- log_k 0.7565
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2009922
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 2.00 25.0
-Fe+2 + Acetate- = Fe(Acetate)+
- log_k 1.4
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2809920
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.00 25.0
-Fe+3 + Acetate- = Fe(Acetate)+2
- log_k 4.0234
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2819920
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 20.0
-Fe+3 + 2Acetate- = Fe(Acetate)2+
- log_k 7.5723
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2819921
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 20.0
-Fe+3 + 3Acetate- = Fe(Acetate)3
- log_k 9.5867
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2819922
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 20.0
-Mn+2 + Acetate- = Mn(Acetate)+
- log_k 1.4
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4709920
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.00 25.0
-Cr+2 + Acetate- = Cr(Acetate)+
- log_k 1.8
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2109921
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.00 25.0
-Cr+2 + 2Acetate- = Cr(Acetate)2
- log_k 2.92
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2109922
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.00 25.0
-Cr(OH)2+ + 2H+ + Acetate- = Cr(Acetate)+2 + 2H2O
- log_k 15.0073
- delta_h -125.62 kJ
- -gamma 0 0
- # Id: 2119921
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.50 25.0
-Cr(OH)2+ + 2H+ + 2Acetate- = Cr(Acetate)2+ + 2H2O
- log_k 17.9963
- delta_h -117.62 kJ
- -gamma 0 0
- # Id: 2119922
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.50 25.0
-Cr(OH)2+ + 2H+ + 3Acetate- = Cr(Acetate)3 + 2H2O
- log_k 20.7858
- delta_h -96.62 kJ
- -gamma 0 0
- # Id: 2119923
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.50 25.0
-Be+2 + Acetate- = Be(Acetate)+
- log_k 2.0489
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1109921
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 25.0
-Be+2 + 2Acetate- = Be(Acetate)2
- log_k 3.0034
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1109922
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 25.0
-Mg+2 + Acetate- = Mg(Acetate)+
- log_k 1.27
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4609920
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.00 25.0
-Ca+2 + Acetate- = Ca(Acetate)+
- log_k 1.18
- delta_h 4 kJ
- -gamma 0 0
- # Id: 1509920
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Sr+2 + Acetate- = Sr(Acetate)+
- log_k 1.14
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8009921
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.00 25.0
-Ba+2 + Acetate- = Ba(Acetate)+
- log_k 1.07
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1009921
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.00 25.0
-Na+ + Acetate- = Na(Acetate)
- log_k -0.18
- delta_h 12 kJ
- -gamma 0 0
- # Id: 5009920
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-K+ + Acetate- = K(Acetate)
- log_k -0.1955
- delta_h 4.184 kJ
- -gamma 0 0
- # Id: 4109921
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 25.0
-H+ + Tartarate-2 = H(Tartarate)-
- log_k 4.366
- delta_h -0.7531 kJ
- -gamma 0 0
- # Id: 3309931
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-2H+ + Tartarate-2 = H2(Tartarate)
- log_k 7.402
- delta_h -3.6819 kJ
- -gamma 0 0
- # Id: 3309932
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Sn(OH)2 + 2H+ + Tartarate-2 = Sn(Tartarate) + 2H2O
- log_k 13.1518
- delta_h 0 kJ
- -gamma 0 0
- # Id: 7909931
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 20.0
-Pb+2 + Tartarate-2 = Pb(Tartarate)
- log_k 3.98
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6009931
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Al+3 + 2Tartarate-2 = Al(Tartarate)2-
- log_k 9.37
- delta_h 0 kJ
- -gamma 0 0
- # Id: 309931
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Tl+ + Tartarate-2 = Tl(Tartarate)-
- log_k 1.4
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8709931
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Tl+ + Tartarate-2 + H+ = TlH(Tartarate)
- log_k 4.8
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8709932
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + Tartarate-2 = Zn(Tartarate)
- log_k 3.43
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509931
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + 2Tartarate-2 = Zn(Tartarate)2-2
- log_k 5.5
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509932
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + Tartarate-2 + H+ = ZnH(Tartarate)+
- log_k 5.9
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509933
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + Tartarate-2 = Cd(Tartarate)
- log_k 2.7
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609931
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + 2Tartarate-2 = Cd(Tartarate)2-2
- log_k 4.1
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609932
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Hg(OH)2 + Tartarate-2 + 2H+ = Hg(Tartarate) + 2H2O
- log_k 14
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3619931
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + Tartarate-2 = Cu(Tartarate)
- log_k 3.97
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319931
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + Tartarate-2 + H+ = CuH(Tartarate)+
- log_k 6.7
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319932
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + Tartarate-2 = Ni(Tartarate)
- log_k 3.46
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409931
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + Tartarate-2 + H+ = NiH(Tartarate)+
- log_k 5.89
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409932
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Co+2 + Tartarate-2 = Co(Tartarate)
- log_k 3.05
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2009931
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.00 25.0
-Co+2 + 2Tartarate-2 = Co(Tartarate)2-2
- log_k 4
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2009932
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.00 25.0
-Co+2 + H+ + Tartarate-2 = CoH(Tartarate)+
- log_k 5.754
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2009933
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 1.00 20.0
-Fe+2 + Tartarate-2 = Fe(Tartarate)
- log_k 3.1
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2809931
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Fe+3 + Tartarate-2 = Fe(Tartarate)+
- log_k 7.78
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2819931
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Mn+2 + Tartarate-2 = Mn(Tartarate)
- log_k 3.38
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4709931
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Mn+2 + Tartarate-2 + H+ = MnH(Tartarate)+
- log_k 6
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4709932
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Mg+2 + Tartarate-2 = Mg(Tartarate)
- log_k 2.3
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4609931
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Mg+2 + Tartarate-2 + H+ = MgH(Tartarate)+
- log_k 5.75
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4609932
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Be+2 + Tartarate-2 = Be(Tartarate)
- log_k 2.768
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1109931
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.50 25.0
-Be+2 + 2Tartarate-2 = Be(Tartarate)2-2
- log_k 4.008
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1109932
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.50 25.0
-Ca+2 + Tartarate-2 = Ca(Tartarate)
- log_k 2.8
- delta_h -8.368 kJ
- -gamma 0 0
- # Id: 1509931
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ca+2 + Tartarate-2 + H+ = CaH(Tartarate)+
- log_k 5.86
- delta_h -9.1211 kJ
- -gamma 0 0
- # Id: 1509932
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Sr+2 + Tartarate-2 = Sr(Tartarate)
- log_k 2.55
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8009931
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.00 20.0
-Sr+2 + H+ + Tartarate-2 = SrH(Tartarate)+
- log_k 5.8949
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8009932
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 25.0
-Ba+2 + Tartarate-2 = Ba(Tartarate)
- log_k 2.54
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1009931
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ba+2 + Tartarate-2 + H+ = BaH(Tartarate)+
- log_k 5.77
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1009932
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Na+ + Tartarate-2 = Na(Tartarate)-
- log_k 0.9
- delta_h -0.8368 kJ
- -gamma 0 0
- # Id: 5009931
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Na+ + Tartarate-2 + H+ = NaH(Tartarate)
- log_k 4.58
- delta_h -2.8451 kJ
- -gamma 0 0
- # Id: 5009932
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-K+ + Tartarate-2 = K(Tartarate)-
- log_k 0.8
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4109931
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-H+ + Glycine- = H(Glycine)
- log_k 9.778
- delta_h -44.3504 kJ
- -gamma 0 0
- # Id: 3309941
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-2H+ + Glycine- = H2(Glycine)+
- log_k 12.128
- delta_h -48.4507 kJ
- -gamma 0 0
- # Id: 3309942
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Pb+2 + Glycine- = Pb(Glycine)+
- log_k 5.47
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6009941
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Pb+2 + 2Glycine- = Pb(Glycine)2
- log_k 8.86
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6009942
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Tl+ + Glycine- = Tl(Glycine)
- log_k 1.72
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8709941
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + Glycine- = Zn(Glycine)+
- log_k 5.38
- delta_h -11.7152 kJ
- -gamma 0 0
- # Id: 9509941
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + 2Glycine- = Zn(Glycine)2
- log_k 9.81
- delta_h -24.2672 kJ
- -gamma 0 0
- # Id: 9509942
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + 3Glycine- = Zn(Glycine)3-
- log_k 12.3
- delta_h -39.748 kJ
- -gamma 0 0
- # Id: 9509943
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + Glycine- = Cd(Glycine)+
- log_k 4.69
- delta_h -8.7864 kJ
- -gamma 0 0
- # Id: 1609941
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + 2Glycine- = Cd(Glycine)2
- log_k 8.4
- delta_h -22.5936 kJ
- -gamma 0 0
- # Id: 1609942
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + 3Glycine- = Cd(Glycine)3-
- log_k 10.7
- delta_h -35.9824 kJ
- -gamma 0 0
- # Id: 1609943
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Hg(OH)2 + Glycine- + 2H+ = Hg(Glycine)+ + 2H2O
- log_k 17
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3619941
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Hg(OH)2 + 2Glycine- + 2H+ = Hg(Glycine)2 + 2H2O
- log_k 25.8
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3619942
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cu+ + 2Glycine- = Cu(Glycine)2-
- log_k 10.3
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2309941
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + Glycine- = Cu(Glycine)+
- log_k 8.57
- delta_h -25.104 kJ
- -gamma 0 0
- # Id: 2319941
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + 2Glycine- = Cu(Glycine)2
- log_k 15.7
- delta_h -54.8104 kJ
- -gamma 0 0
- # Id: 2319942
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + Glycine- = Ag(Glycine)
- log_k 3.51
- delta_h -19.2464 kJ
- -gamma 0 0
- # Id: 209941
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + 2Glycine- = Ag(Glycine)2-
- log_k 6.89
- delta_h -48.116 kJ
- -gamma 0 0
- # Id: 209942
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + Glycine- = Ni(Glycine)+
- log_k 6.15
- delta_h -18.828 kJ
- -gamma 0 0
- # Id: 5409941
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + 2Glycine- = Ni(Glycine)2
- log_k 11.12
- delta_h -38.0744 kJ
- -gamma 0 0
- # Id: 5409942
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + 3Glycine- = Ni(Glycine)3-
- log_k 14.63
- delta_h -62.3416 kJ
- -gamma 0 0
- # Id: 5409943
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Co+2 + Glycine- = Co(Glycine)+
- log_k 5.07
- delta_h -12 kJ
- -gamma 0 0
- # Id: 2009941
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Co+2 + 2Glycine- = Co(Glycine)2
- log_k 9.07
- delta_h -26 kJ
- -gamma 0 0
- # Id: 2009942
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Co+2 + 3Glycine- = Co(Glycine)3-
- log_k 11.6
- delta_h -41 kJ
- -gamma 0 0
- # Id: 2009943
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Co+2 + Glycine- + H2O = CoOH(Glycine) + H+
- log_k -5.02
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2009944
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 25.0
-Fe+2 + Glycine- = Fe(Glycine)+
- log_k 4.31
- delta_h -15.0624 kJ
- -gamma 0 0
- # Id: 2809941
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Fe+2 + 2Glycine- = Fe(Glycine)2
- log_k 8.29
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2809942
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Fe+3 + Glycine- = Fe(Glycine)+2
- log_k 9.38
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2819941
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Fe+3 + Glycine- + H+ = FeH(Glycine)+3
- log_k 11.55
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2819942
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Mn+2 + Glycine- = Mn(Glycine)+
- log_k 3.19
- delta_h -1.2552 kJ
- -gamma 0 0
- # Id: 4709941
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Mn+2 + 2Glycine- = Mn(Glycine)2
- log_k 5.4
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4709942
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cr(OH)2+ + Glycine- + 2H+ = Cr(Glycine)+2 + 2H2O
- log_k 18.7
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2119941
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cr(OH)2+ + 2Glycine- + 2H+ = Cr(Glycine)2+ + 2H2O
- log_k 25.6
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2119942
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cr(OH)2+ + 3Glycine- + 2H+ = Cr(Glycine)3 + 2H2O
- log_k 31.6
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2119943
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Mg+2 + Glycine- = Mg(Glycine)+
- log_k 2.08
- delta_h 4.184 kJ
- -gamma 0 0
- # Id: 4609941
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ca+2 + Glycine- = Ca(Glycine)+
- log_k 1.39
- delta_h -4.184 kJ
- -gamma 0 0
- # Id: 1509941
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ca+2 + Glycine- + H+ = CaH(Glycine)+2
- log_k 10.1
- delta_h -35.9824 kJ
- -gamma 0 0
- # Id: 1509942
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Sr+2 + Glycine- = Sr(Glycine)+
- log_k 0.91
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8009941
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.00 25.0
-Ba+2 + Glycine- = Ba(Glycine)+
- log_k 0.77
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1009941
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-H+ + Salicylate-2 = H(Salicylate)-
- log_k 13.7
- delta_h -35.7732 kJ
- -gamma 0 0
- # Id: 3309951
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-2H+ + Salicylate-2 = H2(Salicylate)
- log_k 16.8
- delta_h -38.7857 kJ
- -gamma 0 0
- # Id: 3309952
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + Salicylate-2 = Zn(Salicylate)
- log_k 7.71
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509951
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Zn+2 + Salicylate-2 + H+ = ZnH(Salicylate)+
- log_k 15.5
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509952
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + Salicylate-2 = Cd(Salicylate)
- log_k 6.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609951
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + Salicylate-2 + H+ = CdH(Salicylate)+
- log_k 16
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609952
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + Salicylate-2 = Cu(Salicylate)
- log_k 11.3
- delta_h -17.9912 kJ
- -gamma 0 0
- # Id: 2319951
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + 2Salicylate-2 = Cu(Salicylate)2-2
- log_k 19.3
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319952
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + Salicylate-2 + H+ = CuH(Salicylate)+
- log_k 14.8
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2319953
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + Salicylate-2 = Ni(Salicylate)
- log_k 8.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409951
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + 2Salicylate-2 = Ni(Salicylate)2-2
- log_k 12.64
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409952
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Co+2 + Salicylate-2 = Co(Salicylate)
- log_k 7.4289
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2009951
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 20.0
-Co+2 + 2Salicylate-2 = Co(Salicylate)2-2
- log_k 11.8
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2009952
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 20.0
-Fe+2 + Salicylate-2 = Fe(Salicylate)
- log_k 7.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2809951
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Fe+2 + 2Salicylate-2 = Fe(Salicylate)2-2
- log_k 11.6
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2809952
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Fe+3 + Salicylate-2 = Fe(Salicylate)+
- log_k 17.6
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2819951
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Fe+3 + 2Salicylate-2 = Fe(Salicylate)2-
- log_k 29.3
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2819952
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Mn+2 + Salicylate-2 = Mn(Salicylate)
- log_k 6.5
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4709951
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Mn+2 + 2Salicylate-2 = Mn(Salicylate)2-2
- log_k 10.1
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4709952
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Be+2 + Salicylate-2 = Be(Salicylate)
- log_k 13.3889
- delta_h -31.7732 kJ
- -gamma 0 0
- # Id: 1109951
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.10 25.0
-Be+2 + 2Salicylate-2 = Be(Salicylate)2-2
- log_k 23.25
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1109952
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 25.0
-Mg+2 + Salicylate-2 = Mg(Salicylate)
- log_k 5.76
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4609951
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Mg+2 + Salicylate-2 + H+ = MgH(Salicylate)+
- log_k 15.3
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4609952
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Ca+2 + Salicylate-2 = Ca(Salicylate)
- log_k 4.05
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1509951
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ca+2 + Salicylate-2 + H+ = CaH(Salicylate)+
- log_k 14.3
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1509952
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ba+2 + Salicylate-2 + H+ = BaH(Salicylate)+
- log_k 13.9
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1009951
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-H+ + Glutamate-2 = H(Glutamate)-
- log_k 9.96
- delta_h -41.0032 kJ
- -gamma 0 0
- # Id: 3309961
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-2H+ + Glutamate-2 = H2(Glutamate)
- log_k 14.26
- delta_h -43.5136 kJ
- -gamma 0 0
- # Id: 3309962
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-3H+ + Glutamate-2 = H3(Glutamate)+
- log_k 16.42
- delta_h -46.8608 kJ
- -gamma 0 0
- # Id: 3309963
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Pb+2 + Glutamate-2 = Pb(Glutamate)
- log_k 6.43
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6009961
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Pb+2 + 2Glutamate-2 = Pb(Glutamate)2-2
- log_k 8.61
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6009962
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Pb+2 + Glutamate-2 + H+ = PbH(Glutamate)+
- log_k 14.08
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6009963
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Al+3 + Glutamate-2 + H+ = AlH(Glutamate)+2
- log_k 13.07
- delta_h 0 kJ
- -gamma 0 0
- # Id: 309961
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + Glutamate-2 = Zn(Glutamate)
- log_k 6.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509961
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Zn+2 + 2Glutamate-2 = Zn(Glutamate)2-2
- log_k 9.13
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509962
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Zn+2 + 3Glutamate-2 = Zn(Glutamate)3-4
- log_k 9.8
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509963
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cd+2 + Glutamate-2 = Cd(Glutamate)
- log_k 4.7
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609961
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + 2Glutamate-2 = Cd(Glutamate)2-2
- log_k 7.59
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609962
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Hg(OH)2 + Glutamate-2 + 2H+ = Hg(Glutamate) + 2H2O
- log_k 19.8
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3619961
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Hg(OH)2 + 2Glutamate-2 + 2H+ = Hg(Glutamate)2-2 + 2H2O
- log_k 26.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 3619962
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cu+2 + Glutamate-2 = Cu(Glutamate)
- log_k 9.17
- delta_h -20.92 kJ
- -gamma 0 0
- # Id: 2319961
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + 2Glutamate-2 = Cu(Glutamate)2-2
- log_k 15.78
- delta_h -48.116 kJ
- -gamma 0 0
- # Id: 2319962
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + Glutamate-2 + H+ = CuH(Glutamate)+
- log_k 13.3
- delta_h -28.0328 kJ
- -gamma 0 0
- # Id: 2319963
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + Glutamate-2 = Ag(Glutamate)-
- log_k 4.22
- delta_h 0 kJ
- -gamma 0 0
- # Id: 209961
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ag+ + 2Glutamate-2 = Ag(Glutamate)2-3
- log_k 7.36
- delta_h 0 kJ
- -gamma 0 0
- # Id: 209962
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-2Ag+ + Glutamate-2 = Ag2(Glutamate)
- log_k 3.4
- delta_h 0 kJ
- -gamma 0 0
- # Id: 209963
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + Glutamate-2 = Ni(Glutamate)
- log_k 6.47
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409961
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + 2Glutamate-2 = Ni(Glutamate)2-2
- log_k 10.7
- delta_h -30.9616 kJ
- -gamma 0 0
- # Id: 5409962
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Co+2 + Glutamate-2 = Co(Glutamate)
- log_k 5.4178
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2009961
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 25.0
-Co+2 + 2Glutamate-2 = Co(Glutamate)2-2
- log_k 8.7178
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2009962
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 25.0
-Mn+2 + Glutamate-2 = Mn(Glutamate)
- log_k 4.95
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4709961
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Mn+2 + 2Glutamate-2 = Mn(Glutamate)2-2
- log_k 8.48
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4709962
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cr(OH)2+ + Glutamate-2 + 2H+ = Cr(Glutamate)+ + 2H2O
- log_k 22.6
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2119961
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cr(OH)2+ + 2Glutamate-2 + 2H+ = Cr(Glutamate)2- + 2H2O
- log_k 30.7
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2119962
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cr(OH)2+ + Glutamate-2 + 3H+ = CrH(Glutamate)+2 + 2H2O
- log_k 25.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2119963
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Mg+2 + Glutamate-2 = Mg(Glutamate)
- log_k 2.8
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4609961
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ca+2 + Glutamate-2 = Ca(Glutamate)
- log_k 2.06
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1509961
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ca+2 + Glutamate-2 + H+ = CaH(Glutamate)+
- log_k 11.13
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1509962
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Sr+2 + Glutamate-2 = Sr(Glutamate)
- log_k 2.2278
- delta_h 0 kJ
- -gamma 0 0
- # Id: 8009961
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 25.0
-Ba+2 + Glutamate-2 = Ba(Glutamate)
- log_k 2.14
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1009961
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-H+ + Phthalate-2 = H(Phthalate)-
- log_k 5.408
- delta_h 2.1757 kJ
- -gamma 0 0
- # Id: 3309971
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-2H+ + Phthalate-2 = H2(Phthalate)
- log_k 8.358
- delta_h 4.8534 kJ
- -gamma 0 0
- # Id: 3309972
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Pb+2 + Phthalate-2 = Pb(Phthalate)
- log_k 4.26
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6009971
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Pb+2 + 2Phthalate-2 = Pb(Phthalate)2-2
- log_k 4.83
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6009972
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Pb+2 + Phthalate-2 + H+ = PbH(Phthalate)+
- log_k 6.98
- delta_h 0 kJ
- -gamma 0 0
- # Id: 6009973
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Al+3 + Phthalate-2 = Al(Phthalate)+
- log_k 4.56
- delta_h 0 kJ
- -gamma 0 0
- # Id: 309971
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Al+3 + 2Phthalate-2 = Al(Phthalate)2-
- log_k 7.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 309972
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + Phthalate-2 = Zn(Phthalate)
- log_k 2.91
- delta_h 13.3888 kJ
- -gamma 0 0
- # Id: 9509971
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Zn+2 + 2Phthalate-2 = Zn(Phthalate)2-2
- log_k 4.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 9509972
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + Phthalate-2 = Cd(Phthalate)
- log_k 3.43
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609971
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + Phthalate-2 + H+ = CdH(Phthalate)+
- log_k 6.3
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609973
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cd+2 + 2Phthalate-2 = Cd(Phthalate)2-2
- log_k 3.7
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1609972
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + Phthalate-2 = Cu(Phthalate)
- log_k 4.02
- delta_h 8.368 kJ
- -gamma 0 0
- # Id: 2319971
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + Phthalate-2 + H+ = CuH(Phthalate)+
- log_k 7.1
- delta_h 3.8493 kJ
- -gamma 0 0
- # Id: 2319970
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cu+2 + 2Phthalate-2 = Cu(Phthalate)2-2
- log_k 5.3
- delta_h 15.8992 kJ
- -gamma 0 0
- # Id: 2319972
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + Phthalate-2 = Ni(Phthalate)
- log_k 2.95
- delta_h 7.5312 kJ
- -gamma 0 0
- # Id: 5409971
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ni+2 + Phthalate-2 + H+ = NiH(Phthalate)+
- log_k 6.6
- delta_h 0 kJ
- -gamma 0 0
- # Id: 5409972
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Co+2 + Phthalate-2 = Co(Phthalate)
- log_k 2.83
- delta_h 7.9 kJ
- -gamma 0 0
- # Id: 2009971
- # log K source: NIST46.4
- # Delta H source: NIST46.4
- #T and ionic strength: 0.00 25.0
-Co+2 + H+ + Phthalate-2 = CoH(Phthalate)+
- log_k 7.227
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2009972
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.50 25.0
-Mn+2 + Phthalate-2 = Mn(Phthalate)
- log_k 2.74
- delta_h 10.0416 kJ
- -gamma 0 0
- # Id: 4709971
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Cr(OH)2+ + Phthalate-2 + 2H+ = Cr(Phthalate)+ + 2H2O
- log_k 16.3
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2119971
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cr(OH)2+ + 2Phthalate-2 + 2H+ = Cr(Phthalate)2- + 2H2O
- log_k 21.2
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2119972
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Cr(OH)2+ + 3Phthalate-2 + 2H+ = Cr(Phthalate)3-3 + 2H2O
- log_k 23.3
- delta_h 0 kJ
- -gamma 0 0
- # Id: 2119973
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Be+2 + Phthalate-2 = Be(Phthalate)
- log_k 4.8278
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1109971
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 25.0
-Be+2 + 2Phthalate-2 = Be(Phthalate)2-2
- log_k 6.5478
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1109972
- # log K source: NIST46.4
- # Delta H source: NIST46.2
- #T and ionic strength: 0.10 25.0
-Mg+2 + Phthalate-2 = Mg(Phthalate)
- log_k 2.49
- delta_h 0 kJ
- -gamma 0 0
- # Id: 4609971
- # log K source: SCD2.62
- # Delta H source: SCD2.62
- #T and ionic strength:
-Ca+2 + Phthalate-2 = Ca(Phthalate)
- log_k 2.45
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1509970
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ca+2 + Phthalate-2 + H+ = CaH(Phthalate)+
- log_k 6.43
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1509971
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Ba+2 + Phthalate-2 = Ba(Phthalate)
- log_k 2.33
- delta_h 0 kJ
- -gamma 0 0
- # Id: 1009971
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-Na+ + Phthalate-2 = Na(Phthalate)-
- log_k 0.8
- delta_h 4.184 kJ
- -gamma 0 0
- # Id: 5009970
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-K+ + Phthalate-2 = K(Phthalate)-
- log_k 0.7
- delta_h 3.7656 kJ
- -gamma 0 0
- # Id: 4109971
- # log K source: NIST46.2
- # Delta H source: NIST46.2
- #T and ionic strength:
-PHASES
-Sulfur
- S + H+ + 2e- = HS-
- log_k -2.1449
- delta_h -16.3 kJ
-Semetal(hex
- Se + H+ + 2e- = HSe-
- log_k -7.7084
- delta_h 15.9 kJ
-Semetal(am)
- Se + H+ + 2e- = HSe-
- log_k -7.1099
- delta_h 10.8784 kJ
-Sbmetal
- Sb + 3H2O = Sb(OH)3 + 3H+ + 3e-
- log_k -11.6889
- delta_h 83.89 kJ
-Snmetal(wht)
- Sn + 2H2O = Sn(OH)2 + 2H+ + 2e-
- log_k -2.3266
- delta_h -0 kJ
-Pbmetal
- Pb = Pb+2 + 2e-
- log_k 4.2462
- delta_h 0.92 kJ
-Tlmetal
- Tl = Tl+ + e-
- log_k 5.6762
- delta_h 5.36 kJ
-Znmetal
- Zn = Zn+2 + 2e-
- log_k 25.7886
- delta_h -153.39 kJ
-Cdmetal(alpha)
- Cd = Cd+2 + 2e-
- log_k 13.5147
- delta_h -75.33 kJ
-Cdmetal(gamma)
- Cd = Cd+2 + 2e-
- log_k 13.618
- delta_h -75.92 kJ
-Hgmetal(l)
- Hg = 0.5Hg2+2 + e-
- log_k -13.4517
- delta_h 83.435 kJ
-Cumetal
- Cu = Cu+ + e-
- log_k -8.756
- delta_h 71.67 kJ
-Agmetal
- Ag = Ag+ + e-
- log_k -13.5065
- delta_h 105.79 kJ
-Crmetal
- Cr = Cr+2 + 2e-
- log_k 30.4831
- delta_h -172 kJ
-Vmetal
- V = V+3 + 3e-
- log_k 44.0253
- delta_h -259 kJ
-Stibnite
- Sb2S3 + 6H2O = 2Sb(OH)3 + 3H+ + 3HS-
- log_k -50.46
- delta_h 293.78 kJ
-Orpiment
- As2S3 + 6H2O = 2H3AsO3 + 3HS- + 3H+
- log_k -61.0663
- delta_h 350.68 kJ
-Realgar
- AsS + 3H2O = H3AsO3 + HS- + 2H+ + e-
- log_k -19.747
- delta_h 127.8 kJ
-SnS
- SnS + 2H2O = Sn(OH)2 + H+ + HS-
- log_k -19.114
- delta_h -0 kJ
-SnS2
- SnS2 + 6H2O = Sn(OH)6-2 + 4H+ + 2HS-
- log_k -57.4538
- delta_h -0 kJ
-Galena
- PbS + H+ = Pb+2 + HS-
- log_k -13.97
- delta_h 80 kJ
-Tl2S
- Tl2S + H+ = 2Tl+ + HS-
- log_k -7.19
- delta_h 91.52 kJ
-ZnS(am)
- ZnS + H+ = Zn+2 + HS-
- log_k -9.052
- delta_h 15.3553 kJ
-Sphalerite
- ZnS + H+ = Zn+2 + HS-
- log_k -11.45
- delta_h 30 kJ
-Wurtzite
- ZnS + H+ = Zn+2 + HS-
- log_k -8.95
- delta_h 21.171 kJ
-Greenockite
- CdS + H+ = Cd+2 + HS-
- log_k -14.36
- delta_h 55 kJ
-Hg2S
- Hg2S + H+ = Hg2+2 + HS-
- log_k -11.6765
- delta_h 69.7473 kJ
-Cinnabar
- HgS + 2H2O = Hg(OH)2 + H+ + HS-
- log_k -45.694
- delta_h 253.76 kJ
-Metacinnabar
- HgS + 2H2O = Hg(OH)2 + H+ + HS-
- log_k -45.094
- delta_h 253.72 kJ
-Chalcocite
- Cu2S + H+ = 2Cu+ + HS-
- log_k -34.92
- delta_h 168 kJ
-Djurleite
- Cu0.066Cu1.868S + H+ = 0.066Cu+2 + 1.868Cu+ + HS-
- log_k -33.92
- delta_h 200.334 kJ
-Anilite
- Cu0.25Cu1.5S + H+ = 0.25Cu+2 + 1.5Cu+ + HS-
- log_k -31.878
- delta_h 182.15 kJ
-BlaubleiII
- Cu0.6Cu0.8S + H+ = 0.6Cu+2 + 0.8Cu+ + HS-
- log_k -27.279
- delta_h -0 kJ
-BlaubleiI
- Cu0.9Cu0.2S + H+ = 0.9Cu+2 + 0.2Cu+ + HS-
- log_k -24.162
- delta_h -0 kJ
-Covellite
- CuS + H+ = Cu+2 + HS-
- log_k -22.3
- delta_h 97 kJ
-Chalcopyrite
- CuFeS2 + 2H+ = Cu+2 + Fe+2 + 2HS-
- log_k -35.27
- delta_h 148.448 kJ
-Acanthite
- Ag2S + H+ = 2Ag+ + HS-
- log_k -36.22
- delta_h 227 kJ
-NiS(alpha)
- NiS + H+ = Ni+2 + HS-
- log_k -5.6
- delta_h -0 kJ
-NiS(beta)
- NiS + H+ = Ni+2 + HS-
- log_k -11.1
- delta_h -0 kJ
-NiS(gamma)
- NiS + H+ = Ni+2 + HS-
- log_k -12.8
- delta_h -0 kJ
-CoS(alpha)
- CoS + H+ = Co+2 + HS-
- log_k -7.44
- delta_h -0 kJ
-CoS(beta)
- CoS + H+ = Co+2 + HS-
- log_k -11.07
- delta_h -0 kJ
-FeS(ppt)
- FeS + H+ = Fe+2 + HS-
- log_k -2.95
- delta_h -11 kJ
-Greigite
- Fe3S4 + 4H+ = 2Fe+3 + Fe+2 + 4HS-
- log_k -45.035
- delta_h -0 kJ
-Mackinawite
- FeS + H+ = Fe+2 + HS-
- log_k -3.6
- delta_h -0 kJ
-Pyrite
- FeS2 + 2H+ + 2e- = Fe+2 + 2HS-
- log_k -18.5082
- delta_h 49.844 kJ
-MnS(grn)
- MnS + H+ = Mn+2 + HS-
- log_k 0.17
- delta_h -32 kJ
-MnS(pnk)
- MnS + H+ = Mn+2 + HS-
- log_k 3.34
- delta_h -0 kJ
-MoS2
- MoS2 + 4H2O = MoO4-2 + 6H+ + 2HS- + 2e-
- log_k -70.2596
- delta_h 389.02 kJ
-BeS
- BeS + H+ = Be+2 + HS-
- log_k 19.38
- delta_h -0 kJ
-BaS
- BaS + H+ = Ba+2 + HS-
- log_k 16.18
- delta_h -0 kJ
-Hg2(Cyanide)2
- Hg2(Cyanide)2 = Hg2+2 + 2Cyanide-
- log_k -39.3
- delta_h -0 kJ
-CuCyanide
- CuCyanide = Cu+ + Cyanide-
- log_k -19.5
- delta_h -19 kJ
-AgCyanide
- AgCyanide = Ag+ + Cyanide-
- log_k -15.74
- delta_h 110.395 kJ
-Ag2(Cyanide)2
- Ag2(Cyanide)2 = 2Ag+ + 2Cyanide-
- log_k -11.3289
- delta_h -0 kJ
-NaCyanide(cubic)
- NaCyanide = Cyanide- + Na+
- log_k 1.6012
- delta_h 0.969 kJ
-KCyanide(cubic)
- KCyanide = Cyanide- + K+
- log_k 1.4188
- delta_h 11.93 kJ
-Pb2Fe(Cyanide)6
- Pb2Fe(Cyanide)6 = 2Pb+2 + Fe+2 + 6Cyanide-
- log_k -53.42
- delta_h -0 kJ
-Zn2Fe(Cyanide)6
- Zn2Fe(Cyanide)6 = 2Zn+2 + Fe+2 + 6Cyanide-
- log_k -51.08
- delta_h -0 kJ
-Cd2Fe(Cyanide)6
- Cd2Fe(Cyanide)6 = 2Cd+2 + Fe+2 + 6Cyanide-
- log_k -52.78
- delta_h -0 kJ
-Ag4Fe(Cyanide)6
- Ag4Fe(Cyanide)6 = 4Ag+ + Fe+2 + 6Cyanide-
- log_k -79.47
- delta_h -0 kJ
-Ag3Fe(Cyanide)6
- Ag3Fe(Cyanide)6 = 3Ag+ + Fe+3 + 6Cyanide-
- log_k -72.7867
- delta_h -0 kJ
-Mn3(Fe(Cyanide)6)2
- Mn3(Fe(Cyanide)6)2 = 3Mn+2 + 2Fe+3 + 12Cyanide-
- log_k -105.4
- delta_h -0 kJ
-Sb2Se3
- Sb2Se3 + 6H2O = 2Sb(OH)3 + 3HSe- + 3H+
- log_k -67.7571
- delta_h 343.046 kJ
-SnSe
- SnSe + 2H2O = Sn(OH)2 + H+ + HSe-
- log_k -30.494
- delta_h -0 kJ
-SnSe2
- SnSe2 + 6H2O = Sn(OH)6-2 + 4H+ + 2HSe-
- log_k -65.1189
- delta_h -0 kJ
-Clausthalite
- PbSe + H+ = Pb+2 + HSe-
- log_k -27.1
- delta_h 119.72 kJ
-Tl2Se
- Tl2Se + H+ = 2Tl+ + HSe-
- log_k -18.1
- delta_h 85.62 kJ
-ZnSe
- ZnSe + H+ = Zn+2 + HSe-
- log_k -14.4
- delta_h 25.51 kJ
-CdSe
- CdSe + H+ = Cd+2 + HSe-
- log_k -20.2
- delta_h 75.9814 kJ
-HgSe
- HgSe + 2H2O = Hg(OH)2 + H+ + HSe-
- log_k -55.694
- delta_h -0 kJ
-Cu2Se(alpha)
- Cu2Se + H+ = 2Cu+ + HSe-
- log_k -45.8
- delta_h 214.263 kJ
-Cu3Se2
- Cu3Se2 + 2H+ = 2HSe- + 2Cu+ + Cu+2
- log_k -63.4911
- delta_h 340.327 kJ
-CuSe
- CuSe + H+ = Cu+2 + HSe-
- log_k -33.1
- delta_h 121.127 kJ
-CuSe2
- CuSe2 + 2H+ + 2e- = 2HSe- + Cu+2
- log_k -33.3655
- delta_h 140.582 kJ
-Ag2Se
- Ag2Se + H+ = 2Ag+ + HSe-
- log_k -48.7
- delta_h 265.48 kJ
-NiSe
- NiSe + H+ = Ni+2 + HSe-
- log_k -17.7
- delta_h -0 kJ
-CoSe
- CoSe + H+ = Co+2 + HSe-
- log_k -16.2
- delta_h -0 kJ
-FeSe
- FeSe + H+ = Fe+2 + HSe-
- log_k -11
- delta_h 2.092 kJ
-Ferroselite
- FeSe2 + 2H+ + 2e- = 2HSe- + Fe+2
- log_k -18.5959
- delta_h 47.2792 kJ
-MnSe
- MnSe + H+ = Mn+2 + HSe-
- log_k 3.5
- delta_h -98.15 kJ
-AlSb
- AlSb + 3H2O = Sb(OH)3 + 6e- + Al+3 + 3H+
- log_k 65.6241
- delta_h -0 kJ
-ZnSb
- ZnSb + 3H2O = Sb(OH)3 + 5e- + Zn+2 + 3H+
- log_k 11.0138
- delta_h -54.8773 kJ
-CdSb
- CdSb + 3H2O = Sb(OH)3 + 5e- + 3H+ + Cd+2
- log_k -0.3501
- delta_h 22.36 kJ
-Cu2Sb:3H2O
- Cu2Sb:3H2O = Sb(OH)3 + 6e- + 3H+ + Cu+ + Cu+2
- log_k -34.8827
- delta_h 233.237 kJ
-Cu3Sb
- Cu3Sb + 3H2O = Sb(OH)3 + 6e- + 3H+ + 3Cu+
- log_k -42.5937
- delta_h 308.131 kJ
-#Ag4Sb
-# Ag4Sb + 3H2O = Sb(OH)3 + 6e- + 3Ag+ + 3H+
-# log_k -56.1818
-# delta_h -0 kJ
-Breithauptite
- NiSb + 3H2O = Sb(OH)3 + 5e- + 3H+ + Ni+2
- log_k -18.5225
- delta_h 96.0019 kJ
-MnSb
- MnSb + 3H2O = Mn+3 + Sb(OH)3 + 6e- + 3H+
- log_k -2.9099
- delta_h 21.1083 kJ
-Mn2Sb
- Mn2Sb + 3H2O = 2Mn+2 + Sb(OH)3 + 7e- + 3H+
- log_k 61.0796
- delta_h -0 kJ
-USb2
- USb2 + 8H2O = UO2+2 + 2Sb(OH)3 + 12e- + 10H+
- log_k 29.5771
- delta_h -103.56 kJ
-U3Sb4
- U3Sb4 + 12H2O = 3U+4 + 4Sb(OH)3 + 24e- + 12H+
- log_k 152.383
- delta_h -986.04 kJ
-Mg2Sb3
- Mg2Sb3 + 9H2O = 2Mg+2 + 3Sb(OH)3 + 9H+ + 13e-
- log_k 74.6838
- delta_h -0 kJ
-Ca3Sb2
- Ca3Sb2 + 6H2O = 3Ca+2 + 2Sb(OH)3 + 6H+ + 12e-
- log_k 142.974
- delta_h -732.744 kJ
-NaSb
- NaSb + 3H2O = Na+ + Sb(OH)3 + 3H+ + 4e-
- log_k 23.1658
- delta_h -93.45 kJ
-Na3Sb
- Na3Sb + 3H2O = 3Na+ + Sb(OH)3 + 3H+ + 6e-
- log_k 94.4517
- delta_h -432.13 kJ
-SeO2
- SeO2 + H2O = HSeO3- + H+
- log_k 0.1246
- delta_h 1.4016 kJ
-SeO3
- SeO3 + H2O = SeO4-2 + 2H+
- log_k 21.044
- delta_h -146.377 kJ
-Sb2O5
- Sb2O5 + 7H2O = 2Sb(OH)6- + 2H+
- log_k -9.6674
- delta_h -0 kJ
-SbO2
- SbO2 + 4H2O = Sb(OH)6- + e- + 2H+
- log_k -27.8241
- delta_h -0 kJ
-Sb2O4
- Sb2O4 + 2H2O + 2H+ + 2e- = 2Sb(OH)3
- log_k 3.4021
- delta_h -68.04 kJ
-Sb4O6(cubic)
- Sb4O6 + 6H2O = 4Sb(OH)3
- log_k -18.2612
- delta_h 61.1801 kJ
-Sb4O6(orth)
- Sb4O6 + 6H2O = 4Sb(OH)3
- log_k -17.9012
- delta_h 37.6801 kJ
-Sb(OH)3
- Sb(OH)3 = Sb(OH)3
- log_k -7.1099
- delta_h 30.1248 kJ
-Senarmontite
- Sb2O3 + 3H2O = 2Sb(OH)3
- log_k -12.3654
- delta_h 30.6478 kJ
-Valentinite
- Sb2O3 + 3H2O = 2Sb(OH)3
- log_k -8.4806
- delta_h 19.0163 kJ
-Chalcedony
- SiO2 + 2H2O = H4SiO4
- log_k -3.55
- delta_h 19.7 kJ
-Cristobalite
- SiO2 + 2H2O = H4SiO4
- log_k -3.35
- delta_h 20.006 kJ
-Quartz
- SiO2 + 2H2O = H4SiO4
- log_k -4
- delta_h 22.36 kJ
-SiO2(am-gel)
- SiO2 + 2H2O = H4SiO4
- log_k -2.71
- delta_h 14 kJ
-SiO2(am-ppt)
- SiO2 + 2H2O = H4SiO4
- log_k -2.74
- delta_h 15.15 kJ
-SnO
- SnO + H2O = Sn(OH)2
- log_k -4.9141
- delta_h -0 kJ
-SnO2
- SnO2 + 4H2O = Sn(OH)6-2 + 2H+
- log_k -28.9749
- delta_h -0 kJ
-Sn(OH)2
- Sn(OH)2 = Sn(OH)2
- log_k -5.4309
- delta_h -0 kJ
-Sn(OH)4
- Sn(OH)4 + 2H2O = Sn(OH)6-2 + 2H+
- log_k -22.2808
- delta_h -0 kJ
-H2Sn(OH)6
- H2Sn(OH)6 = Sn(OH)6-2 + 2H+
- log_k -23.5281
- delta_h -0 kJ
-Massicot
- PbO + 2H+ = Pb+2 + H2O
- log_k 12.894
- delta_h -66.848 kJ
-Litharge
- PbO + 2H+ = Pb+2 + H2O
- log_k 12.694
- delta_h -65.501 kJ
-PbO:0.3H2O
- PbO:0.33H2O + 2H+ = Pb+2 + 1.33H2O
- log_k 12.98
- delta_h -0 kJ
-Plattnerite
- PbO2 + 4H+ + 2e- = Pb+2 + 2H2O
- log_k 49.6001
- delta_h -296.27 kJ
-Pb(OH)2
- Pb(OH)2 + 2H+ = Pb+2 + 2H2O
- log_k 8.15
- delta_h -58.5342 kJ
-Pb2O(OH)2
- Pb2O(OH)2 + 4H+ = 2Pb+2 + 3H2O
- log_k 26.188
- delta_h -0 kJ
-Al(OH)3(am)
- Al(OH)3 + 3H+ = Al+3 + 3H2O
- log_k 10.8
- delta_h -111 kJ
-Boehmite
- AlOOH + 3H+ = Al+3 + 2H2O
- log_k 8.578
- delta_h -117.696 kJ
-Diaspore
- AlOOH + 3H+ = Al+3 + 2H2O
- log_k 6.873
- delta_h -103.052 kJ
-Gibbsite
- Al(OH)3 + 3H+ = Al+3 + 3H2O
- log_k 8.291
- delta_h -95.3952 kJ
-Tl2O
- Tl2O + 2H+ = 2Tl+ + H2O
- log_k 27.0915
- delta_h -96.41 kJ
-TlOH
- TlOH + H+ = Tl+ + H2O
- log_k 12.9186
- delta_h -41.57 kJ
-Avicennite
- Tl2O3 + 3H2O = 2Tl(OH)3
- log_k -13
- delta_h -0 kJ
-Tl(OH)3
- Tl(OH)3 = Tl(OH)3
- log_k -5.441
- delta_h -0 kJ
-Zn(OH)2(am)
- Zn(OH)2 + 2H+ = Zn+2 + 2H2O
- log_k 12.474
- delta_h -80.62 kJ
-Zn(OH)2
- Zn(OH)2 + 2H+ = Zn+2 + 2H2O
- log_k 12.2
- delta_h -0 kJ
-Zn(OH)2(beta)
- Zn(OH)2 + 2H+ = Zn+2 + 2H2O
- log_k 11.754
- delta_h -83.14 kJ
-Zn(OH)2(gamma)
- Zn(OH)2 + 2H+ = Zn+2 + 2H2O
- log_k 11.734
- delta_h -0 kJ
-Zn(OH)2(epsilon)
- Zn(OH)2 + 2H+ = Zn+2 + 2H2O
- log_k 11.534
- delta_h -81.8 kJ
-ZnO(active)
- ZnO + 2H+ = Zn+2 + H2O
- log_k 11.1884
- delta_h -88.76 kJ
-Zincite
- ZnO + 2H+ = Zn+2 + H2O
- log_k 11.334
- delta_h -89.62 kJ
-Cd(OH)2(am)
- Cd(OH)2 + 2H+ = Cd+2 + 2H2O
- log_k 13.73
- delta_h -86.9017 kJ
-Cd(OH)2
- Cd(OH)2 + 2H+ = Cd+2 + 2H2O
- log_k 13.644
- delta_h -94.62 kJ
-Monteponite
- CdO + 2H+ = Cd+2 + H2O
- log_k 15.1034
- delta_h -103.4 kJ
-Hg2(OH)2
- Hg2(OH)2 + 2H+ = Hg2+2 + 2H2O
- log_k 5.2603
- delta_h -0 kJ
-Montroydite
- HgO + H2O = Hg(OH)2
- log_k -3.64
- delta_h -38.9 kJ
-Hg(OH)2
- Hg(OH)2 = Hg(OH)2
- log_k -3.4963
- delta_h -0 kJ
-Cuprite
- Cu2O + 2H+ = 2Cu+ + H2O
- log_k -1.406
- delta_h -124.02 kJ
-Cu(OH)2
- Cu(OH)2 + 2H+ = Cu+2 + 2H2O
- log_k 8.674
- delta_h -56.42 kJ
-Tenorite
- CuO + 2H+ = Cu+2 + H2O
- log_k 7.644
- delta_h -64.867 kJ
-Ag2O
- Ag2O + 2H+ = 2Ag+ + H2O
- log_k 12.574
- delta_h -45.62 kJ
-Ni(OH)2
- Ni(OH)2 + 2H+ = Ni+2 + 2H2O
- log_k 12.794
- delta_h -95.96 kJ
-Bunsenite
- NiO + 2H+ = Ni+2 + H2O
- log_k 12.4456
- delta_h -100.13 kJ
-CoO
- CoO + 2H+ = Co+2 + H2O
- log_k 13.5864
- delta_h -106.295 kJ
-Co(OH)2
- Co(OH)2 + 2H+ = Co+2 + 2H2O
- log_k 13.094
- delta_h -0 kJ
-Co(OH)3
- Co(OH)3 + 3H+ = Co+3 + 3H2O
- log_k -2.309
- delta_h -92.43 kJ
-#Wustite-0.11
-# WUSTITE-0.11 + 2H+ = 0.947Fe+2 + H2O
-# log_k 11.6879
-# delta_h -103.938 kJ
-Fe(OH)2
- Fe(OH)2 + 2H+ = Fe+2 + 2H2O
- log_k 13.564
- delta_h -0 kJ
-Ferrihydrite
- Fe(OH)3 + 3H+ = Fe+3 + 3H2O
- log_k 3.191
- delta_h -73.374 kJ
-Fe3(OH)8
- Fe3(OH)8 + 8H+ = 2Fe+3 + Fe+2 + 8H2O
- log_k 20.222
- delta_h -0 kJ
-Goethite
- FeOOH + 3H+ = Fe+3 + 2H2O
- log_k 0.491
- delta_h -60.5843 kJ
-Pyrolusite
- MnO2 + 4H+ + 2e- = Mn+2 + 2H2O
- log_k 41.38
- delta_h -272 kJ
-Birnessite
- MnO2 + 4H+ + e- = Mn+3 + 2H2O
- log_k 18.091
- delta_h -0 kJ
-Nsutite
- MnO2 + 4H+ + e- = Mn+3 + 2H2O
- log_k 17.504
- delta_h -0 kJ
-Pyrochroite
- Mn(OH)2 + 2H+ = Mn+2 + 2H2O
- log_k 15.194
- delta_h -97.0099 kJ
-Manganite
- MnOOH + 3H+ + e- = Mn+2 + 2H2O
- log_k 25.34
- delta_h -0 kJ
-Cr(OH)2
- Cr(OH)2 + 2H+ = Cr+2 + 2H2O
- log_k 10.8189
- delta_h -35.6058 kJ
-Cr(OH)3(am)
- Cr(OH)3 + H+ = Cr(OH)2+ + H2O
- log_k -0.75
- delta_h -0 kJ
-Cr(OH)3
- Cr(OH)3 + H+ = Cr(OH)2+ + H2O
- log_k 1.3355
- delta_h -29.7692 kJ
-CrO3
- CrO3 + H2O = CrO4-2 + 2H+
- log_k -3.2105
- delta_h -5.2091 kJ
-MoO3
- MoO3 + H2O = MoO4-2 + 2H+
- log_k -8
- delta_h -0 kJ
-VO
- VO + 2H+ = V+3 + H2O + e-
- log_k 14.7563
- delta_h -113.041 kJ
-V(OH)3
- V(OH)3 + 3H+ = V+3 + 3H2O
- log_k 7.591
- delta_h -0 kJ
-VO(OH)2
- VO(OH)2 + 2H+ = VO+2 + 2H2O
- log_k 5.1506
- delta_h -0 kJ
-Uraninite
- UO2 + 4H+ = U+4 + 2H2O
- log_k -4.6693
- delta_h -77.86 kJ
-UO2(am)
- UO2 + 4H+ = U+4 + 2H2O
- log_k 0.934
- delta_h -109.746 kJ
-UO3
- UO3 + 2H+ = UO2+2 + H2O
- log_k 7.7
- delta_h -81.0299 kJ
-Gummite
- UO3 + 2H+ = UO2+2 + H2O
- log_k 7.6718
- delta_h -81.0299 kJ
-UO2(OH)2(beta)
- UO2(OH)2 + 2H+ = UO2+2 + 2H2O
- log_k 5.6116
- delta_h -56.7599 kJ
-Schoepite
- UO2(OH)2:H2O + 2H+ = UO2+2 + 3H2O
- log_k 5.994
- delta_h -49.79 kJ
-Be(OH)2(am)
- Be(OH)2 + 2H+ = Be+2 + 2H2O
- log_k 7.194
- delta_h -0 kJ
-Be(OH)2(alpha)
- Be(OH)2 + 2H+ = Be+2 + 2H2O
- log_k 6.894
- delta_h -0 kJ
-Be(OH)2(beta)
- Be(OH)2 + 2H+ = Be+2 + 2H2O
- log_k 6.494
- delta_h -0 kJ
-Brucite
- Mg(OH)2 + 2H+ = Mg+2 + 2H2O
- log_k 16.844
- delta_h -113.996 kJ
-Periclase
- MgO + 2H+ = Mg+2 + H2O
- log_k 21.5841
- delta_h -151.23 kJ
-Mg(OH)2(active)
- Mg(OH)2 + 2H+ = Mg+2 + 2H2O
- log_k 18.794
- delta_h -0 kJ
-Lime
- CaO + 2H+ = Ca+2 + H2O
- log_k 32.6993
- delta_h -193.91 kJ
-Portlandite
- Ca(OH)2 + 2H+ = Ca+2 + 2H2O
- log_k 22.804
- delta_h -128.62 kJ
-Ba(OH)2:8H2O
- Ba(OH)2:8H2O + 2H+ = Ba+2 + 10H2O
- log_k 24.394
- delta_h -54.32 kJ
-Cu(SbO3)2
- Cu(SbO3)2 + 6H+ + 4e- = 2Sb(OH)3 + Cu+2
- log_k 45.2105
- delta_h -0 kJ
-Arsenolite
- As4O6 + 6H2O = 4H3AsO3
- log_k -2.76
- delta_h 59.9567 kJ
-Claudetite
- As4O6 + 6H2O = 4H3AsO3
- log_k -3.065
- delta_h 55.6054 kJ
-As2O5
- As2O5 + 3H2O = 2H3AsO4
- log_k 6.7061
- delta_h -22.64 kJ
-Pb2O3
- Pb2O3 + 6H+ + 2e- = 2Pb+2 + 3H2O
- log_k 61.04
- delta_h -0 kJ
-Minium
- Pb3O4 + 8H+ + 2e- = 3Pb+2 + 4H2O
- log_k 73.5219
- delta_h -421.874 kJ
-Al2O3
- Al2O3 + 6H+ = 2Al+3 + 3H2O
- log_k 19.6524
- delta_h -258.59 kJ
-Co3O4
- Co3O4 + 8H+ = Co+2 + 2Co+3 + 4H2O
- log_k -10.4956
- delta_h -107.5 kJ
-CoFe2O4
- CoFe2O4 + 8H+ = Co+2 + 2Fe+3 + 4H2O
- log_k -3.5281
- delta_h -158.82 kJ
-Magnetite
- Fe3O4 + 8H+ = 2Fe+3 + Fe+2 + 4H2O
- log_k 3.4028
- delta_h -208.526 kJ
-Hercynite
- FeAl2O4 + 8H+ = Fe+2 + 2Al+3 + 4H2O
- log_k 22.893
- delta_h -313.92 kJ
-Hematite
- Fe2O3 + 6H+ = 2Fe+3 + 3H2O
- log_k -1.418
- delta_h -128.987 kJ
-Maghemite
- Fe2O3 + 6H+ = 2Fe+3 + 3H2O
- log_k 6.386
- delta_h -0 kJ
-Lepidocrocite
- FeOOH + 3H+ = Fe+3 + 2H2O
- log_k 1.371
- delta_h -0 kJ
-Hausmannite
- Mn3O4 + 8H+ + 2e- = 3Mn+2 + 4H2O
- log_k 61.03
- delta_h -421 kJ
-Bixbyite
- Mn2O3 + 6H+ = 2Mn+3 + 3H2O
- log_k -0.6445
- delta_h -124.49 kJ
-Cr2O3
- Cr2O3 + H2O + 2H+ = 2Cr(OH)2+
- log_k -2.3576
- delta_h -50.731 kJ
-#V2O3
-# V2O3 + 3H+ = V+3 + 1.5H2O
-# log_k 4.9
-# delta_h -82.5085 kJ
-V3O5
- V3O5 + 4H+ = 3VO+2 + 2H2O + 2e-
- log_k 1.8361
- delta_h -98.46 kJ
-#V2O4
-# V2O4 + 2H+ = VO+2 + H2O
-# log_k 4.27
-# delta_h -58.8689 kJ
-V4O7
- V4O7 + 6H+ = 4VO+2 + 3H2O + 2e-
- log_k 7.1865
- delta_h -163.89 kJ
-V6O13
- V6O13 + 2H+ = 6VO2+ + H2O + 4e-
- log_k -60.86
- delta_h 271.5 kJ
-V2O5
- V2O5 + 2H+ = 2VO2+ + H2O
- log_k -1.36
- delta_h 34 kJ
-U4O9
- U4O9 + 18H+ + 2e- = 4U+4 + 9H2O
- log_k -3.0198
- delta_h -426.87 kJ
-U3O8
- U3O8 + 16H+ + 4e- = 3U+4 + 8H2O
- log_k 21.0834
- delta_h -485.44 kJ
-Spinel
- MgAl2O4 + 8H+ = Mg+2 + 2Al+3 + 4H2O
- log_k 36.8476
- delta_h -388.012 kJ
-Magnesioferrite
- Fe2MgO4 + 8H+ = Mg+2 + 2Fe+3 + 4H2O
- log_k 16.8597
- delta_h -278.92 kJ
-Natron
- Na2CO3:10H2O = 2Na+ + CO3-2 + 10H2O
- log_k -1.311
- delta_h 65.8771 kJ
-Cuprousferrite
- CuFeO2 + 4H+ = Cu+ + Fe+3 + 2H2O
- log_k -8.9171
- delta_h -15.89 kJ
-Cupricferrite
- CuFe2O4 + 8H+ = Cu+2 + 2Fe+3 + 4H2O
- log_k 5.9882
- delta_h -210.21 kJ
-FeCr2O4
- FeCr2O4 + 4H+ = 2Cr(OH)2+ + Fe+2
- log_k 7.2003
- delta_h -140.4 kJ
-MgCr2O4
- MgCr2O4 + 4H+ = 2Cr(OH)2+ + Mg+2
- log_k 16.2007
- delta_h -179.4 kJ
-SbF3
- SbF3 + 3H2O = Sb(OH)3 + 3H+ + 3F-
- log_k -10.2251
- delta_h -6.7279 kJ
-PbF2
- PbF2 = Pb+2 + 2F-
- log_k -7.44
- delta_h 20 kJ
-ZnF2
- ZnF2 = Zn+2 + 2F-
- log_k -0.5343
- delta_h -59.69 kJ
-CdF2
- CdF2 = Cd+2 + 2F-
- log_k -1.2124
- delta_h -46.22 kJ
-Hg2F2
- Hg2F2 = Hg2+2 + 2F-
- log_k -10.3623
- delta_h -18.486 kJ
-CuF
- CuF = Cu+ + F-
- log_k -4.9056
- delta_h 16.648 kJ
-CuF2
- CuF2 = Cu+2 + 2F-
- log_k 1.115
- delta_h -66.901 kJ
-CuF2:2H2O
- CuF2:2H2O = Cu+2 + 2F- + 2H2O
- log_k -4.55
- delta_h -15.2716 kJ
-AgF:4H2O
- AgF:4H2O = Ag+ + F- + 4H2O
- log_k 1.0491
- delta_h 15.4202 kJ
-CoF2
- CoF2 = Co+2 + 2F-
- log_k -1.5969
- delta_h -57.368 kJ
-CoF3
- CoF3 = Co+3 + 3F-
- log_k -1.4581
- delta_h -123.692 kJ
-CrF3
- CrF3 + 2H2O = Cr(OH)2+ + 3F- + 2H+
- log_k -11.3367
- delta_h -23.3901 kJ
-VF4
- VF4 + H2O = VO+2 + 4F- + 2H+
- log_k 14.93
- delta_h -199.117 kJ
-UF4
- UF4 = U+4 + 4F-
- log_k -29.5371
- delta_h -79.0776 kJ
-UF4:2.5H2O
- UF4:2.5H2O = U+4 + 4F- + 2.5H2O
- log_k -32.7179
- delta_h 24.325 kJ
-MgF2
- MgF2 = Mg+2 + 2F-
- log_k -8.13
- delta_h -8 kJ
-Fluorite
- CaF2 = Ca+2 + 2F-
- log_k -10.5
- delta_h 8 kJ
-SrF2
- SrF2 = Sr+2 + 2F-
- log_k -8.58
- delta_h 4 kJ
-BaF2
- BaF2 = Ba+2 + 2F-
- log_k -5.82
- delta_h 4 kJ
-Cryolite
- Na3AlF6 = 3Na+ + Al+3 + 6F-
- log_k -33.84
- delta_h 38 kJ
-SbCl3
- SbCl3 + 3H2O = Sb(OH)3 + 3Cl- + 3H+
- log_k 0.5719
- delta_h -35.18 kJ
-SnCl2
- SnCl2 + 2H2O = Sn(OH)2 + 2H+ + 2Cl-
- log_k -9.2752
- delta_h -0 kJ
-Cotunnite
- PbCl2 = Pb+2 + 2Cl-
- log_k -4.78
- delta_h 26.166 kJ
-Matlockite
- PbClF = Pb+2 + Cl- + F-
- log_k -8.9733
- delta_h 33.19 kJ
-Phosgenite
- PbCl2:PbCO3 = 2Pb+2 + 2Cl- + CO3-2
- log_k -19.81
- delta_h -0 kJ
-Laurionite
- PbOHCl + H+ = Pb+2 + Cl- + H2O
- log_k 0.623
- delta_h -0 kJ
-Pb2(OH)3Cl
- Pb2(OH)3Cl + 3H+ = 2Pb+2 + 3H2O + Cl-
- log_k 8.793
- delta_h -0 kJ
-TlCl
- TlCl = Tl+ + Cl-
- log_k -3.74
- delta_h 41 kJ
-ZnCl2
- ZnCl2 = Zn+2 + 2Cl-
- log_k 7.05
- delta_h -72.5 kJ
-Zn2(OH)3Cl
- Zn2(OH)3Cl + 3H+ = 2Zn+2 + 3H2O + Cl-
- log_k 15.191
- delta_h -0 kJ
-Zn5(OH)8Cl2
- Zn5(OH)8Cl2 + 8H+ = 5Zn+2 + 8H2O + 2Cl-
- log_k 38.5
- delta_h -0 kJ
-CdCl2
- CdCl2 = Cd+2 + 2Cl-
- log_k -0.6588
- delta_h -18.58 kJ
-CdCl2:1H2O
- CdCl2:1H2O = Cd+2 + 2Cl- + H2O
- log_k -1.6932
- delta_h -7.47 kJ
-CdCl2:2.5H2O
- CdCl2:2.5H2O = Cd+2 + 2Cl- + 2.5H2O
- log_k -1.913
- delta_h 7.2849 kJ
-CdOHCl
- CdOHCl + H+ = Cd+2 + H2O + Cl-
- log_k 3.5373
- delta_h -30.93 kJ
-Calomel
- Hg2Cl2 = Hg2+2 + 2Cl-
- log_k -17.91
- delta_h 92 kJ
-HgCl2
- HgCl2 + 2H2O = Hg(OH)2 + 2Cl- + 2H+
- log_k -21.2621
- delta_h 107.82 kJ
-Nantokite
- CuCl = Cu+ + Cl-
- log_k -6.73
- delta_h 42.662 kJ
-Melanothallite
- CuCl2 = Cu+2 + 2Cl-
- log_k 6.2572
- delta_h -63.407 kJ
-Atacamite
- Cu2(OH)3Cl + 3H+ = 2Cu+2 + 3H2O + Cl-
- log_k 7.391
- delta_h -93.43 kJ
-Cerargyrite
- AgCl = Ag+ + Cl-
- log_k -9.75
- delta_h 65.2 kJ
-CoCl2
- CoCl2 = Co+2 + 2Cl-
- log_k 8.2672
- delta_h -79.815 kJ
-CoCl2:6H2O
- CoCl2:6H2O = Co+2 + 2Cl- + 6H2O
- log_k 2.5365
- delta_h 8.0598 kJ
-(Co(NH3)6)Cl3
- (Co(NH3)6)Cl3 + 6H+ = Co+3 + 6NH4+ + 3Cl-
- log_k 20.0317
- delta_h -33.1 kJ
-(Co(NH3)5OH2)Cl3
- (Co(NH3)5OH2)Cl3 + 5H+ = Co+3 + 5NH4+ + 3Cl- + H2O
- log_k 11.7351
- delta_h -25.37 kJ
-(Co(NH3)5Cl)Cl2
- (Co(NH3)5Cl)Cl2 + 5H+ = Co+3 + 5NH4+ + 3Cl-
- log_k 4.5102
- delta_h -10.74 kJ
-Fe(OH)2.7Cl.3
- Fe(OH)2.7Cl.3 + 2.7H+ = Fe+3 + 2.7H2O + 0.3Cl-
- log_k -3.04
- delta_h -0 kJ
-MnCl2:4H2O
- MnCl2:4H2O = Mn+2 + 2Cl- + 4H2O
- log_k 2.7151
- delta_h -10.83 kJ
-CrCl2
- CrCl2 = Cr+2 + 2Cl-
- log_k 14.0917
- delta_h -110.76 kJ
-CrCl3
- CrCl3 + 2H2O = Cr(OH)2+ + 3Cl- + 2H+
- log_k 15.1145
- delta_h -121.08 kJ
-VCl2
- VCl2 = V+3 + 2Cl- + e-
- log_k 18.8744
- delta_h -141.16 kJ
-VCl3
- VCl3 = V+3 + 3Cl-
- log_k 23.4326
- delta_h -179.54 kJ
-VOCl
- VOCl + 2H+ = V+3 + Cl- + H2O
- log_k 11.1524
- delta_h -104.91 kJ
-VOCl2
- VOCl2 = VO+2 + 2Cl-
- log_k 12.7603
- delta_h -117.76 kJ
-VO2Cl
- VO2Cl = VO2+ + Cl-
- log_k 2.8413
- delta_h -40.28 kJ
-Halite
- NaCl = Na+ + Cl-
- log_k 1.6025
- delta_h 3.7 kJ
-SbBr3
- SbBr3 + 3H2O = Sb(OH)3 + 3Br- + 3H+
- log_k 0.9689
- delta_h -20.94 kJ
-SnBr2
- SnBr2 + 2H2O = Sn(OH)2 + 2H+ + 2Br-
- log_k -9.5443
- delta_h -0 kJ
-SnBr4
- SnBr4 + 6H2O = Sn(OH)6-2 + 6H+ + 4Br-
- log_k -28.8468
- delta_h -0 kJ
-PbBr2
- PbBr2 = Pb+2 + 2Br-
- log_k -5.3
- delta_h 35.499 kJ
-PbBrF
- PbBrF = Pb+2 + Br- + F-
- log_k -8.49
- delta_h -0 kJ
-TlBr
- TlBr = Tl+ + Br-
- log_k -5.44
- delta_h 54 kJ
-ZnBr2:2H2O
- ZnBr2:2H2O = Zn+2 + 2Br- + 2H2O
- log_k 5.2005
- delta_h -30.67 kJ
-CdBr2:4H2O
- CdBr2:4H2O = Cd+2 + 2Br- + 4H2O
- log_k -2.425
- delta_h 30.5001 kJ
-Hg2Br2
- Hg2Br2 = Hg2+2 + 2Br-
- log_k -22.25
- delta_h 133 kJ
-HgBr2
- HgBr2 + 2H2O = Hg(OH)2 + 2Br- + 2H+
- log_k -25.2734
- delta_h 138.492 kJ
-CuBr
- CuBr = Cu+ + Br-
- log_k -8.3
- delta_h 54.86 kJ
-Cu2(OH)3Br
- Cu2(OH)3Br + 3H+ = 2Cu+2 + 3H2O + Br-
- log_k 7.9085
- delta_h -93.43 kJ
-Bromyrite
- AgBr = Ag+ + Br-
- log_k -12.3
- delta_h 84.5 kJ
-(Co(NH3)6)Br3
- (Co(NH3)6)Br3 + 6H+ = Co+3 + 6NH4+ + 3Br-
- log_k 18.3142
- delta_h -21.1899 kJ
-(Co(NH3)5Cl)Br2
- (Co(NH3)5Cl)Br2 + 5H+ = Co+3 + 5NH4+ + Cl- + 2Br-
- log_k 5.0295
- delta_h -6.4 kJ
-CrBr3
- CrBr3 + 2H2O = Cr(OH)2+ + 3Br- + 2H+
- log_k 19.9086
- delta_h -141.323 kJ
-AsI3
- AsI3 + 3H2O = H3AsO3 + 3I- + 3H+
- log_k 4.2307
- delta_h 3.15 kJ
-SbI3
- SbI3 + 3H2O = Sb(OH)3 + 3H+ + 3I-
- log_k -0.538
- delta_h 13.5896 kJ
-PbI2
- PbI2 = Pb+2 + 2I-
- log_k -8.1
- delta_h 62 kJ
-TlI
- TlI = Tl+ + I-
- log_k -7.23
- delta_h 75 kJ
-ZnI2
- ZnI2 = Zn+2 + 2I-
- log_k 7.3055
- delta_h -58.92 kJ
-CdI2
- CdI2 = Cd+2 + 2I-
- log_k -3.5389
- delta_h 13.82 kJ
-Hg2I2
- Hg2I2 = Hg2+2 + 2I-
- log_k -28.34
- delta_h 163 kJ
-Coccinite
- HgI2 + 2H2O = Hg(OH)2 + 2H+ + 2I-
- log_k -34.9525
- delta_h 210.72 kJ
-HgI2:2NH3
- HgI2:2NH3 + 2H2O = Hg(OH)2 + 2I- + 2NH4+
- log_k -16.2293
- delta_h 132.18 kJ
-HgI2:6NH3
- HgI2:6NH3 + 2H2O + 4H+ = Hg(OH)2 + 2I- + 6NH4+
- log_k 33.7335
- delta_h -90.3599 kJ
-CuI
- CuI = Cu+ + I-
- log_k -12
- delta_h 82.69 kJ
-Iodyrite
- AgI = Ag+ + I-
- log_k -16.08
- delta_h 110 kJ
-(Co(NH3)6)I3
- (Co(NH3)6)I3 + 6H+ = Co+3 + 6NH4+ + 3I-
- log_k 16.5831
- delta_h -9.6999 kJ
-(Co(NH3)5Cl)I2
- (Co(NH3)5Cl)I2 + 5H+ = Co+3 + 5NH4+ + Cl- + 2I-
- log_k 5.5981
- delta_h 0.66 kJ
-CrI3
- CrI3 + 2H2O = Cr(OH)2+ + 3I- + 2H+
- log_k 20.4767
- delta_h -134.419 kJ
-Cerussite
- PbCO3 = Pb+2 + CO3-2
- log_k -13.13
- delta_h 24.79 kJ
-Pb2OCO3
- Pb2OCO3 + 2H+ = 2Pb+2 + H2O + CO3-2
- log_k -0.5578
- delta_h -40.8199 kJ
-Pb3O2CO3
- Pb3O2CO3 + 4H+ = 3Pb+2 + CO3-2 + 2H2O
- log_k 11.02
- delta_h -110.583 kJ
-Hydrocerussite
- Pb3(OH)2(CO3)2 + 2H+ = 3Pb+2 + 2H2O + 2CO3-2
- log_k -18.7705
- delta_h -0 kJ
-Pb10(OH)6O(CO3)6
- Pb10(OH)6O(CO3)6 + 8H+ = 10Pb+2 + 6CO3-2 + 7H2O
- log_k -8.76
- delta_h -0 kJ
-Tl2CO3
- Tl2CO3 = 2Tl+ + CO3-2
- log_k -3.8367
- delta_h 35.49 kJ
-Smithsonite
- ZnCO3 = Zn+2 + CO3-2
- log_k -10
- delta_h -15.84 kJ
-ZnCO3:1H2O
- ZnCO3:1H2O = Zn+2 + CO3-2 + H2O
- log_k -10.26
- delta_h -0 kJ
-Otavite
- CdCO3 = Cd+2 + CO3-2
- log_k -12
- delta_h -0.55 kJ
-Hg2CO3
- Hg2CO3 = Hg2+2 + CO3-2
- log_k -16.05
- delta_h 45.14 kJ
-Hg3O2CO3
- Hg3O2CO3 + 4H2O = 3Hg(OH)2 + 2H+ + CO3-2
- log_k -29.682
- delta_h -0 kJ
-CuCO3
- CuCO3 = Cu+2 + CO3-2
- log_k -11.5
- delta_h -0 kJ
-Malachite
- Cu2(OH)2CO3 + 2H+ = 2Cu+2 + 2H2O + CO3-2
- log_k -5.306
- delta_h 76.38 kJ
-Azurite
- Cu3(OH)2(CO3)2 + 2H+ = 3Cu+2 + 2H2O + 2CO3-2
- log_k -16.906
- delta_h -95.22 kJ
-Ag2CO3
- Ag2CO3 = 2Ag+ + CO3-2
- log_k -11.09
- delta_h 42.15 kJ
-NiCO3
- NiCO3 = Ni+2 + CO3-2
- log_k -6.87
- delta_h -41.589 kJ
-CoCO3
- CoCO3 = Co+2 + CO3-2
- log_k -9.98
- delta_h -12.7612 kJ
-Siderite
- FeCO3 = Fe+2 + CO3-2
- log_k -10.24
- delta_h -16 kJ
-Rhodochrosite
- MnCO3 = Mn+2 + CO3-2
- log_k -10.58
- delta_h -1.88 kJ
-Rutherfordine
- UO2CO3 = UO2+2 + CO3-2
- log_k -14.5
- delta_h -3.03 kJ
-Artinite
- MgCO3:Mg(OH)2:3H2O + 2H+ = 2Mg+2 + CO3-2 + 5H2O
- log_k 9.6
- delta_h -120.257 kJ
-Hydromagnesite
- Mg5(CO3)4(OH)2:4H2O + 2H+ = 5Mg+2 + 4CO3-2 + 6H2O
- log_k -8.766
- delta_h -218.447 kJ
-Magnesite
- MgCO3 = Mg+2 + CO3-2
- log_k -7.46
- delta_h 20 kJ
-Nesquehonite
- MgCO3:3H2O = Mg+2 + CO3-2 + 3H2O
- log_k -4.67
- delta_h -24.2212 kJ
-Aragonite
- CaCO3 = Ca+2 + CO3-2
- log_k -8.3
- delta_h -12 kJ
-Calcite
- CaCO3 = Ca+2 + CO3-2
- log_k -8.48
- delta_h -8 kJ
-Dolomite(ordered)
- CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2
- log_k -17.09
- delta_h -39.5 kJ
-Dolomite(disordered)
- CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2
- log_k -16.54
- delta_h -46.4 kJ
-Huntite
- CaMg3(CO3)4 = 3Mg+2 + Ca+2 + 4CO3-2
- log_k -29.968
- delta_h -107.78 kJ
-Strontianite
- SrCO3 = Sr+2 + CO3-2
- log_k -9.27
- delta_h -0 kJ
-Witherite
- BaCO3 = Ba+2 + CO3-2
- log_k -8.57
- delta_h 4 kJ
-Thermonatrite
- Na2CO3:H2O = 2Na+ + CO3-2 + H2O
- log_k 0.637
- delta_h -10.4799 kJ
-TlNO3
- TlNO3 = Tl+ + NO3-
- log_k -1.6127
- delta_h 42.44 kJ
-Zn(NO3)2:6H2O
- Zn(NO3)2:6H2O = Zn+2 + 2NO3- + 6H2O
- log_k 3.3153
- delta_h 24.5698 kJ
-Cu2(OH)3NO3
- Cu2(OH)3NO3 + 3H+ = 2Cu+2 + 3H2O + NO3-
- log_k 9.251
- delta_h -72.5924 kJ
-(Co(NH3)6)(NO3)3
- (Co(NH3)6)(NO3)3 + 6H+ = Co+3 + 6NH4+ + 3NO3-
- log_k 17.9343
- delta_h 1.59 kJ
-(Co(NH3)5Cl)(NO3)2
- (Co(NH3)5Cl)(NO3)2 + 5H+ = Co+3 + 5NH4+ + Cl- + 2NO3-
- log_k 6.2887
- delta_h 6.4199 kJ
-UO2(NO3)2
- UO2(NO3)2 = UO2+2 + 2NO3-
- log_k 12.1476
- delta_h -83.3999 kJ
-UO2(NO3)2:2H2O
- UO2(NO3)2:2H2O = UO2+2 + 2NO3- + 2H2O
- log_k 4.851
- delta_h -25.355 kJ
-UO2(NO3)2:3H2O
- UO2(NO3)2:3H2O = UO2+2 + 2NO3- + 3H2O
- log_k 3.39
- delta_h -9.1599 kJ
-UO2(NO3)2:6H2O
- UO2(NO3)2:6H2O = UO2+2 + 2NO3- + 6H2O
- log_k 2.0464
- delta_h 20.8201 kJ
-Pb(BO2)2
- Pb(BO2)2 + 2H2O + 2H+ = Pb+2 + 2H3BO3
- log_k 6.5192
- delta_h -15.6119 kJ
-Zn(BO2)2
- Zn(BO2)2 + 2H2O + 2H+ = Zn+2 + 2H3BO3
- log_k 8.29
- delta_h -0 kJ
-Cd(BO2)2
- Cd(BO2)2 + 2H2O + 2H+ = Cd+2 + 2H3BO3
- log_k 9.84
- delta_h -0 kJ
-Co(BO2)2
- Co(BO2)2 + 2H2O + 2H+ = Co+2 + 2H3BO3
- log_k 27.0703
- delta_h -0 kJ
-SnSO4
- SnSO4 + 2H2O = Sn(OH)2 + 2H+ + SO4-2
- log_k -56.9747
- delta_h -0 kJ
-Sn(SO4)2
- Sn(SO4)2 + 6H2O = Sn(OH)6-2 + 6H+ + 2SO4-2
- log_k -15.2123
- delta_h -0 kJ
-Larnakite
- PbO:PbSO4 + 2H+ = 2Pb+2 + SO4-2 + H2O
- log_k -0.4344
- delta_h -21.83 kJ
-Pb3O2SO4
- Pb3O2SO4 + 4H+ = 3Pb+2 + SO4-2 + 2H2O
- log_k 10.6864
- delta_h -79.14 kJ
-Pb4O3SO4
- Pb4O3SO4 + 6H+ = 4Pb+2 + SO4-2 + 3H2O
- log_k 21.8772
- delta_h -136.45 kJ
-Anglesite
- PbSO4 = Pb+2 + SO4-2
- log_k -7.79
- delta_h 12 kJ
-Pb4(OH)6SO4
- Pb4(OH)6SO4 + 6H+ = 4Pb+2 + SO4-2 + 6H2O
- log_k 21.1
- delta_h -0 kJ
-AlOHSO4
- AlOHSO4 + H+ = Al+3 + SO4-2 + H2O
- log_k -3.23
- delta_h -0 kJ
-Al4(OH)10SO4
- Al4(OH)10SO4 + 10H+ = 4Al+3 + SO4-2 + 10H2O
- log_k 22.7
- delta_h -0 kJ
-Tl2SO4
- Tl2SO4 = 2Tl+ + SO4-2
- log_k -3.7868
- delta_h 33.1799 kJ
-Zn2(OH)2SO4
- Zn2(OH)2SO4 + 2H+ = 2Zn+2 + 2H2O + SO4-2
- log_k 7.5
- delta_h -0 kJ
-Zn4(OH)6SO4
- Zn4(OH)6SO4 + 6H+ = 4Zn+2 + 6H2O + SO4-2
- log_k 28.4
- delta_h -0 kJ
-Zn3O(SO4)2
- Zn3O(SO4)2 + 2H+ = 3Zn+2 + 2SO4-2 + H2O
- log_k 18.9135
- delta_h -258.08 kJ
-Zincosite
- ZnSO4 = Zn+2 + SO4-2
- log_k 3.9297
- delta_h -82.586 kJ
-ZnSO4:1H2O
- ZnSO4:1H2O = Zn+2 + SO4-2 + H2O
- log_k -0.638
- delta_h -44.0699 kJ
-Bianchite
- ZnSO4:6H2O = Zn+2 + SO4-2 + 6H2O
- log_k -1.765
- delta_h -0.6694 kJ
-Goslarite
- ZnSO4:7H2O = Zn+2 + SO4-2 + 7H2O
- log_k -2.0112
- delta_h 14.21 kJ
-Cd3(OH)4SO4
- Cd3(OH)4SO4 + 4H+ = 3Cd+2 + 4H2O + SO4-2
- log_k 22.56
- delta_h -0 kJ
-Cd3(OH)2(SO4)2
- Cd3(OH)2(SO4)2 + 2H+ = 3Cd+2 + 2H2O + 2SO4-2
- log_k 6.71
- delta_h -0 kJ
-Cd4(OH)6SO4
- Cd4(OH)6SO4 + 6H+ = 4Cd+2 + 6H2O + SO4-2
- log_k 28.4
- delta_h -0 kJ
-CdSO4
- CdSO4 = Cd+2 + SO4-2
- log_k -0.1722
- delta_h -51.98 kJ
-CdSO4:1H2O
- CdSO4:1H2O = Cd+2 + SO4-2 + H2O
- log_k -1.7261
- delta_h -31.5399 kJ
-CdSO4:2.67H2O
- CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67H2O
- log_k -1.873
- delta_h -17.9912 kJ
-Hg2SO4
- Hg2SO4 = Hg2+2 + SO4-2
- log_k -6.13
- delta_h 5.4 kJ
-HgSO4
- HgSO4 + 2H2O = Hg(OH)2 + SO4-2 + 2H+
- log_k -9.4189
- delta_h 14.6858 kJ
-Cu2SO4
- Cu2SO4 = 2Cu+ + SO4-2
- log_k -1.95
- delta_h -19.079 kJ
-Antlerite
- Cu3(OH)4SO4 + 4H+ = 3Cu+2 + 4H2O + SO4-2
- log_k 8.788
- delta_h -0 kJ
-Brochantite
- Cu4(OH)6SO4 + 6H+ = 4Cu+2 + 6H2O + SO4-2
- log_k 15.222
- delta_h -202.86 kJ
-Langite
- Cu4(OH)6SO4:H2O + 6H+ = 4Cu+2 + 7H2O + SO4-2
- log_k 17.4886
- delta_h -165.55 kJ
-CuOCuSO4
- CuOCuSO4 + 2H+ = 2Cu+2 + H2O + SO4-2
- log_k 10.3032
- delta_h -137.777 kJ
-CuSO4
- CuSO4 = Cu+2 + SO4-2
- log_k 2.9395
- delta_h -73.04 kJ
-Chalcanthite
- CuSO4:5H2O = Cu+2 + SO4-2 + 5H2O
- log_k -2.64
- delta_h 6.025 kJ
-Ag2SO4
- Ag2SO4 = 2Ag+ + SO4-2
- log_k -4.82
- delta_h 17 kJ
-Ni4(OH)6SO4
- Ni4(OH)6SO4 + 6H+ = 4Ni+2 + SO4-2 + 6H2O
- log_k 32
- delta_h -0 kJ
-Retgersite
- NiSO4:6H2O = Ni+2 + SO4-2 + 6H2O
- log_k -2.04
- delta_h 4.6024 kJ
-Morenosite
- NiSO4:7H2O = Ni+2 + SO4-2 + 7H2O
- log_k -2.1449
- delta_h 12.1802 kJ
-CoSO4
- CoSO4 = Co+2 + SO4-2
- log_k 2.8024
- delta_h -79.277 kJ
-CoSO4:6H2O
- CoSO4:6H2O = Co+2 + SO4-2 + 6H2O
- log_k -2.4726
- delta_h 1.0801 kJ
-Melanterite
- FeSO4:7H2O = Fe+2 + SO4-2 + 7H2O
- log_k -2.209
- delta_h 20.5 kJ
-Fe2(SO4)3
- Fe2(SO4)3 = 2Fe+3 + 3SO4-2
- log_k -3.7343
- delta_h -242.028 kJ
-H-Jarosite
- (H3O)Fe3(SO4)2(OH)6 + 5H+ = 3Fe+3 + 2SO4-2 + 7H2O
- log_k -12.1
- delta_h -230.748 kJ
-Na-Jarosite
- NaFe3(SO4)2(OH)6 + 6H+ = Na+ + 3Fe+3 + 2SO4-2 + 6H2O
- log_k -11.2
- delta_h -151.377 kJ
-K-Jarosite
- KFe3(SO4)2(OH)6 + 6H+ = K+ + 3Fe+3 + 2SO4-2 + 6H2O
- log_k -14.8
- delta_h -130.875 kJ
-MnSO4
- MnSO4 = Mn+2 + SO4-2
- log_k 2.5831
- delta_h -64.8401 kJ
-Mn2(SO4)3
- Mn2(SO4)3 = 2Mn+3 + 3SO4-2
- log_k -5.711
- delta_h -163.427 kJ
-VOSO4
- VOSO4 = VO+2 + SO4-2
- log_k 3.6097
- delta_h -86.7401 kJ
-Epsomite
- MgSO4:7H2O = Mg+2 + SO4-2 + 7H2O
- log_k -2.1265
- delta_h 11.5601 kJ
-Anhydrite
- CaSO4 = Ca+2 + SO4-2
- log_k -4.36
- delta_h -7.2 kJ
-Gypsum
- CaSO4:2H2O = Ca+2 + SO4-2 + 2H2O
- log_k -4.61
- delta_h 1 kJ
-Celestite
- SrSO4 = Sr+2 + SO4-2
- log_k -6.62
- delta_h 2 kJ
-Barite
- BaSO4 = Ba+2 + SO4-2
- log_k -9.98
- delta_h 23 kJ
-Mirabilite
- Na2SO4:10H2O = 2Na+ + SO4-2 + 10H2O
- log_k -1.114
- delta_h 79.4416 kJ
-Thenardite
- Na2SO4 = 2Na+ + SO4-2
- log_k 0.3217
- delta_h -9.121 kJ
-K-Alum
- KAl(SO4)2:12H2O = K+ + Al+3 + 2SO4-2 + 12H2O
- log_k -5.17
- delta_h 30.2085 kJ
-Alunite
- KAl3(SO4)2(OH)6 + 6H+ = K+ + 3Al+3 + 2SO4-2 + 6H2O
- log_k -1.4
- delta_h -210 kJ
-(NH4)2CrO4
- (NH4)2CrO4 = CrO4-2 + 2NH4+
- log_k 0.4046
- delta_h 9.163 kJ
-PbCrO4
- PbCrO4 = Pb+2 + CrO4-2
- log_k -12.6
- delta_h 44.18 kJ
-Tl2CrO4
- Tl2CrO4 = 2Tl+ + CrO4-2
- log_k -12.01
- delta_h 74.27 kJ
-Hg2CrO4
- Hg2CrO4 = Hg2+2 + CrO4-2
- log_k -8.7
- delta_h -0 kJ
-CuCrO4
- CuCrO4 = Cu+2 + CrO4-2
- log_k -5.44
- delta_h -0 kJ
-Ag2CrO4
- Ag2CrO4 = 2Ag+ + CrO4-2
- log_k -11.59
- delta_h 62 kJ
-MgCrO4
- MgCrO4 = CrO4-2 + Mg+2
- log_k 5.3801
- delta_h -88.9518 kJ
-CaCrO4
- CaCrO4 = Ca+2 + CrO4-2
- log_k -2.2657
- delta_h -26.945 kJ
-SrCrO4
- SrCrO4 = Sr+2 + CrO4-2
- log_k -4.65
- delta_h -10.1253 kJ
-BaCrO4
- BaCrO4 = Ba+2 + CrO4-2
- log_k -9.67
- delta_h 33 kJ
-Li2CrO4
- Li2CrO4 = CrO4-2 + 2Li+
- log_k 4.8568
- delta_h -45.2792 kJ
-Na2CrO4
- Na2CrO4 = CrO4-2 + 2Na+
- log_k 2.9302
- delta_h -19.6301 kJ
-Na2Cr2O7
- Na2Cr2O7 + H2O = 2CrO4-2 + 2Na+ + 2H+
- log_k -9.8953
- delta_h 22.1961 kJ
-K2CrO4
- K2CrO4 = CrO4-2 + 2K+
- log_k -0.5134
- delta_h 18.2699 kJ
-K2Cr2O7
- K2Cr2O7 + H2O = 2CrO4-2 + 2K+ + 2H+
- log_k -17.2424
- delta_h 80.7499 kJ
-Hg2SeO3
- Hg2SeO3 + H+ = Hg2+2 + HSeO3-
- log_k -4.657
- delta_h -0 kJ
-HgSeO3
- HgSeO3 + 2H2O = Hg(OH)2 + H+ + HSeO3-
- log_k -12.43
- delta_h -0 kJ
-Ag2SeO3
- Ag2SeO3 + H+ = 2Ag+ + HSeO3-
- log_k -7.15
- delta_h 39.68 kJ
-CuSeO3:2H2O
- CuSeO3:2H2O + H+ = Cu+2 + HSeO3- + 2H2O
- log_k 0.5116
- delta_h -36.861 kJ
-NiSeO3:2H2O
- NiSeO3:2H2O + H+ = HSeO3- + Ni+2 + 2H2O
- log_k 2.8147
- delta_h -31.0034 kJ
-CoSeO3
- CoSeO3 + H+ = Co+2 + HSeO3-
- log_k 1.32
- delta_h -0 kJ
-Fe2(SeO3)3:2H2O
- Fe2(SeO3)3:2H2O + 3H+ = 3HSeO3- + 2Fe+3 + 2H2O
- log_k -20.6262
- delta_h -0 kJ
-Fe2(OH)4SeO3
- Fe2(OH)4SeO3 + 5H+ = HSeO3- + 2Fe+3 + 4H2O
- log_k 1.5539
- delta_h -0 kJ
-MnSeO3
- MnSeO3 + H+ = Mn+2 + HSeO3-
- log_k 1.13
- delta_h -0 kJ
-MnSeO3:2H2O
- MnSeO3:2H2O + H+ = HSeO3- + Mn+2 + 2H2O
- log_k 0.9822
- delta_h 8.4935 kJ
-MgSeO3:6H2O
- MgSeO3:6H2O + H+ = Mg+2 + HSeO3- + 6H2O
- log_k 3.0554
- delta_h 5.23 kJ
-CaSeO3:2H2O
- CaSeO3:2H2O + H+ = HSeO3- + Ca+2 + 2H2O
- log_k 2.8139
- delta_h -19.4556 kJ
-SrSeO3
- SrSeO3 + H+ = Sr+2 + HSeO3-
- log_k 2.3
- delta_h -0 kJ
-BaSeO3
- BaSeO3 + H+ = Ba+2 + HSeO3-
- log_k 1.83
- delta_h 11.98 kJ
-Na2SeO3:5H2O
- Na2SeO3:5H2O + H+ = 2Na+ + HSeO3- + 5H2O
- log_k 10.3
- delta_h -0 kJ
-PbSeO4
- PbSeO4 = Pb+2 + SeO4-2
- log_k -6.84
- delta_h 15 kJ
-Tl2SeO4
- Tl2SeO4 = 2Tl+ + SeO4-2
- log_k -4.1
- delta_h 43 kJ
-ZnSeO4:6H2O
- ZnSeO4:6H2O = Zn+2 + SeO4-2 + 6H2O
- log_k -1.52
- delta_h -0 kJ
-CdSeO4:2H2O
- CdSeO4:2H2O = Cd+2 + SeO4-2 + 2H2O
- log_k -1.85
- delta_h -0 kJ
-Ag2SeO4
- Ag2SeO4 = 2Ag+ + SeO4-2
- log_k -8.91
- delta_h -43.5 kJ
-CuSeO4:5H2O
- CuSeO4:5H2O = Cu+2 + SeO4-2 + 5H2O
- log_k -2.44
- delta_h -0 kJ
-NiSeO4:6H2O
- NiSeO4:6H2O = Ni+2 + SeO4-2 + 6H2O
- log_k -1.52
- delta_h -0 kJ
-CoSeO4:6H2O
- CoSeO4:6H2O = Co+2 + SeO4-2 + 6H2O
- log_k -1.53
- delta_h -0 kJ
-MnSeO4:5H2O
- MnSeO4:5H2O = Mn+2 + SeO4-2 + 5H2O
- log_k -2.05
- delta_h -0 kJ
-UO2SeO4:4H2O
- UO2SeO4:4H2O = UO2+2 + SeO4-2 + 4H2O
- log_k -2.25
- delta_h -0 kJ
-MgSeO4:6H2O
- MgSeO4:6H2O = Mg+2 + SeO4-2 + 6H2O
- log_k -1.2
- delta_h -0 kJ
-CaSeO4:2H2O
- CaSeO4:2H2O = Ca+2 + SeO4-2 + 2H2O
- log_k -3.02
- delta_h -8.3 kJ
-SrSeO4
- SrSeO4 = Sr+2 + SeO4-2
- log_k -4.4
- delta_h 0.4 kJ
-BaSeO4
- BaSeO4 = Ba+2 + SeO4-2
- log_k -7.46
- delta_h 22 kJ
-BeSeO4:4H2O
- BeSeO4:4H2O = Be+2 + SeO4-2 + 4H2O
- log_k -2.94
- delta_h -0 kJ
-Na2SeO4
- Na2SeO4 = 2Na+ + SeO4-2
- log_k 1.28
- delta_h -0 kJ
-K2SeO4
- K2SeO4 = 2K+ + SeO4-2
- log_k -0.73
- delta_h -0 kJ
-(NH4)2SeO4
- (NH4)2SeO4 = 2NH4+ + SeO4-2
- log_k 0.45
- delta_h -0 kJ
-H2MoO4
- H2MoO4 = MoO4-2 + 2H+
- log_k -12.8765
- delta_h 49 kJ
-PbMoO4
- PbMoO4 = Pb+2 + MoO4-2
- log_k -15.62
- delta_h 53.93 kJ
-Al2(MoO4)3
- Al2(MoO4)3 = 3MoO4-2 + 2Al+3
- log_k 2.3675
- delta_h -260.8 kJ
-Tl2MoO4
- Tl2MoO4 = MoO4-2 + 2Tl+
- log_k -7.9887
- delta_h -0 kJ
-ZnMoO4
- ZnMoO4 = MoO4-2 + Zn+2
- log_k -10.1254
- delta_h -10.6901 kJ
-CdMoO4
- CdMoO4 = MoO4-2 + Cd+2
- log_k -14.1497
- delta_h 19.48 kJ
-CuMoO4
- CuMoO4 = MoO4-2 + Cu+2
- log_k -13.0762
- delta_h 12.2 kJ
-Ag2MoO4
- Ag2MoO4 = 2Ag+ + MoO4-2
- log_k -11.55
- delta_h 52.7 kJ
-NiMoO4
- NiMoO4 = MoO4-2 + Ni+2
- log_k -11.1421
- delta_h 1.3 kJ
-CoMoO4
- CoMoO4 = MoO4-2 + Co+2
- log_k -7.7609
- delta_h -23.3999 kJ
-FeMoO4
- FeMoO4 = MoO4-2 + Fe+2
- log_k -10.091
- delta_h -11.1 kJ
-BeMoO4
- BeMoO4 = MoO4-2 + Be+2
- log_k -1.7817
- delta_h -56.4 kJ
-MgMoO4
- MgMoO4 = Mg+2 + MoO4-2
- log_k -1.85
- delta_h -0 kJ
-CaMoO4
- CaMoO4 = Ca+2 + MoO4-2
- log_k -7.95
- delta_h -2 kJ
-BaMoO4
- BaMoO4 = MoO4-2 + Ba+2
- log_k -6.9603
- delta_h 10.96 kJ
-Li2MoO4
- Li2MoO4 = MoO4-2 + 2Li+
- log_k 2.4416
- delta_h -33.9399 kJ
-Na2MoO4
- Na2MoO4 = MoO4-2 + 2Na+
- log_k 1.4901
- delta_h -9.98 kJ
-Na2MoO4:2H2O
- Na2MoO4:2H2O = MoO4-2 + 2Na+ + 2H2O
- log_k 1.224
- delta_h -0 kJ
-Na2Mo2O7
- Na2Mo2O7 + H2O = 2MoO4-2 + 2Na+ + 2H+
- log_k -16.5966
- delta_h 56.2502 kJ
-K2MoO4
- K2MoO4 = MoO4-2 + 2K+
- log_k 3.2619
- delta_h -3.38 kJ
-PbHPO4
- PbHPO4 = Pb+2 + H+ + PO4-3
- log_k -23.805
- delta_h -0 kJ
-Pb3(PO4)2
- Pb3(PO4)2 = 3Pb+2 + 2PO4-3
- log_k -43.53
- delta_h -0 kJ
-Pyromorphite
- Pb5(PO4)3Cl = 5Pb+2 + 3PO4-3 + Cl-
- log_k -84.43
- delta_h -0 kJ
-Hydroxylpyromorphite
- Pb5(PO4)3OH + H+ = 5Pb+2 + 3PO4-3 + H2O
- log_k -62.79
- delta_h -0 kJ
-Plumbgummite
- PbAl3(PO4)2(OH)5:H2O + 5H+ = Pb+2 + 3Al+3 + 2PO4-3 + 6H2O
- log_k -32.79
- delta_h -0 kJ
-Hinsdalite
- PbAl3PO4SO4(OH)6 + 6H+ = Pb+2 + 3Al+3 + PO4-3 + SO4-2 + 6H2O
- log_k -2.5
- delta_h -0 kJ
-Tsumebite
- Pb2CuPO4(OH)3:3H2O + 3H+ = 2Pb+2 + Cu+2 + PO4-3 + 6H2O
- log_k -9.79
- delta_h -0 kJ
-Zn3(PO4)2:4H2O
- Zn3(PO4)2:4H2O = 3Zn+2 + 2PO4-3 + 4H2O
- log_k -35.42
- delta_h -0 kJ
-Cd3(PO4)2
- Cd3(PO4)2 = 3Cd+2 + 2PO4-3
- log_k -32.6
- delta_h -0 kJ
-Hg2HPO4
- Hg2HPO4 = Hg2+2 + H+ + PO4-3
- log_k -24.775
- delta_h -0 kJ
-Cu3(PO4)2
- Cu3(PO4)2 = 3Cu+2 + 2PO4-3
- log_k -36.85
- delta_h -0 kJ
-Cu3(PO4)2:3H2O
- Cu3(PO4)2:3H2O = 3Cu+2 + 2PO4-3 + 3H2O
- log_k -35.12
- delta_h -0 kJ
-Ag3PO4
- Ag3PO4 = 3Ag+ + PO4-3
- log_k -17.59
- delta_h -0 kJ
-Ni3(PO4)2
- Ni3(PO4)2 = 3Ni+2 + 2PO4-3
- log_k -31.3
- delta_h -0 kJ
-CoHPO4
- CoHPO4 = Co+2 + PO4-3 + H+
- log_k -19.0607
- delta_h -0 kJ
-Co3(PO4)2
- Co3(PO4)2 = 3Co+2 + 2PO4-3
- log_k -34.6877
- delta_h -0 kJ
-Vivianite
- Fe3(PO4)2:8H2O = 3Fe+2 + 2PO4-3 + 8H2O
- log_k -36
- delta_h -0 kJ
-Strengite
- FePO4:2H2O = Fe+3 + PO4-3 + 2H2O
- log_k -26.4
- delta_h -9.3601 kJ
-Mn3(PO4)2
- Mn3(PO4)2 = 3Mn+2 + 2PO4-3
- log_k -23.827
- delta_h 8.8701 kJ
-MnHPO4
- MnHPO4 = Mn+2 + PO4-3 + H+
- log_k -25.4
- delta_h -0 kJ
-(VO)3(PO4)2
- (VO)3(PO4)2 = 3VO+2 + 2PO4-3
- log_k -25.1
- delta_h -0 kJ
-Mg3(PO4)2
- Mg3(PO4)2 = 3Mg+2 + 2PO4-3
- log_k -23.28
- delta_h -0 kJ
-MgHPO4:3H2O
- MgHPO4:3H2O = Mg+2 + H+ + PO4-3 + 3H2O
- log_k -18.175
- delta_h -0 kJ
-FCO3Apatite
- Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316Ca+2 + 0.36Na+ + 0.144Mg+2 + 4.8PO4-3 + 1.2CO3-2 + 2.48F-
- log_k -114.4
- delta_h 164.808 kJ
-Hydroxylapatite
- Ca5(PO4)3OH + H+ = 5Ca+2 + 3PO4-3 + H2O
- log_k -44.333
- delta_h -0 kJ
-CaHPO4:2H2O
- CaHPO4:2H2O = Ca+2 + H+ + PO4-3 + 2H2O
- log_k -18.995
- delta_h 23 kJ
-CaHPO4
- CaHPO4 = Ca+2 + H+ + PO4-3
- log_k -19.275
- delta_h 31 kJ
-Ca3(PO4)2(beta)
- Ca3(PO4)2 = 3Ca+2 + 2PO4-3
- log_k -28.92
- delta_h 54 kJ
-Ca4H(PO4)3:3H2O
- Ca4H(PO4)3:3H2O = 4Ca+2 + H+ + 3PO4-3 + 3H2O
- log_k -47.08
- delta_h -0 kJ
-SrHPO4
- SrHPO4 = Sr+2 + H+ + PO4-3
- log_k -19.295
- delta_h -0 kJ
-BaHPO4
- BaHPO4 = Ba+2 + H+ + PO4-3
- log_k -19.775
- delta_h -0 kJ
-U(HPO4)2:4H2O
- U(HPO4)2:4H2O = U+4 + 2PO4-3 + 2H+ + 4H2O
- log_k -51.584
- delta_h 16.0666 kJ
-(UO2)3(PO4)2
- (UO2)3(PO4)2 = 3UO2+2 + 2PO4-3
- log_k -49.4
- delta_h 397.062 kJ
-UO2HPO4
- UO2HPO4 = UO2+2 + H+ + PO4-3
- log_k -24.225
- delta_h -0 kJ
-Uramphite
- (NH4)2(UO2)2(PO4)2 = 2UO2+2 + 2NH4+ + 2PO4-3
- log_k -51.749
- delta_h 40.5848 kJ
-Przhevalskite
- Pb(UO2)2(PO4)2 = 2UO2+2 + Pb+2 + 2PO4-3
- log_k -44.365
- delta_h -46.024 kJ
-Torbernite
- Cu(UO2)2(PO4)2 = 2UO2+2 + Cu+2 + 2PO4-3
- log_k -45.279
- delta_h -66.5256 kJ
-Bassetite
- Fe(UO2)2(PO4)2 = 2UO2+2 + Fe+2 + 2PO4-3
- log_k -44.485
- delta_h -83.2616 kJ
-Saleeite
- Mg(UO2)2(PO4)2 = 2UO2+2 + Mg+2 + 2PO4-3
- log_k -43.646
- delta_h -84.4331 kJ
-Ningyoite
- CaU(PO4)2:2H2O = U+4 + Ca+2 + 2PO4-3 + 2H2O
- log_k -53.906
- delta_h -9.4977 kJ
-H-Autunite
- H2(UO2)2(PO4)2 = 2UO2+2 + 2H+ + 2PO4-3
- log_k -47.931
- delta_h -15.0624 kJ
-Autunite
- Ca(UO2)2(PO4)2 = 2UO2+2 + Ca+2 + 2PO4-3
- log_k -43.927
- delta_h -59.9986 kJ
-Sr-Autunite
- Sr(UO2)2(PO4)2 = 2UO2+2 + Sr+2 + 2PO4-3
- log_k -44.457
- delta_h -54.6012 kJ
-Na-Autunite
- Na2(UO2)2(PO4)2 = 2UO2+2 + 2Na+ + 2PO4-3
- log_k -47.409
- delta_h -1.9246 kJ
-K-Autunite
- K2(UO2)2(PO4)2 = 2UO2+2 + 2K+ + 2PO4-3
- log_k -48.244
- delta_h 24.5182 kJ
-Uranocircite
- Ba(UO2)2(PO4)2 = 2UO2+2 + Ba+2 + 2PO4-3
- log_k -44.631
- delta_h -42.2584 kJ
-Pb3(AsO4)2
- Pb3(AsO4)2 + 6H+ = 3Pb+2 + 2H3AsO4
- log_k 5.8
- delta_h -0 kJ
-AlAsO4:2H2O
- AlAsO4:2H2O + 3H+ = Al+3 + H3AsO4 + 2H2O
- log_k 4.8
- delta_h -0 kJ
-Zn3(AsO4)2:2.5H2O
- Zn3(AsO4)2:2.5H2O + 6H+ = 3Zn+2 + 2H3AsO4 + 2.5H2O
- log_k 13.65
- delta_h -0 kJ
-Cu3(AsO4)2:2H2O
- Cu3(AsO4)2:2H2O + 6H+ = 3Cu+2 + 2H3AsO4 + 2H2O
- log_k 6.1
- delta_h -0 kJ
-Ag3AsO3
- Ag3AsO3 + 3H+ = 3Ag+ + H3AsO3
- log_k 2.1573
- delta_h -0 kJ
-Ag3AsO4
- Ag3AsO4 + 3H+ = 3Ag+ + H3AsO4
- log_k -2.7867
- delta_h -0 kJ
-Ni3(AsO4)2:8H2O
- Ni3(AsO4)2:8H2O + 6H+ = 3Ni+2 + 2H3AsO4 + 8H2O
- log_k 15.7
- delta_h -0 kJ
-Co3(AsO4)2
- Co3(AsO4)2 + 6H+ = 3Co+2 + 2H3AsO4
- log_k 13.0341
- delta_h -0 kJ
-FeAsO4:2H2O
- FeAsO4:2H2O + 3H+ = Fe+3 + H3AsO4 + 2H2O
- log_k 0.4
- delta_h -0 kJ
-Mn3(AsO4)2:8H2O
- Mn3(AsO4)2:8H2O + 6H+ = 3Mn+2 + 2H3AsO4 + 8H2O
- log_k 12.5
- delta_h -0 kJ
-Ca3(AsO4)2:4H2O
- Ca3(AsO4)2:4H2O + 6H+ = 3Ca+2 + 2H3AsO4 + 4H2O
- log_k 22.3
- delta_h -0 kJ
-Ba3(AsO4)2
- Ba3(AsO4)2 + 6H+ = 3Ba+2 + 2H3AsO4
- log_k -8.91
- delta_h 11.0458 kJ
-#NH4VO3
-# NH4VO3 + 2H+ = 2VO2+ + H2O
-# log_k 3.8
-# delta_h 30 kJ
-Pb3(VO4)2
- Pb3(VO4)2 + 8H+ = 3Pb+2 + 2VO2+ + 4H2O
- log_k 6.14
- delta_h -72.6342 kJ
-Pb2V2O7
- Pb2V2O7 + 6H+ = 2Pb+2 + 2VO2+ + 3H2O
- log_k -1.9
- delta_h -26.945 kJ
-AgVO3
- AgVO3 + 2H+ = Ag+ + VO2+ + H2O
- log_k 0.77
- delta_h -0 kJ
-Ag2HVO4
- Ag2HVO4 + 3H+ = 2Ag+ + VO2+ + 2H2O
- log_k 1.48
- delta_h -0 kJ
-Ag3H2VO5
- Ag3H2VO5 + 4H+ = 3Ag+ + VO2+ + 3H2O
- log_k 5.18
- delta_h -0 kJ
-Fe(VO3)2
- Fe(VO3)2 + 4H+ = Fe+2 + 2VO2+ + 2H2O
- log_k -3.72
- delta_h -61.6722 kJ
-Mn(VO3)2
- Mn(VO3)2 + 4H+ = Mn+2 + 2VO2+ + 2H2O
- log_k 4.9
- delta_h -92.4664 kJ
-Mg(VO3)2
- Mg(VO3)2 + 4H+ = Mg+2 + 2VO2+ + 2H2O
- log_k 11.28
- delta_h -136.649 kJ
-Mg2V2O7
- Mg2V2O7 + 6H+ = 2Mg+2 + 2VO2+ + 3H2O
- log_k 26.36
- delta_h -255.224 kJ
-Carnotite
- KUO2VO4 + 4H+ = K+ + UO2+2 + VO2+ + 2H2O
- log_k 0.23
- delta_h -36.4008 kJ
-Tyuyamunite
- Ca(UO2)2(VO4)2 + 8H+ = Ca+2 + 2UO2+2 + 2VO2+ + 4H2O
- log_k 4.08
- delta_h -153.134 kJ
-Ca(VO3)2
- Ca(VO3)2 + 4H+ = Ca+2 + 2VO2+ + 2H2O
- log_k 5.66
- delta_h -84.7678 kJ
-Ca3(VO4)2
- Ca3(VO4)2 + 8H+ = 3Ca+2 + 2VO2+ + 4H2O
- log_k 38.96
- delta_h -293.466 kJ
-Ca2V2O7
- Ca2V2O7 + 6H+ = 2Ca+2 + 2VO2+ + 3H2O
- log_k 17.5
- delta_h -159.494 kJ
-Ca3(VO4)2:4H2O
- Ca3(VO4)2:4H2O + 8H+ = 3Ca+2 + 2VO2+ + 8H2O
- log_k 39.86
- delta_h -0 kJ
-Ca2V2O7:2H2O
- Ca2V2O7:2H2O + 6H+ = 2Ca+2 + 2VO2+ + 5H2O
- log_k 21.552
- delta_h -0 kJ
-Ba3(VO4)2:4H2O
- Ba3(VO4)2:4H2O + 8H+ = 3Ba+2 + 2VO2+ + 8H2O
- log_k 32.94
- delta_h -0 kJ
-Ba2V2O7:2H2O
- Ba2V2O7:2H2O + 6H+ = 2Ba+2 + 2VO2+ + 5H2O
- log_k 15.872
- delta_h -0 kJ
-NaVO3
- NaVO3 + 2H+ = Na+ + VO2+ + H2O
- log_k 3.8582
- delta_h -30.1799 kJ
-Na3VO4
- Na3VO4 + 4H+ = 3Na+ + VO2+ + 2H2O
- log_k 36.6812
- delta_h -184.61 kJ
-Na4V2O7
- Na4V2O7 + 6H+ = 4Na+ + 2VO2+ + 3H2O
- log_k 37.4
- delta_h -201.083 kJ
-Halloysite
- Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O
- log_k 9.5749
- delta_h -181.43 kJ
-Kaolinite
- Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O
- log_k 7.435
- delta_h -148 kJ
-Greenalite
- Fe3Si2O5(OH)4 + 6H+ = 3Fe+2 + 2H4SiO4 + H2O
- log_k 20.81
- delta_h -0 kJ
-Chrysotile
- Mg3Si2O5(OH)4 + 6H+ = 3Mg+2 + 2H4SiO4 + H2O
- log_k 32.2
- delta_h -196 kJ
-Sepiolite
- Mg2Si3O7.5OH:3H2O + 4H+ + 0.5H2O = 2Mg+2 + 3H4SiO4
- log_k 15.76
- delta_h -114.089 kJ
-Sepiolite(A)
- Mg2Si3O7.5OH:3H2O + 0.5H2O + 4H+ = 2Mg+2 + 3H4SiO4
- log_k 18.78
- delta_h -0 kJ
-PHASES
-O2(g)
- O2 + 4H+ + 4e- = 2H2O
- log_k 83.0894
- delta_h -571.66 kJ
-CH4(g)
- CH4 + 3H2O = CO3-2 + 8e- + 10H+
- log_k -41.0452
- delta_h 257.133 kJ
-CO2(g)
- CO2 + H2O = 2H+ + CO3-2
- log_k -18.147
- delta_h 4.06 kJ
-H2S(g)
- H2S = H+ + HS-
- log_k -8.01
- delta_h -0 kJ
-H2Se(g)
- H2Se = HSe- + H+
- log_k -4.96
- delta_h -15.3 kJ
-Hg(g)
- Hg = 0.5Hg2+2 + e-
- log_k -7.8733
- delta_h 22.055 kJ
-Hg2(g)
- Hg2 = Hg2+2 + 2e-
- log_k -14.9554
- delta_h 58.07 kJ
-Hg(CH3)2(g)
- Hg(CH3)2 + 8H2O = Hg(OH)2 + 2CO3-2 + 16e- + 20H+
- log_k -73.7066
- delta_h 481.99 kJ
-HgF(g)
- HgF = 0.5Hg2+2 + F-
- log_k 32.6756
- delta_h -254.844 kJ
-HgF2(g)
- HgF2 + 2H2O = Hg(OH)2 + 2F- + 2H+
- log_k 12.5652
- delta_h -165.186 kJ
-HgCl(g)
- HgCl = 0.5Hg2+2 + Cl-
- log_k 19.4966
- delta_h -162.095 kJ
-HgBr(g)
- HgBr = 0.5Hg2+2 + Br-
- log_k 16.7566
- delta_h -142.157 kJ
-HgBr2(g)
- HgBr2 + 2H2O = Hg(OH)2 + 2Br- + 2H+
- log_k -18.3881
- delta_h 54.494 kJ
-HgI(g)
- HgI = 0.5Hg2+2 + I-
- log_k 11.3322
- delta_h -106.815 kJ
-HgI2(g)
- HgI2 + 2H2O = Hg(OH)2 + 2I- + 2H+
- log_k -27.2259
- delta_h 114.429 kJ
-SURFACE_MASTER_SPECIES
- Hfo_s Hfo_sOH
- Hfo_w Hfo_wOH
-SURFACE_SPECIES
-Hfo_wOH = Hfo_wOH
- log_k 0.0
-Hfo_sOH = Hfo_sOH
- log_k 0.0
-Hfo_sOH + H+ = Hfo_sOH2+
- log_k 7.29
- delta_h 0 kJ
- # Id: 8113302
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH = Hfo_sO- + H+
- log_k -8.93
- delta_h 0 kJ
- # Id: 8113301
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + H+ = Hfo_wOH2+
- log_k 7.29
- delta_h 0 kJ
- # Id: 8123302
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH = Hfo_wO- + H+
- log_k -8.93
- delta_h 0 kJ
- # Id: 8123301
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + Ba+2 = Hfo_sOHBa+2
- log_k 5.46
- delta_h 0 kJ
- # Id: 8111000
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+
- log_k -7.2
- delta_h 0 kJ
- # Id: 8121000
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + Ca+2 = Hfo_sOHCa+2
- log_k 4.97
- delta_h 0 kJ
- # Id: 8111500
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+
- log_k -5.85
- delta_h 0 kJ
- # Id: 8121500
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + Mg+2 = Hfo_wOMg+ + H+
- log_k -4.6
- delta_h 0 kJ
- # Id: 8124600
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + Ag+ = Hfo_sOAg + H+
- log_k -1.72
- delta_h 0 kJ
- # Id: 8110200
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + Ag+ = Hfo_wOAg + H+
- log_k -5.3
- delta_h 0 kJ
- # Id: 8120200
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + Ni+2 = Hfo_sONi+ + H+
- log_k 0.37
- delta_h 0 kJ
- # Id: 8115400
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + Ni+2 = Hfo_wONi+ + H+
- log_k -2.5
- delta_h 0 kJ
- # Id: 8125400
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+
- log_k 0.47
- delta_h 0 kJ
- # Id: 8111600
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+
- log_k -2.9
- delta_h 0 kJ
- # Id: 8121600
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + Co+2 = Hfo_sOCo+ + H+
- log_k -0.46
- delta_h 0 kJ
- # Id: 8112000
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + Co+2 = Hfo_wOCo+ + H+
- log_k -3.01
- delta_h 0 kJ
- # Id: 8122000
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+
- log_k 0.99
- delta_h 0 kJ
- # Id: 8119500
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+
- log_k -1.99
- delta_h 0 kJ
- # Id: 8129500
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+
- log_k 2.89
- delta_h 0 kJ
- # Id: 8112310
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+
- log_k 0.6
- delta_h 0 kJ
- # Id: 8123100
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+
- log_k 4.65
- delta_h 0 kJ
- # Id: 8116000
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+
- log_k 0.3
- delta_h 0 kJ
- # Id: 8126000
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + Be+2 = Hfo_sOBe+ + H+
- log_k 5.7
- delta_h 0 kJ
- # Id: 8111100
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + Be+2 = Hfo_wOBe+ + H+
- log_k 3.3
- delta_h 0 kJ
- # Id: 8121100
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + Hg(OH)2 + H+ = Hfo_sOHg+ + 2H2O
- log_k 13.95
- delta_h 0 kJ
- # Id: 8113610
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + Hg(OH)2 + H+ = Hfo_wOHg+ + 2H2O
- log_k 12.64
- delta_h 0 kJ
- # Id: 8123610
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + Sn(OH)2 + H+ = Hfo_sOSn+ + 2H2O
- log_k 15.1
- delta_h 0 kJ
- # Id: 8117900
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + Sn(OH)2 + H+ = Hfo_wOSn+ + 2H2O
- log_k 13
- delta_h 0 kJ
- # Id: 8127900
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + Cr(OH)2+ = Hfo_sOCrOH+ + H2O
- log_k 11.63
- delta_h 0 kJ
- # Id: 8112110
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + H3AsO3 = Hfo_sH2AsO3 + H2O
- log_k 5.41
- delta_h 0 kJ
- # Id: 8110600
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + H3AsO3 = Hfo_wH2AsO3 + H2O
- log_k 5.41
- delta_h 0 kJ
- # Id: 8120600
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + H3BO3 = Hfo_sH2BO3 + H2O
- log_k 0.62
- delta_h 0 kJ
- # Id: 8110900
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O
- log_k 0.62
- delta_h 0 kJ
- # Id: 8120900
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + PO4-3 + 3H+ = Hfo_sH2PO4 + H2O
- log_k 31.29
- delta_h 0 kJ
- # Id: 8115800
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O
- log_k 31.29
- delta_h 0 kJ
- # Id: 8125800
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + PO4-3 + 2H+ = Hfo_sHPO4- + H2O
- log_k 25.39
- delta_h 0 kJ
- # Id: 8115801
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O
- log_k 25.39
- delta_h 0 kJ
- # Id: 8125801
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + PO4-3 + H+ = Hfo_sPO4-2 + H2O
- log_k 17.72
- delta_h 0 kJ
- # Id: 8115802
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O
- log_k 17.72
- delta_h 0 kJ
- # Id: 8125802
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + H3AsO4 = Hfo_sH2AsO4 + H2O
- log_k 8.61
- delta_h 0 kJ
- # Id: 8110610
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + H3AsO4 = Hfo_wH2AsO4 + H2O
- log_k 8.61
- delta_h 0 kJ
- # Id: 8120610
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + H3AsO4 = Hfo_sHAsO4- + H2O + H+
- log_k 2.81
- delta_h 0 kJ
- # Id: 8110611
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + H3AsO4 = Hfo_wHAsO4- + H2O + H+
- log_k 2.81
- delta_h 0 kJ
- # Id: 8120611
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + H3AsO4 = Hfo_sOHAsO4-3 + 3H+
- log_k -10.12
- delta_h 0 kJ
- # Id: 8110613
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + H3AsO4 = Hfo_wOHAsO4-3 + 3H+
- log_k -10.12
- delta_h 0 kJ
- # Id: 8120613
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + VO2+ + 2H2O = Hfo_sOHVO4-3 + 4H+
- log_k -16.63
- delta_h 0 kJ
- # Id: 8119031
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + VO2+ + 2H2O = Hfo_wOHVO4-3 + 4H+
- log_k -16.63
- delta_h 0 kJ
- # Id: 8129031
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + SO4-2 + H+ = Hfo_sSO4- + H2O
- log_k 7.78
- delta_h 0 kJ
- # Id: 8117320
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O
- log_k 7.78
- delta_h 0 kJ
- # Id: 8127320
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + SO4-2 = Hfo_sOHSO4-2
- log_k 0.79
- delta_h 0 kJ
- # Id: 8117321
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + SO4-2 = Hfo_wOHSO4-2
- log_k 0.79
- delta_h 0 kJ
- # Id: 8127321
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + HSeO3- = Hfo_sSeO3- + H2O
- log_k 4.29
- delta_h 0 kJ
- # Id: 8117610
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + HSeO3- = Hfo_wSeO3- + H2O
- log_k 4.29
- delta_h 0 kJ
- # Id: 8127610
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + HSeO3- = Hfo_sOHSeO3-2 + H+
- log_k -3.23
- delta_h 0 kJ
- # Id: 8117611
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + HSeO3- = Hfo_wOHSeO3-2 + H+
- log_k -3.23
- delta_h 0 kJ
- # Id: 8127611
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + SeO4-2 + H+ = Hfo_sSeO4- + H2O
- log_k 7.73
- delta_h 0 kJ
- # Id: 8117620
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + SeO4-2 + H+ = Hfo_wSeO4- + H2O
- log_k 7.73
- delta_h 0 kJ
- # Id: 8127620
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + SeO4-2 = Hfo_sOHSeO4-2
- log_k 0.8
- delta_h 0 kJ
- # Id: 8117621
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + SeO4-2 = Hfo_wOHSeO4-2
- log_k 0.8
- delta_h 0 kJ
- # Id: 8127621
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + CrO4-2 + H+ = Hfo_sCrO4- + H2O
- log_k 10.85
- delta_h 0 kJ
- # Id: 8112120
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + CrO4-2 + H+ = Hfo_wCrO4- + H2O
- log_k 10.85
- delta_h 0 kJ
- # Id: 8122120
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + CrO4-2 = Hfo_sOHCrO4-2
- log_k 3.9
- delta_h 0 kJ
- # Id: 8112121
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + CrO4-2 = Hfo_wOHCrO4-2
- log_k 3.9
- delta_h 0 kJ
- # Id: 8122121
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + MoO4-2 + H+ = Hfo_sMoO4- + H2O
- log_k 9.5
- delta_h 0 kJ
- # Id: 8114800
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + MoO4-2 + H+ = Hfo_wMoO4- + H2O
- log_k 9.5
- delta_h 0 kJ
- # Id: 8124800
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + MoO4-2 = Hfo_sOHMoO4-2
- log_k 2.4
- delta_h 0 kJ
- # Id: 8114801
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + MoO4-2 = Hfo_wOHMoO4-2
- log_k 2.4
- delta_h 0 kJ
- # Id: 8124801
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + Sb(OH)6- + H+ = Hfo_sSbO(OH)4 + 2H2O
- log_k 8.4
- delta_h 0 kJ
- # Id: 8117410
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + Sb(OH)6- + H+ = Hfo_wSbO(OH)4 + 2H2O
- log_k 8.4
- delta_h 0 kJ
- # Id: 8127410
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + Sb(OH)6- = Hfo_sOHSbO(OH)4- + H2O
- log_k 1.3
- delta_h 0 kJ
- # Id: 8117411
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + Sb(OH)6- = Hfo_wOHSbO(OH)4- + H2O
- log_k 1.3
- delta_h 0 kJ
- # Id: 8127411
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + Cyanide- + H+ = Hfo_sCyanide + H2O
- log_k 13
- delta_h 0 kJ
- # Id: 8111430
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + Cyanide- + H+ = Hfo_wCyanide + H2O
- log_k 13
- delta_h 0 kJ
- # Id: 8121430
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_sOH + Cyanide- = Hfo_sOHCyanide-
- log_k 5.7
- delta_h 0 kJ
- # Id: 8111431
- # log K source:
- # Delta H source:
- #T and ionic strength:
-Hfo_wOH + Cyanide- = Hfo_wOHCyanide-
- log_k 5.7
- delta_h 0 kJ
- # Id: 8121431
- # log K source:
- # Delta H source:
- #T and ionic strength:
-END
-
-
diff --git a/Tests/Data/PhreeqcDatabase/minteq.v4.dat b/Tests/Data/PhreeqcDatabase/minteq.v4.dat
new file mode 120000
index 00000000000..6f0df2960ee
--- /dev/null
+++ b/Tests/Data/PhreeqcDatabase/minteq.v4.dat
@@ -0,0 +1 @@
+../../../ThirdParty/iphreeqc/src/database/minteq.v4.dat
\ No newline at end of file
diff --git a/Tests/Data/PhreeqcDatabase/phreeqc.dat b/Tests/Data/PhreeqcDatabase/phreeqc.dat
deleted file mode 100644
index 764ed5e1c87..00000000000
--- a/Tests/Data/PhreeqcDatabase/phreeqc.dat
+++ /dev/null
@@ -1,1831 +0,0 @@
-# PHREEQC.DAT for calculating pressure dependence of reactions, with
-# molal volumina of aqueous species and of minerals, and
-# critical temperatures and pressures of gases used in Peng-Robinson's EOS.
-# Details are given at the end of this file.
-
-SOLUTION_MASTER_SPECIES
-#
-#element species alk gfw_formula element_gfw
-#
-H H+ -1.0 H 1.008
-H(0) H2 0 H
-H(1) H+ -1.0 0
-E e- 0 0.0 0
-O H2O 0 O 16.0
-O(0) O2 0 O
-O(-2) H2O 0 0
-Ca Ca+2 0 Ca 40.08
-Mg Mg+2 0 Mg 24.312
-Na Na+ 0 Na 22.9898
-K K+ 0 K 39.102
-Fe Fe+2 0 Fe 55.847
-Fe(+2) Fe+2 0 Fe
-Fe(+3) Fe+3 -2.0 Fe
-Mn Mn+2 0 Mn 54.938
-Mn(+2) Mn+2 0 Mn
-Mn(+3) Mn+3 0 Mn
-Al Al+3 0 Al 26.9815
-Ba Ba+2 0 Ba 137.34
-Sr Sr+2 0 Sr 87.62
-Si H4SiO4 0 SiO2 28.0843
-Cl Cl- 0 Cl 35.453
-C CO3-2 2.0 HCO3 12.0111
-C(+4) CO3-2 2.0 HCO3
-C(-4) CH4 0 CH4
-Alkalinity CO3-2 1.0 Ca0.5(CO3)0.5 50.05
-S SO4-2 0 SO4 32.064
-S(6) SO4-2 0 SO4
-S(-2) HS- 1.0 S
-N NO3- 0 N 14.0067
-N(+5) NO3- 0 N
-N(+3) NO2- 0 N
-N(0) N2 0 N
-N(-3) NH4+ 0 N 14.0067
-#Amm AmmH+ 0 AmmH 17.031
-B H3BO3 0 B 10.81
-P PO4-3 2.0 P 30.9738
-F F- 0 F 18.9984
-Li Li+ 0 Li 6.939
-Br Br- 0 Br 79.904
-Zn Zn+2 0 Zn 65.37
-Cd Cd+2 0 Cd 112.4
-Pb Pb+2 0 Pb 207.19
-Cu Cu+2 0 Cu 63.546
-Cu(+2) Cu+2 0 Cu
-Cu(+1) Cu+1 0 Cu
-# redox-uncoupled gases
-Hdg Hdg 0 Hdg 2.016 # H2 gas
-Oxg Oxg 0 Oxg 32 # O2 gas
-Mtg Mtg 0 Mtg 16.032 # CH4 gas
-Sg H2Sg 1.0 H2Sg 34.08
-Ntg Ntg 0 Ntg 28.0134 # N2 gas
-
-SOLUTION_SPECIES
-H+ = H+
- -gamma 9.0 0
- -dw 9.31e-9 1000 0.46 1e-10 # The dw parameters are defined in ref. 3.
-# Dw(TK) = 9.31e-9 * exp(1000 / TK - 1000 / 298.15) * TK * 0.89 / (298.15 * viscos)
-# Dw(I) = Dw(TK) * exp(-0.46 * DH_A * |z_H+| * I^0.5 / (1 + DH_B * I^0.5 * 1e-10 / (1 + I^0.75)))
-e- = e-
-H2O = H2O
-Ca+2 = Ca+2
- -gamma 5.0 0.1650
- -dw 0.793e-9 97 3.4 24.6
- -Vm -0.3456 -7.252 6.149 -2.479 1.239 5 1.60 -57.1 -6.12e-3 1 # ref. 1
-Mg+2 = Mg+2
- -gamma 5.5 0.20
- -dw 0.705e-9 111 2.4 13.7
- -Vm -1.410 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1 # ref. 1
-Na+ = Na+
- -gamma 4.0 0.075
- -gamma 4.08 0.082 # halite solubility
- -dw 1.33e-9 122 1.52 3.70
- -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.566 # ref. 1
-# for calculating densities (rho) when I > 3...
- # -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.45
-K+ = K+
- -gamma 3.5 0.015
- -dw 1.96e-9 395 2.5 21
- -Vm 3.322 -1.473 6.534 -2.712 9.06e-2 3.5 0 29.7 0 1 # ref. 1
-Fe+2 = Fe+2
- -gamma 6.0 0
- -dw 0.719e-9
- -Vm -0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1 # ref. 1
-Mn+2 = Mn+2
- -gamma 6.0 0
- -dw 0.688e-9
- -Vm -1.10 -8.03 4.08 -2.45 1.4 6 8.07 0 -1.51e-2 0.118 # ref. 2
-Al+3 = Al+3
- -gamma 9.0 0
- -dw 0.559e-9
- -Vm -2.28 -17.1 10.9 -2.07 2.87 9 0 0 5.5e-3 1 # ref. 2 and Barta and Hepler, 1986, Can. J.C. 64, 353.
-Ba+2 = Ba+2
- -gamma 5.0 0
- -gamma 4.0 0.153 # Barite solubility
- -dw 0.848e-9 46
- -Vm 2.063 -10.06 1.9534 -2.36 0.4218 5 1.58 -12.03 -8.35e-3 1 # ref. 1
-Sr+2 = Sr+2
- -gamma 5.260 0.121
- -dw 0.794e-9 161
- -Vm -1.57e-2 -10.15 10.18 -2.36 0.860 5.26 0.859 -27.0 -4.1e-3 1.97 # ref. 1
-H4SiO4 = H4SiO4
- -dw 1.10e-9
- -Vm 10.5 1.7 20 -2.7 0.1291 # supcrt + 2*H2O in a1
-Cl- = Cl-
- -gamma 3.5 0.015
- -gamma 3.63 0.017 # cf. pitzer.dat
- -dw 2.03e-9 194 1.6 6.9
- -Vm 4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1 # ref. 1
-CO3-2 = CO3-2
- -gamma 5.4 0
- -dw 0.955e-9 0 1.12 2.84
- -Vm 5.95 0 0 -5.67 6.85 0 1.37 106 -0.0343 1 # ref. 1
-SO4-2 = SO4-2
- -gamma 5.0 -0.04
- -dw 1.07e-9 34 2.08 13.4
- -Vm 8.0 2.3 -46.04 6.245 3.82 0 0 0 0 1 # ref. 1
-NO3- = NO3-
- -gamma 3.0 0
- -dw 1.9e-9 184 1.85 3.85
- -Vm 6.32 6.78 0 -3.06 0.346 0 0.93 0 -0.012 1 # ref. 1
-#AmmH+ = AmmH+
-# -gamma 2.5 0
-# -dw 1.98e-9 312 0.95 4.53
-# -Vm 4.837 2.345 5.522 -2.88 1.096 3 -1.456 75.0 7.17e-3 1 # ref. 1
-H3BO3 = H3BO3
- -dw 1.1e-9
- -Vm 7.0643 8.8547 3.5844 -3.1451 -.2000 # supcrt
-PO4-3 = PO4-3
- -gamma 4.0 0
- -dw 0.612e-9
- -Vm 1.24 -9.07 9.31 -2.4 5.61 0 0 0 -1.41e-2 1 # ref. 2
-F- = F-
- -gamma 3.5 0
- -dw 1.46e-9
- -Vm 0.928 1.36 6.27 -2.84 1.84 0 0 -0.318 0 1 # ref. 2
-Li+ = Li+
- -gamma 6.0 0
- -dw 1.03e-9 80
- -Vm -0.419 -0.069 13.16 -2.78 0.416 0 0.296 -12.4 -2.74e-3 1.26 # ref. 2 and Ellis, 1968, J. Chem. Soc. A, 1138
-Br- = Br-
- -gamma 3.0 0
- -dw 2.01e-9 258
- -Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1 # ref. 2
-Zn+2 = Zn+2
- -gamma 5.0 0
- -dw 0.715e-9
- -Vm -1.96 -10.4 14.3 -2.35 1.46 5 -1.43 24 1.67e-2 1.11 # ref. 2
-Cd+2 = Cd+2
- -dw 0.717e-9
- -Vm 1.63 -10.7 1.01 -2.34 1.47 5 0 0 0 1 # ref. 2
-Pb+2 = Pb+2
- -dw 0.945e-9
- -Vm -.0051 -7.7939 8.8134 -2.4568 1.0788 4.5 # supcrt
-Cu+2 = Cu+2
- -gamma 6.0 0
- -dw 0.733e-9
- -Vm -1.13 -10.5 7.29 -2.35 1.61 6 9.78e-2 0 3.42e-3 1 # ref. 2
-# redox-uncoupled gases
-Hdg = Hdg # H2
- -dw 5.13e-9
- -Vm 6.52 0.78 0.12 # supcrt
-Oxg = Oxg # O2
- -dw 2.35e-9
- -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt
-Mtg = Mtg # CH4
- -dw 1.85e-9
- -Vm 9.01 -1.11 0 -1.85 -1.50 # ref. 1 + Hnedkovsky et al., 1996, JCT 28, 125
-Ntg = Ntg # N2
- -dw 1.96e-9
- -Vm 7 # Pray et al., 1952, IEC 44. 1146
-H2Sg = H2Sg # H2S
- -dw 2.1e-9
- -Vm 7.81 2.96 -0.46 # supcrt
-# aqueous species
-H2O = OH- + H+
- -analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5
- -gamma 3.5 0
- -dw 5.27e-9 548 0.52 1e-10
- -Vm -9.66 28.5 80.0 -22.9 1.89 0 1.09 0 0 1 # ref. 1
-2 H2O = O2 + 4 H+ + 4 e-
- -log_k -86.08
- -delta_h 134.79 kcal
- -dw 2.35e-9
- -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt
-2 H+ + 2 e- = H2
- -log_k -3.15
- -delta_h -1.759 kcal
- -dw 5.13e-9
- -Vm 6.52 0.78 0.12 # supcrt
-CO3-2 + H+ = HCO3-
- -log_k 10.329
- -delta_h -3.561 kcal
- -analytic 107.8871 0.03252849 -5151.79 -38.92561 563713.9
- -gamma 5.4 0
- -dw 1.18e-9 0 1.43 1e-10
- -Vm 8.472 0 -11.5 0 1.56 0 0 146 3.16e-3 1 # ref. 1
-CO3-2 + 2 H+ = CO2 + H2O
- -log_k 16.681
- -delta_h -5.738 kcal
- -analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9
- -dw 1.92e-9
- -Vm 7.29 0.92 2.07 -1.23 -1.60 # ref. 1 + McBride et al. 2015, JCED 60, 171
-2CO2 = (CO2)2 # activity correction for CO2 solubility at high P, T
- -log_k -1.8
- -analytical_expression 8.68 -0.0103 -2190
- -Vm 14.58 1.84 4.14 -2.46 -3.20
-CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O
- -log_k 41.071
- -delta_h -61.039 kcal
- -dw 1.85e-9
- -Vm 9.01 -1.11 0 -1.85 -1.50 # ref. 1 + Hnedkovsky et al., 1996, JCT 28, 125
-SO4-2 + H+ = HSO4-
- -log_k 1.988
- -delta_h 3.85 kcal
- -analytic -56.889 0.006473 2307.9 19.8858
- -dw 1.33e-9
- -Vm 8.2 9.2590 2.1108 -3.1618 1.1748 0 -0.3 15 0 1 # ref. 1
-HS- = S-2 + H+
- -log_k -12.918
- -delta_h 12.1 kcal
- -gamma 5.0 0
- -dw 0.731e-9
-SO4-2 + 9 H+ + 8 e- = HS- + 4 H2O
- -log_k 33.65
- -delta_h -60.140 kcal
- -gamma 3.5 0
- -dw 1.73e-9
- -Vm 5.0119 4.9799 3.4765 -2.9849 1.4410 # supcrt
-HS- + H+ = H2S
- -log_k 6.994
- -delta_h -5.30 kcal
- -analytical -11.17 0.02386 3279.0
- -dw 2.1e-9
- -Vm 7.81 2.96 -0.46 # supcrt
-H2Sg = HSg- + H+
- -log_k -6.994
- -delta_h 5.30 kcal
- -analytical 11.17 -0.02386 -3279.0
- -dw 1.73e-9
- -Vm 5.0119 4.9799 3.4765 -2.9849 1.4410 # supcrt
-NO3- + 2 H+ + 2 e- = NO2- + H2O
- -log_k 28.570
- -delta_h -43.760 kcal
- -gamma 3.0 0
- -dw 1.91e-9
- -Vm 5.5864 5.8590 3.4472 -3.0212 1.1847 # supcrt
-2 NO3- + 12 H+ + 10 e- = N2 + 6 H2O
- -log_k 207.08
- -delta_h -312.130 kcal
- -dw 1.96e-9
- -Vm 7 # Pray et al., 1952, IEC 44. 1146
-NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O
- -log_k 119.077
- -delta_h -187.055 kcal
- -gamma 2.5 0
- -dw 1.98e-9 312 0.95 4.53
- -Vm 4.837 2.345 5.522 -2.88 1.096 3 -1.456 75.0 7.17e-3 1 # ref. 1
-
-NH4+ = NH3 + H+
- -log_k -9.252
- -delta_h 12.48 kcal
- -analytic 0.6322 -0.001225 -2835.76
- -dw 2.28e-9
- -Vm 6.69 2.8 3.58 -2.88 1.43 # ref. 2
-#NO3- + 10 H+ + 8 e- = AmmH+ + 3 H2O
-# -log_k 119.077
-# -delta_h -187.055 kcal
-# -gamma 2.5 0
-# -Vm 4.837 2.345 5.522 -2.88 1.096 3 -1.456 75.0 7.17e-3 1 # ref. 1
-
-#AmmH+ + SO4-2 = AmmHSO4-
-NH4+ + SO4-2 = NH4SO4-
- -log_k 1.11
- -Vm 14.0 0 -35.2 0 0 0 12.3 0 -0.141 1 # ref. 2
-H3BO3 = H2BO3- + H+
- -log_k -9.24
- -delta_h 3.224 kcal
-H3BO3 + F- = BF(OH)3-
- -log_k -0.4
- -delta_h 1.850 kcal
-H3BO3 + 2 F- + H+ = BF2(OH)2- + H2O
- -log_k 7.63
- -delta_h 1.618 kcal
-H3BO3 + 2 H+ + 3 F- = BF3OH- + 2 H2O
- -log_k 13.67
- -delta_h -1.614 kcal
-H3BO3 + 3 H+ + 4 F- = BF4- + 3 H2O
- -log_k 20.28
- -delta_h -1.846 kcal
-PO4-3 + H+ = HPO4-2
- -log_k 12.346
- -delta_h -3.530 kcal
- -gamma 5.0 0
- -dw 0.69e-9
- -Vm 3.52 1.09 8.39 -2.82 3.34 0 0 0 0 1 # ref. 2
-PO4-3 + 2 H+ = H2PO4-
- -log_k 19.553
- -delta_h -4.520 kcal
- -gamma 5.4 0
- -dw 0.846e-9
- -Vm 5.58 8.06 12.2 -3.11 1.3 0 0 0 1.62e-2 1 # ref. 2
-PO4-3 + 3H+ = H3PO4
- log_k 21.721 # log_k and delta_h from minteq.v4.dat, NIST46.3
- delta_h -10.1 kJ
- -Vm 7.47 12.4 6.29 -3.29 0 # ref. 2
-H+ + F- = HF
- -log_k 3.18
- -delta_h 3.18 kcal
- -analytic -2.033 0.012645 429.01
- -Vm 3.4753 .7042 5.4732 -2.8081 -.0007 # supcrt
-H+ + 2 F- = HF2-
- -log_k 3.76
- -delta_h 4.550 kcal
- -Vm 5.2263 4.9797 3.7928 -2.9849 1.2934 # supcrt
-Ca+2 + H2O = CaOH+ + H+
- -log_k -12.78
-Ca+2 + CO3-2 = CaCO3
- -log_k 3.224
- -delta_h 3.545 kcal
- -analytic -1228.732 -0.299440 35512.75 485.818
- -dw 4.46e-10 # complexes: calc'd with the Pikal formula
- -Vm -.2430 -8.3748 9.0417 -2.4328 -.0300 # supcrt
-Ca+2 + CO3-2 + H+ = CaHCO3+
- -log_k 11.435
- -delta_h -0.871 kcal
- -analytic 1317.0071 0.34546894 -39916.84 -517.70761 563713.9
- -gamma 6.0 0
- -dw 5.06e-10
- -Vm 3.1911 .0104 5.7459 -2.7794 .3084 5.4 # supcrt
-Ca+2 + SO4-2 = CaSO4
- -log_k 2.25
- -delta_h 1.325 kcal
- -dw 4.71e-10
- -Vm 2.7910 -.9666 6.1300 -2.7390 -.0010 # supcrt
-Ca+2 + HSO4- = CaHSO4+
- -log_k 1.08
-Ca+2 + PO4-3 = CaPO4-
- -log_k 6.459
- -delta_h 3.10 kcal
- -gamma 5.4 0.0
-Ca+2 + HPO4-2 = CaHPO4
- -log_k 2.739
- -delta_h 3.3 kcal
-Ca+2 + H2PO4- = CaH2PO4+
- -log_k 1.408
- -delta_h 3.4 kcal
- -gamma 5.4 0.0
-# Ca+2 + F- = CaF+
- # -log_k 0.94
- # -delta_h 4.120 kcal
- # -gamma 5.5 0.0
- # -Vm .9846 -5.3773 7.8635 -2.5567 .6911 5.5 # supcrt
-Mg+2 + H2O = MgOH+ + H+
- -log_k -11.44
- -delta_h 15.952 kcal
- -gamma 6.5 0
-Mg+2 + CO3-2 = MgCO3
- -log_k 2.98
- -delta_h 2.713 kcal
- -analytic 0.9910 0.00667
- -dw 4.21e-10
- -Vm -.5837 -9.2067 9.3687 -2.3984 -.0300 # supcrt
-Mg+2 + H+ + CO3-2 = MgHCO3+
- -log_k 11.399
- -delta_h -2.771 kcal
- -analytic 48.6721 0.03252849 -2614.335 -18.00263 563713.9
- -gamma 4.0 0
- -dw 4.78e-10
- -Vm 2.7171 -1.1469 6.2008 -2.7316 .5985 4 # supcrt
-Mg+2 + SO4-2 = MgSO4
- -log_k 2.37
- -delta_h 4.550 kcal
- -dw 4.45e-10
- -Vm 2.4 -0.97 6.1 -2.74 # est'd
-Mg+2 + PO4-3 = MgPO4-
- -log_k 6.589
- -delta_h 3.10 kcal
- -gamma 5.4 0
-Mg+2 + HPO4-2 = MgHPO4
- -log_k 2.87
- -delta_h 3.3 kcal
-Mg+2 + H2PO4- = MgH2PO4+
- -log_k 1.513
- -delta_h 3.4 kcal
- -gamma 5.4 0
-Mg+2 + F- = MgF+
- -log_k 1.82
- -delta_h 3.20 kcal
- -gamma 4.5 0
- -Vm .6494 -6.1958 8.1852 -2.5229 .9706 4.5 # supcrt
-Na+ + OH- = NaOH
- -log_k -10 # remove this complex
-Na+ + CO3-2 = NaCO3-
- -log_k 1.27
- -delta_h 8.91 kcal
- -dw 1.2e-9 0 1e-10 1e-10
- -Vm 3.89 -8.23e-4 20 -9.44 3.02 9.05e-3 3.07 0 0.0233 1 # ref. 1
-Na+ + HCO3- = NaHCO3
- -log_k -0.25
- -delta_h -1 kcal
- -dw 6.73e-10
- -Vm 0.431 # ref. 1
-Na+ + SO4-2 = NaSO4-
- -log_k 0.7
- -delta_h 1.120 kcal
- -gamma 5.4 0
- -dw 1.33e-9 0 0.57 1e-10
- -Vm 1e-5 16.4 -0.0678 -1.05 4.14 0 6.86 0 0.0242 0.53 # ref. 1
-Na+ + HPO4-2 = NaHPO4-
- -log_k 0.29
- -gamma 5.4 0
- -Vm 5.2 8.1 13 -3 0.9 0 0 1.62e-2 1 # ref. 2
-Na+ + F- = NaF
- -log_k -0.24
- -Vm 2.7483 -1.0708 6.1709 -2.7347 -.030 # supcrt
-K+ + SO4-2 = KSO4-
- -log_k 0.85
- -delta_h 2.250 kcal
- -analytical 3.106 0.0 -673.6
- -gamma 5.4 0
- -dw 1.5e-9 0 1e-10 1e10
- -Vm 6.8 7.06 3.0 -2.07 1.1 0 0 0 0 1 # ref. 1
-K+ + HPO4-2 = KHPO4-
- -log_k 0.29
- -gamma 5.4 0
- -Vm 5.4 8.1 19 -3.1 0.7 0 0 0 1.62e-2 1 # ref. 2
-Fe+2 + H2O = FeOH+ + H+
- -log_k -9.5
- -delta_h 13.20 kcal
- -gamma 5.0 0
-Fe+2 + 3H2O = Fe(OH)3- + 3H+
- -log_k -31.0
- -delta_h 30.3 kcal
- -gamma 5.0 0
-Fe+2 + Cl- = FeCl+
- -log_k 0.14
-Fe+2 + CO3-2 = FeCO3
- -log_k 4.38
-Fe+2 + HCO3- = FeHCO3+
- -log_k 2.0
-Fe+2 + SO4-2 = FeSO4
- -log_k 2.25
- -delta_h 3.230 kcal
- -Vm -13 0 123 # ref. 2
-Fe+2 + HSO4- = FeHSO4+
- -log_k 1.08
-Fe+2 + 2HS- = Fe(HS)2
- -log_k 8.95
-Fe+2 + 3HS- = Fe(HS)3-
- -log_k 10.987
-Fe+2 + HPO4-2 = FeHPO4
- -log_k 3.6
-Fe+2 + H2PO4- = FeH2PO4+
- -log_k 2.7
- -gamma 5.4 0
-Fe+2 + F- = FeF+
- -log_k 1.0
-Fe+2 = Fe+3 + e-
- -log_k -13.02
- -delta_h 9.680 kcal
- -gamma 9.0 0
-Fe+3 + H2O = FeOH+2 + H+
- -log_k -2.19
- -delta_h 10.4 kcal
- -gamma 5.0 0
-Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+
- -log_k -5.67
- -delta_h 17.1 kcal
- -gamma 5.4 0
-Fe+3 + 3 H2O = Fe(OH)3 + 3 H+
- -log_k -12.56
- -delta_h 24.8 kcal
-Fe+3 + 4 H2O = Fe(OH)4- + 4 H+
- -log_k -21.6
- -delta_h 31.9 kcal
- -gamma 5.4 0
-Fe+2 + 2H2O = Fe(OH)2 + 2H+
- -log_k -20.57
- -delta_h 28.565 kcal
-2 Fe+3 + 2 H2O = Fe2(OH)2+4 + 2 H+
- -log_k -2.95
- -delta_h 13.5 kcal
-3 Fe+3 + 4 H2O = Fe3(OH)4+5 + 4 H+
- -log_k -6.3
- -delta_h 14.3 kcal
-Fe+3 + Cl- = FeCl+2
- -log_k 1.48
- -delta_h 5.6 kcal
- -gamma 5.0 0
-Fe+3 + 2 Cl- = FeCl2+
- -log_k 2.13
- -gamma 5.0 0
-Fe+3 + 3 Cl- = FeCl3
- -log_k 1.13
-Fe+3 + SO4-2 = FeSO4+
- -log_k 4.04
- -delta_h 3.91 kcal
- -gamma 5.0 0
-Fe+3 + HSO4- = FeHSO4+2
- -log_k 2.48
-Fe+3 + 2 SO4-2 = Fe(SO4)2-
- -log_k 5.38
- -delta_h 4.60 kcal
-Fe+3 + HPO4-2 = FeHPO4+
- -log_k 5.43
- -delta_h 5.76 kcal
- -gamma 5.0 0
-Fe+3 + H2PO4- = FeH2PO4+2
- -log_k 5.43
- -gamma 5.4 0
-Fe+3 + F- = FeF+2
- -log_k 6.2
- -delta_h 2.7 kcal
- -gamma 5.0 0
-Fe+3 + 2 F- = FeF2+
- -log_k 10.8
- -delta_h 4.8 kcal
- -gamma 5.0 0
-Fe+3 + 3 F- = FeF3
- -log_k 14.0
- -delta_h 5.4 kcal
-Mn+2 + H2O = MnOH+ + H+
- -log_k -10.59
- -delta_h 14.40 kcal
- -gamma 5.0 0
-Mn+2 + 3H2O = Mn(OH)3- + 3H+
- -log_k -34.8
- -gamma 5.0 0
-Mn+2 + Cl- = MnCl+
- -log_k 0.61
- -gamma 5.0 0
- -Vm 7.25 -1.08 -25.8 -2.73 3.99 5 0 0 0 1 # ref. 2
-Mn+2 + 2 Cl- = MnCl2
- -log_k 0.25
- -Vm 1e-5 0 144 # ref. 2
-Mn+2 + 3 Cl- = MnCl3-
- -log_k -0.31
- -gamma 5.0 0
- -Vm 11.8 0 0 0 2.4 0 0 0 3.6e-2 1 # ref. 2
-Mn+2 + CO3-2 = MnCO3
- -log_k 4.9
-Mn+2 + HCO3- = MnHCO3+
- -log_k 1.95
- -gamma 5.0 0
-Mn+2 + SO4-2 = MnSO4
- -log_k 2.25
- -delta_h 3.370 kcal
- -Vm -1.31 -1.83 62.3 -2.7 # ref. 2
-Mn+2 + 2 NO3- = Mn(NO3)2
- -log_k 0.6
- -delta_h -0.396 kcal
- -Vm 6.16 0 29.4 0 0.9 # ref. 2
-Mn+2 + F- = MnF+
- -log_k 0.84
- -gamma 5.0 0
-Mn+2 = Mn+3 + e-
- -log_k -25.51
- -delta_h 25.80 kcal
- -gamma 9.0 0
-Al+3 + H2O = AlOH+2 + H+
- -log_k -5.0
- -delta_h 11.49 kcal
- -analytic -38.253 0.0 -656.27 14.327
- -gamma 5.4 0
- -Vm -1.46 -11.4 10.2 -2.31 1.67 5.4 0 0 0 1 # ref. 2 and Barta and Hepler, 1986, Can. J. Chem. 64, 353.
-Al+3 + 2 H2O = Al(OH)2+ + 2 H+
- -log_k -10.1
- -delta_h 26.90 kcal
- -gamma 5.4 0
- -analytic 88.50 0.0 -9391.6 -27.121
-Al+3 + 3 H2O = Al(OH)3 + 3 H+
- -log_k -16.9
- -delta_h 39.89 kcal
- -analytic 226.374 0.0 -18247.8 -73.597
-Al+3 + 4 H2O = Al(OH)4- + 4 H+
- -log_k -22.7
- -delta_h 42.30 kcal
- -analytic 51.578 0.0 -11168.9 -14.865
- -gamma 4.5 0
-Al+3 + SO4-2 = AlSO4+
- -log_k 3.5
- -delta_h 2.29 kcal
- -gamma 4.5 0
-Al+3 + 2SO4-2 = Al(SO4)2-
- -log_k 5.0
- -delta_h 3.11 kcal
- -gamma 4.5 0
-Al+3 + HSO4- = AlHSO4+2
- -log_k 0.46
-Al+3 + F- = AlF+2
- -log_k 7.0
- -delta_h 1.060 kcal
- -gamma 5.4 0
-Al+3 + 2 F- = AlF2+
- -log_k 12.7
- -delta_h 1.980 kcal
- -gamma 5.4 0
-Al+3 + 3 F- = AlF3
- -log_k 16.8
- -delta_h 2.160 kcal
-Al+3 + 4 F- = AlF4-
- -log_k 19.4
- -delta_h 2.20 kcal
- -gamma 4.5 0
-# Al+3 + 5 F- = AlF5-2
- # log_k 20.6
- # delta_h 1.840 kcal
-# Al+3 + 6 F- = AlF6-3
- # log_k 20.6
- # delta_h -1.670 kcal
-H4SiO4 = H3SiO4- + H+
- -log_k -9.83
- -delta_h 6.12 kcal
- -analytic -302.3724 -0.050698 15669.69 108.18466 -1119669.0
- -gamma 4 0
- -Vm 7.94 1.0881 5.3224 -2.8240 1.4767 # supcrt + H2O in a1
-H4SiO4 = H2SiO4-2 + 2 H+
- -log_k -23.0
- -delta_h 17.6 kcal
- -analytic -294.0184 -0.072650 11204.49 108.18466 -1119669.0
- -gamma 5.4 0
-H4SiO4 + 4 H+ + 6 F- = SiF6-2 + 4 H2O
- -log_k 30.18
- -delta_h -16.260 kcal
- -gamma 5.0 0
- -Vm 8.5311 13.0492 .6211 -3.3185 2.7716 # supcrt
-Ba+2 + H2O = BaOH+ + H+
- -log_k -13.47
- -gamma 5.0 0
-Ba+2 + CO3-2 = BaCO3
- -log_k 2.71
- -delta_h 3.55 kcal
- -analytic 0.113 0.008721
- -Vm .2907 -7.0717 8.5295 -2.4867 -.0300 # supcrt
-Ba+2 + HCO3- = BaHCO3+
- -log_k 0.982
- -delta_h 5.56 kcal
- -analytic -3.0938 0.013669
-Ba+2 + SO4-2 = BaSO4
- -log_k 2.7
-Sr+2 + H2O = SrOH+ + H+
- -log_k -13.29
- -gamma 5.0 0
-Sr+2 + CO3-2 + H+ = SrHCO3+
- -log_k 11.509
- -delta_h 2.489 kcal
- -analytic 104.6391 0.04739549 -5151.79 -38.92561 563713.9
- -gamma 5.4 0
-Sr+2 + CO3-2 = SrCO3
- -log_k 2.81
- -delta_h 5.22 kcal
- -analytic -1.019 0.012826
- -Vm -.1787 -8.2177 8.9799 -2.4393 -.0300 # supcrt
-Sr+2 + SO4-2 = SrSO4
- -log_k 2.29
- -delta_h 2.08 kcal
- -Vm 6.7910 -.9666 6.1300 -2.7390 -.0010 # celestite solubility
-Li+ + SO4-2 = LiSO4-
- -log_k 0.64
- -gamma 5.0 0
-Cu+2 + e- = Cu+
- -log_k 2.72
- -delta_h 1.65 kcal
- -gamma 2.5 0
-Cu+ + 2Cl- = CuCl2-
- -log_k 5.50
- -delta_h -0.42 kcal
- -gamma 4.0 0
-Cu+ + 3Cl- = CuCl3-2
- -log_k 5.70
- -delta_h 0.26 kcal
- -gamma 5.0 0.0
-Cu+2 + CO3-2 = CuCO3
- -log_k 6.73
-Cu+2 + 2CO3-2 = Cu(CO3)2-2
- -log_k 9.83
-Cu+2 + HCO3- = CuHCO3+
- -log_k 2.7
-Cu+2 + Cl- = CuCl+
- -log_k 0.43
- -delta_h 8.65 kcal
- -gamma 4.0 0
- -Vm -4.19 0 30.4 0 0 4 0 0 1.94e-2 1 # ref. 2
-Cu+2 + 2Cl- = CuCl2
- -log_k 0.16
- -delta_h 10.56 kcal
- -Vm 26.8 0 -136 # ref. 2
-Cu+2 + 3Cl- = CuCl3-
- -log_k -2.29
- -delta_h 13.69 kcal
- -gamma 4.0 0
-Cu+2 + 4Cl- = CuCl4-2
- -log_k -4.59
- -delta_h 17.78 kcal
- -gamma 5.0 0
-Cu+2 + F- = CuF+
- -log_k 1.26
- -delta_h 1.62 kcal
-Cu+2 + H2O = CuOH+ + H+
- -log_k -8.0
- -gamma 4.0 0
-Cu+2 + 2 H2O = Cu(OH)2 + 2 H+
- -log_k -13.68
-Cu+2 + 3 H2O = Cu(OH)3- + 3 H+
- -log_k -26.9
-Cu+2 + 4 H2O = Cu(OH)4-2 + 4 H+
- -log_k -39.6
-2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+
- -log_k -10.359
- -delta_h 17.539 kcal
- -analytical 2.497 0.0 -3833.0
-Cu+2 + SO4-2 = CuSO4
- -log_k 2.31
- -delta_h 1.220 kcal
- -Vm 5.21 0 -14.6 # ref. 2
-Cu+2 + 3HS- = Cu(HS)3-
- -log_k 25.9
-Zn+2 + H2O = ZnOH+ + H+
- -log_k -8.96
- -delta_h 13.4 kcal
-Zn+2 + 2 H2O = Zn(OH)2 + 2 H+
- -log_k -16.9
-Zn+2 + 3 H2O = Zn(OH)3- + 3 H+
- -log_k -28.4
-Zn+2 + 4 H2O = Zn(OH)4-2 + 4 H+
- -log_k -41.2
-Zn+2 + Cl- = ZnCl+
- -log_k 0.43
- -delta_h 7.79 kcal
- -gamma 4.0 0
- -Vm 14.8 -3.91 -105.7 -2.62 0.203 4 0 0 -5.05e-2 1 # ref. 2
-Zn+2 + 2 Cl- = ZnCl2
- -log_k 0.45
- -delta_h 8.5 kcal
- -Vm -10.1 4.57 241 -2.97 -1e-3 # ref. 2
-Zn+2 + 3Cl- = ZnCl3-
- -log_k 0.5
- -delta_h 9.56 kcal
- -gamma 4.0 0
- -Vm 0.772 15.5 -0.349 -3.42 1.25 0 -7.77 0 0 1 # ref. 2
-Zn+2 + 4Cl- = ZnCl4-2
- -log_k 0.2
- -delta_h 10.96 kcal
- -gamma 5.0 0
- -Vm 28.42 28 -5.26 -3.94 2.67 0 0 0 4.62e-2 1 # ref. 2
-Zn+2 + H2O + Cl- = ZnOHCl + H+
- -log_k -7.48
-Zn+2 + 2HS- = Zn(HS)2
- -log_k 14.94
-Zn+2 + 3HS- = Zn(HS)3-
- -log_k 16.1
-Zn+2 + CO3-2 = ZnCO3
- -log_k 5.3
-Zn+2 + 2CO3-2 = Zn(CO3)2-2
- -log_k 9.63
-Zn+2 + HCO3- = ZnHCO3+
- -log_k 2.1
-Zn+2 + SO4-2 = ZnSO4
- -log_k 2.37
- -delta_h 1.36 kcal
- -Vm 2.51 0 18.8 # ref. 2
-Zn+2 + 2SO4-2 = Zn(SO4)2-2
- -log_k 3.28
- -Vm 10.9 0 -98.7 0 0 0 24 0 -0.236 1 # ref. 2
-Zn+2 + Br- = ZnBr+
- -log_k -0.58
-Zn+2 + 2Br- = ZnBr2
- -log_k -0.98
-Zn+2 + F- = ZnF+
- -log_k 1.15
- -delta_h 2.22 kcal
-Cd+2 + H2O = CdOH+ + H+
- -log_k -10.08
- -delta_h 13.1 kcal
-Cd+2 + 2 H2O = Cd(OH)2 + 2 H+
- -log_k -20.35
-Cd+2 + 3 H2O = Cd(OH)3- + 3 H+
- -log_k -33.3
-Cd+2 + 4 H2O = Cd(OH)4-2 + 4 H+
- -log_k -47.35
-2Cd+2 + H2O = Cd2OH+3 + H+
- -log_k -9.39
- -delta_h 10.9 kcal
-Cd+2 + H2O + Cl- = CdOHCl + H+
- -log_k -7.404
- -delta_h 4.355 kcal
-Cd+2 + NO3- = CdNO3+
- -log_k 0.4
- -delta_h -5.2 kcal
- -Vm 5.95 0 -1.11 0 2.67 7 0 0 1.53e-2 1 # ref. 2
-Cd+2 + Cl- = CdCl+
- -log_k 1.98
- -delta_h 0.59 kcal
- -Vm 5.69 0 -30.2 0 0 6 0 0 0.112 1 # ref. 2
-Cd+2 + 2 Cl- = CdCl2
- -log_k 2.6
- -delta_h 1.24 kcal
- -Vm 5.53 # ref. 2
-Cd+2 + 3 Cl- = CdCl3-
- -log_k 2.4
- -delta_h 3.9 kcal
- -Vm 4.6 0 83.9 0 0 0 0 0 0 1 # ref. 2
-Cd+2 + CO3-2 = CdCO3
- -log_k 2.9
-Cd+2 + 2CO3-2 = Cd(CO3)2-2
- -log_k 6.4
-Cd+2 + HCO3- = CdHCO3+
- -log_k 1.5
-Cd+2 + SO4-2 = CdSO4
- -log_k 2.46
- -delta_h 1.08 kcal
- -Vm 10.4 0 57.9 # ref. 2
-Cd+2 + 2SO4-2 = Cd(SO4)2-2
- -log_k 3.5
- -Vm -6.29 0 -93 0 9.5 7 0 0 0 1 # ref. 2
-Cd+2 + Br- = CdBr+
- -log_k 2.17
- -delta_h -0.81 kcal
-Cd+2 + 2Br- = CdBr2
- -log_k 2.9
-Cd+2 + F- = CdF+
- -log_k 1.1
-Cd+2 + 2F- = CdF2
- -log_k 1.5
-Cd+2 + HS- = CdHS+
- -log_k 10.17
-Cd+2 + 2HS- = Cd(HS)2
- -log_k 16.53
-Cd+2 + 3HS- = Cd(HS)3-
- -log_k 18.71
-Cd+2 + 4HS- = Cd(HS)4-2
- -log_k 20.9
-Pb+2 + H2O = PbOH+ + H+
- -log_k -7.71
-Pb+2 + 2 H2O = Pb(OH)2 + 2 H+
- -log_k -17.12
-Pb+2 + 3 H2O = Pb(OH)3- + 3 H+
- -log_k -28.06
-Pb+2 + 4 H2O = Pb(OH)4-2 + 4 H+
- -log_k -39.7
-2 Pb+2 + H2O = Pb2OH+3 + H+
- -log_k -6.36
-Pb+2 + Cl- = PbCl+
- -log_k 1.6
- -delta_h 4.38 kcal
- -Vm 2.8934 -.7165 6.0316 -2.7494 .1281 6 # supcrt
-Pb+2 + 2 Cl- = PbCl2
- -log_k 1.8
- -delta_h 1.08 kcal
- -Vm 6.5402 8.1879 2.5318 -3.1175 -.0300 # supcrt
-Pb+2 + 3 Cl- = PbCl3-
- -log_k 1.7
- -delta_h 2.17 kcal
- -Vm 11.0396 19.1743 -1.7863 -3.5717 .7356 # supcrt
-Pb+2 + 4 Cl- = PbCl4-2
- -log_k 1.38
- -delta_h 3.53 kcal
- -Vm 16.4150 32.2997 -6.9452 -4.1143 2.3118 # supcrt
-Pb+2 + CO3-2 = PbCO3
- -log_k 7.24
-Pb+2 + 2 CO3-2 = Pb(CO3)2-2
- -log_k 10.64
-Pb+2 + HCO3- = PbHCO3+
- -log_k 2.9
-Pb+2 + SO4-2 = PbSO4
- -log_k 2.75
-Pb+2 + 2 SO4-2 = Pb(SO4)2-2
- -log_k 3.47
-Pb+2 + 2HS- = Pb(HS)2
- -log_k 15.27
-Pb+2 + 3HS- = Pb(HS)3-
- -log_k 16.57
-3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+
- -log_k -23.88
- -delta_h 26.5 kcal
-Pb+2 + NO3- = PbNO3+
- -log_k 1.17
-Pb+2 + Br- = PbBr+
- -log_k 1.77
- -delta_h 2.88 kcal
-Pb+2 + 2Br- = PbBr2
- -log_k 1.44
-Pb+2 + F- = PbF+
- -log_k 1.25
-Pb+2 + 2F- = PbF2
- -log_k 2.56
-Pb+2 + 3F- = PbF3-
- -log_k 3.42
-Pb+2 + 4F- = PbF4-2
- -log_k 3.1
-
-PHASES
-Calcite
- CaCO3 = CO3-2 + Ca+2
- -log_k -8.48
- -delta_h -2.297 kcal
- -analytic -171.9065 -0.077993 2839.319 71.595
- -Vm 36.9 cm3/mol # MW (100.09 g/mol) / rho (2.71 g/cm3)
-Aragonite
- CaCO3 = CO3-2 + Ca+2
- -log_k -8.336
- -delta_h -2.589 kcal
- -analytic -171.9773 -0.077993 2903.293 71.595
- -Vm 34.04
-Dolomite
- CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2
- -log_k -17.09
- -delta_h -9.436 kcal
- -Vm 64.5
-Siderite
- FeCO3 = Fe+2 + CO3-2
- -log_k -10.89
- -delta_h -2.480 kcal
- -Vm 29.2
-Rhodochrosite
- MnCO3 = Mn+2 + CO3-2
- -log_k -11.13
- -delta_h -1.430 kcal
- -Vm 31.1
-Strontianite
- SrCO3 = Sr+2 + CO3-2
- -log_k -9.271
- -delta_h -0.400 kcal
- -analytic 155.0305 0.0 -7239.594 -56.58638
- -Vm 39.69
-Witherite
- BaCO3 = Ba+2 + CO3-2
- -log_k -8.562
- -delta_h 0.703 kcal
- -analytic 607.642 0.121098 -20011.25 -236.4948
- -Vm 46
-Gypsum
- CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O
- -log_k -4.58
- -delta_h -0.109 kcal
- -analytic 68.2401 0.0 -3221.51 -25.0627
- -analytical_expression 93.7 5.99E-03 -4e3 -35.019 # better fits the appendix data of Appelo, 2015, AG 55, 62
- -Vm 73.9 # 172.18 / 2.33 (Vm H2O = 13.9 cm3/mol)
-Anhydrite
- CaSO4 = Ca+2 + SO4-2
- -log_k -4.36
- -delta_h -1.710 kcal
- -analytic 84.90 0 -3135.12 -31.79 # 50 - 160oC, 1 - 1e3 atm, anhydrite dissolution, Blount and Dickson, 1973, Am. Mineral. 58, 323.
- -Vm 46.1 # 136.14 / 2.95
-Celestite
- SrSO4 = Sr+2 + SO4-2
- -log_k -6.63
- -delta_h -4.037 kcal
-# -analytic -14805.9622 -2.4660924 756968.533 5436.3588 -40553604.0
- -analytic -7.14 6.11e-3 75 0 0 -1.79e-5 # Howell et al., 1992, JCED 37, 464.
- -Vm 46.4
-Barite
- BaSO4 = Ba+2 + SO4-2
- -log_k -9.97
- -delta_h 6.35 kcal
- -analytical_expression -282.43 -8.972e-2 5822 113.08 # Blount 1977; Templeton, 1960
- -Vm 52.9
-Hydroxyapatite
- Ca5(PO4)3OH + 4 H+ = H2O + 3 HPO4-2 + 5 Ca+2
- -log_k -3.421
- -delta_h -36.155 kcal
- -Vm 128.9
-Fluorite
- CaF2 = Ca+2 + 2 F-
- -log_k -10.6
- -delta_h 4.69 kcal
- -analytic 66.348 0.0 -4298.2 -25.271
- -Vm 15.7
-SiO2(a)
- SiO2 + 2 H2O = H4SiO4
- -log_k -2.71
- -delta_h 3.340 kcal
- -analytic -0.26 0.0 -731.0
-Chalcedony
- SiO2 + 2 H2O = H4SiO4
- -log_k -3.55
- -delta_h 4.720 kcal
- -analytic -0.09 0.0 -1032.0
- -Vm 23.1
-Quartz
- SiO2 + 2 H2O = H4SiO4
- -log_k -3.98
- -delta_h 5.990 kcal
- -analytic 0.41 0.0 -1309.0
- -Vm 22.67
-Gibbsite
- Al(OH)3 + 3 H+ = Al+3 + 3 H2O
- -log_k 8.11
- -delta_h -22.800 kcal
- -Vm 32.22
-Al(OH)3(a)
- Al(OH)3 + 3 H+ = Al+3 + 3 H2O
- -log_k 10.8
- -delta_h -26.500 kcal
-Kaolinite
- Al2Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 2 Al+3
- -log_k 7.435
- -delta_h -35.300 kcal
- -Vm 99.35
-Albite
- NaAlSi3O8 + 8 H2O = Na+ + Al(OH)4- + 3 H4SiO4
- -log_k -18.002
- -delta_h 25.896 kcal
- -Vm 101.31
-Anorthite
- CaAl2Si2O8 + 8 H2O = Ca+2 + 2 Al(OH)4- + 2 H4SiO4
- -log_k -19.714
- -delta_h 11.580 kcal
- -Vm 105.05
-K-feldspar
- KAlSi3O8 + 8 H2O = K+ + Al(OH)4- + 3 H4SiO4
- -log_k -20.573
- -delta_h 30.820 kcal
- -Vm 108.15
-K-mica
- KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 H4SiO4
- -log_k 12.703
- -delta_h -59.376 kcal
-Chlorite(14A)
- Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 + 3H4SiO4 + 6H2O
- -log_k 68.38
- -delta_h -151.494 kcal
-Ca-Montmorillonite
- Ca0.165Al2.33Si3.67O10(OH)2 + 12 H2O = 0.165Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+
- -log_k -45.027
- -delta_h 58.373 kcal
- -Vm 156.16
-Talc
- Mg3Si4O10(OH)2 + 4 H2O + 6 H+ = 3 Mg+2 + 4 H4SiO4
- -log_k 21.399
- -delta_h -46.352 kcal
- -Vm 68.34
-Illite
- K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2H2O = 0.6K+ + 0.25Mg+2 + 2.3Al(OH)4- + 3.5H4SiO4 + 1.2H+
- -log_k -40.267
- -delta_h 54.684 kcal
- -Vm 141.48
-Chrysotile
- Mg3Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 3 Mg+2
- -log_k 32.2
- -delta_h -46.800 kcal
- -analytic 13.248 0.0 10217.1 -6.1894
- -Vm 106.5808 # 277.11/2.60
-Sepiolite
- Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4
- -log_k 15.760
- -delta_h -10.700 kcal
- -Vm 143.765
-Sepiolite(d)
- Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4
- -log_k 18.66
-Hematite
- Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O
- -log_k -4.008
- -delta_h -30.845 kcal
- -Vm 30.39
-Goethite
- FeOOH + 3 H+ = Fe+3 + 2 H2O
- -log_k -1.0
- -delta_h -14.48 kcal
- -Vm 20.84
-Fe(OH)3(a)
- Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O
- -log_k 4.891
-Pyrite
- FeS2 + 2 H+ + 2 e- = Fe+2 + 2 HS-
- -log_k -18.479
- -delta_h 11.300 kcal
- -Vm 23.48
-FeS(ppt)
- FeS + H+ = Fe+2 + HS-
- -log_k -3.915
-Mackinawite
- FeS + H+ = Fe+2 + HS-
- -log_k -4.648
- -Vm 20.45
-Sulfur
- S + 2H+ + 2e- = H2S
- -log_k 4.882
- -delta_h -9.5 kcal
-Vivianite
- Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O
- -log_k -36.0
-Pyrolusite # H2O added for surface calc's
- MnO2:H2O + 4 H+ + 2 e- = Mn+2 + 3 H2O
- -log_k 41.38
- -delta_h -65.110 kcal
-Hausmannite
- Mn3O4 + 8 H+ + 2 e- = 3 Mn+2 + 4 H2O
- -log_k 61.03
- -delta_h -100.640 kcal
-Manganite
- MnOOH + 3 H+ + e- = Mn+2 + 2 H2O
- -log_k 25.34
-Pyrochroite
- Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O
- -log_k 15.2
-Halite
- NaCl = Cl- + Na+
- log_k 1.570
- -delta_h 1.37
- #-analytic -713.4616 -.1201241 37302.21 262.4583 -2106915.
- -Vm 27.1
-Sylvite
- KCl = K+ + Cl-
- log_k 0.900
- -delta_h 8.5
- # -analytic 3.984 0.0 -919.55
- Vm 37.5
-CO2(g)
- CO2 = CO2
- -log_k -1.468
- -delta_h -4.776 kcal
- -analytic 10.5624 -2.3547e-2 -3972.8 0 5.8746e5 1.9194e-5
- -T_c 304.2 # critical T, K
- -P_c 72.86 # critical P, atm
- -Omega 0.225 # acentric factor
-H2O(g)
- H2O = H2O
- -log_k 1.506; delta_h -44.03 kJ
- -T_c 647.3
- -P_c 217.60
- -Omega 0.344
- -analytic -16.5066 -2.0013E-3 2710.7 3.7646 0 2.24E-6
-
-# Gases from LLNL...
-O2(g)
- O2 = O2
- -log_k -2.8983
- -analytic -7.5001 7.8981e-3 0.0 0.0 2.0027e5
- -T_c 154.6; -P_c 49.80; -Omega 0.021
-H2(g)
- H2 = H2
- -log_k -3.1050
- -delta_h -4.184 kJ
- -analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5
- -T_c 33.2; -P_c 12.80; -Omega -0.225
-N2(g)
- N2 = N2
- -log_k -3.1864
- -analytic -58.453 1.818e-3 3199 17.909 -27460
- -T_c 126.2; -P_c 33.50; -Omega 0.039
-H2S(g)
- H2S = H+ + HS-
- -log_k -7.9759
- -analytic -97.354 -3.1576e-2 1.8285e3 37.44 28.56
- -T_c 373.2; -P_c 88.20; -Omega 0.1
-CH4(g)
- CH4 = CH4
- -log_k -2.8
- -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C
- -T_c 190.6 ; -P_c 45.40 ; -Omega 0.008
-#Amm(g)
-# Amm = Amm
-NH3(g)
- NH3 = NH3
- -log_k 1.7966
- -analytic -18.758 3.3670e-4 2.5113e3 4.8619 39.192
- -T_c 405.6; -P_c 111.3; -Omega 0.25
-# redox-uncoupled gases
-Oxg(g)
- Oxg = Oxg
- -analytic -7.5001 7.8981e-3 0.0 0.0 2.0027e5
- -T_c 154.6 ; -P_c 49.80 ; -Omega 0.021
-Hdg(g)
- Hdg = Hdg
- -analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5
- -T_c 33.2 ; -P_c 12.80 ; -Omega -0.225
-Ntg(g)
- Ntg = Ntg
- -analytic -58.453 1.81800e-3 3199 17.909 -27460
- T_c 126.2 ; -P_c 33.50 ; -Omega 0.039
-Mtg(g)
- Mtg = Mtg
- -log_k -2.8
- -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C
- -T_c 190.6 ; -P_c 45.40 ; -Omega 0.008
-H2Sg(g)
- H2Sg = H+ + HSg-
- -analytic -97.354 -3.1576e-2 1.8285e3 37.44 28.56
- -T_c 373.2 ; -P_c 88.20 ; -Omega 0.1
-Melanterite
- FeSO4:7H2O = 7 H2O + Fe+2 + SO4-2
- -log_k -2.209
- -delta_h 4.910 kcal
- -analytic 1.447 -0.004153 0.0 0.0 -214949.0
-Alunite
- KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6H2O
- -log_k -1.4
- -delta_h -50.250 kcal
-Jarosite-K
- KFe3(SO4)2(OH)6 + 6 H+ = 3 Fe+3 + 6 H2O + K+ + 2 SO4-2
- -log_k -9.21
- -delta_h -31.280 kcal
-Zn(OH)2(e)
- Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
- -log_k 11.5
-Smithsonite
- ZnCO3 = Zn+2 + CO3-2
- -log_k -10.0
- -delta_h -4.36 kcal
-Sphalerite
- ZnS + H+ = Zn+2 + HS-
- -log_k -11.618
- -delta_h 8.250 kcal
-Willemite 289
- Zn2SiO4 + 4H+ = 2Zn+2 + H4SiO4
- -log_k 15.33
- -delta_h -33.37 kcal
-Cd(OH)2
- Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O
- -log_k 13.65
-Otavite 315
- CdCO3 = Cd+2 + CO3-2
- -log_k -12.1
- -delta_h -0.019 kcal
-CdSiO3 328
- CdSiO3 + H2O + 2H+ = Cd+2 + H4SiO4
- -log_k 9.06
- -delta_h -16.63 kcal
-CdSO4 329
- CdSO4 = Cd+2 + SO4-2
- -log_k -0.1
- -delta_h -14.74 kcal
-Cerussite 365
- PbCO3 = Pb+2 + CO3-2
- -log_k -13.13
- -delta_h 4.86 kcal
-Anglesite 384
- PbSO4 = Pb+2 + SO4-2
- -log_k -7.79
- -delta_h 2.15 kcal
-Pb(OH)2 389
- Pb(OH)2 + 2H+ = Pb+2 + 2H2O
- -log_k 8.15
- -delta_h -13.99 kcal
-
-EXCHANGE_MASTER_SPECIES
- X X-
-EXCHANGE_SPECIES
- X- = X-
- -log_k 0.0
-
- Na+ + X- = NaX
- -log_k 0.0
- -gamma 4.08 0.082
-
- K+ + X- = KX
- -log_k 0.7
- -gamma 3.5 0.015
- -delta_h -4.3 # Jardine & Sparks, 1984
-
- Li+ + X- = LiX
- -log_k -0.08
- -gamma 6.0 0
- -delta_h 1.4 # Merriam & Thomas, 1956
-
-# !!!!!
-# H+ + X- = HX
-# -log_k 1.0
-# -gamma 9.0 0
-
-# AmmH+ + X- = AmmHX
- NH4+ + X- = NH4X
- -log_k 0.6
- -gamma 2.5 0
- -delta_h -2.4 # Laudelout et al., 1968
-
- Ca+2 + 2X- = CaX2
- -log_k 0.8
- -gamma 5.0 0.165
- -delta_h 7.2 # Van Bladel & Gheyl, 1980
-
- Mg+2 + 2X- = MgX2
- -log_k 0.6
- -gamma 5.5 0.2
- -delta_h 7.4 # Laudelout et al., 1968
-
- Sr+2 + 2X- = SrX2
- -log_k 0.91
- -gamma 5.26 0.121
- -delta_h 5.5 # Laudelout et al., 1968
-
- Ba+2 + 2X- = BaX2
- -log_k 0.91
- -gamma 4.0 0.153
- -delta_h 4.5 # Laudelout et al., 1968
-
- Mn+2 + 2X- = MnX2
- -log_k 0.52
- -gamma 6.0 0
-
- Fe+2 + 2X- = FeX2
- -log_k 0.44
- -gamma 6.0 0
-
- Cu+2 + 2X- = CuX2
- -log_k 0.6
- -gamma 6.0 0
-
- Zn+2 + 2X- = ZnX2
- -log_k 0.8
- -gamma 5.0 0
-
- Cd+2 + 2X- = CdX2
- -log_k 0.8
- -gamma 0.0 0
-
- Pb+2 + 2X- = PbX2
- -log_k 1.05
- -gamma 0.0 0
-
- Al+3 + 3X- = AlX3
- -log_k 0.41
- -gamma 9.0 0
-
- AlOH+2 + 2X- = AlOHX2
- -log_k 0.89
- -gamma 0.0 0
-
-SURFACE_MASTER_SPECIES
- Hfo_s Hfo_sOH
- Hfo_w Hfo_wOH
-SURFACE_SPECIES
-# All surface data from
-# Dzombak and Morel, 1990
-#
-#
-# Acid-base data from table 5.7
-#
-# strong binding site--Hfo_s,
-
- Hfo_sOH = Hfo_sOH
- -log_k 0
-
- Hfo_sOH + H+ = Hfo_sOH2+
- -log_k 7.29 # = pKa1,int
-
- Hfo_sOH = Hfo_sO- + H+
- -log_k -8.93 # = -pKa2,int
-
-# weak binding site--Hfo_w
-
- Hfo_wOH = Hfo_wOH
- -log_k 0
-
- Hfo_wOH + H+ = Hfo_wOH2+
- -log_k 7.29 # = pKa1,int
-
- Hfo_wOH = Hfo_wO- + H+
- -log_k -8.93 # = -pKa2,int
-###############################################
-# CATIONS #
-###############################################
-#
-# Cations from table 10.1 or 10.5
-#
-# Calcium
- Hfo_sOH + Ca+2 = Hfo_sOHCa+2
- -log_k 4.97
-
- Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+
- -log_k -5.85
-# Strontium
- Hfo_sOH + Sr+2 = Hfo_sOHSr+2
- -log_k 5.01
-
- Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+
- -log_k -6.58
-
- Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+
- -log_k -17.6
-# Barium
- Hfo_sOH + Ba+2 = Hfo_sOHBa+2
- -log_k 5.46
-
- Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+
- -log_k -7.2 # table 10.5
-#
-# Cations from table 10.2
-#
-# Cadmium
- Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+
- -log_k 0.47
-
- Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+
- -log_k -2.91
-# Zinc
- Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+
- -log_k 0.99
-
- Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+
- -log_k -1.99
-# Copper
- Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+
- -log_k 2.89
-
- Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+
- -log_k 0.6 # table 10.5
-# Lead
- Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+
- -log_k 4.65
-
- Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+
- -log_k 0.3 # table 10.5
-#
-# Derived constants table 10.5
-#
-# Magnesium
- Hfo_wOH + Mg+2 = Hfo_wOMg+ + H+
- -log_k -4.6
-# Manganese
- Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+
- -log_k -0.4 # table 10.5
-
- Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+
- -log_k -3.5 # table 10.5
-# Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, EST 36, 3096
- Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+
- -log_k -0.95
-# Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M
- Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+
- -log_k -2.98
-
- Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2H+
- -log_k -11.55
-###############################################
-# ANIONS #
-###############################################
-#
-# Anions from table 10.6
-#
-# Phosphate
- Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O
- -log_k 31.29
-
- Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O
- -log_k 25.39
-
- Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O
- -log_k 17.72
-#
-# Anions from table 10.7
-#
-# Borate
- Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O
- -log_k 0.62
-#
-# Anions from table 10.8
-#
-# Sulfate
- Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O
- -log_k 7.78
-
- Hfo_wOH + SO4-2 = Hfo_wOHSO4-2
- -log_k 0.79
-#
-# Derived constants table 10.10
-#
- Hfo_wOH + F- + H+ = Hfo_wF + H2O
- -log_k 8.7
-
- Hfo_wOH + F- = Hfo_wOHF-
- -log_k 1.6
-#
-# Carbonate: Van Geen et al., 1994 reoptimized for D&M model
-#
- Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O
- -log_k 12.56
-
- Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O
- -log_k 20.62
-
-RATES
-
-###########
-#Quartz
-###########
-#
-#######
-# Example of quartz kinetic rates block:
-# KINETICS
-# Quartz
-# -m0 158.8 # 90 % Qu
-# -parms 0.146 1.5
-# -step 3.1536e8 in 10
-# -tol 1e-12
-
-Quartz
- -start
-1 REM Specific rate k from Rimstidt and Barnes, 1980, GCA 44,1683
-2 REM k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol
-3 REM sp. rate * parm(2) due to salts (Dove and Rimstidt, MSA Rev. 29, 259)
-4 REM PARM(1) = Specific area of Quartz, m^2/mol Quartz
-5 REM PARM(2) = salt correction: (1 + 1.5 * c_Na (mM)), < 35
-
-10 dif_temp = 1/TK - 1/298
-20 pk_w = 13.7 + 4700.4 * dif_temp
-40 moles = PARM(1) * M0 * PARM(2) * (M/M0)^0.67 * 10^-pk_w * (1 - SR("Quartz"))
-# Integrate...
-50 SAVE moles * TIME
- -end
-
-###########
-#K-feldspar
-###########
-#
-# Sverdrup and Warfvinge, 1995, Estimating field weathering rates
-# using laboratory kinetics: Reviews in mineralogy and geochemistry,
-# vol. 31, p. 485-541.
-#
-# As described in:
-# Appelo and Postma, 2005, Geochemistry, groundwater
-# and pollution, 2nd Edition: A.A. Balkema Publishers,
-# p. 162-163 and 395-399.
-#
-# Assume soil is 10% K-feldspar by mass in 1 mm spheres (radius 0.05 mm)
-# Assume density of rock and Kspar is 2600 kg/m^3 = 2.6 kg/L
-# GFW Kspar 0.278 kg/mol
-#
-# Moles of Kspar per liter pore space calculation:
-# Mass of rock per liter pore space = 0.7*2.6/0.3 = 6.07 kg rock/L pore space
-# Mass of Kspar per liter pore space 6.07x0.1 = 0.607 kg Kspar/L pore space
-# Moles of Kspar per liter pore space 0.607/0.278 = 2.18 mol Kspar/L pore space
-#
-# Specific area calculation:
-# Volume of sphere 4/3 x pi x r^3 = 5.24e-13 m^3 Kspar/sphere
-# Mass of sphere 2600 x 5.24e-13 = 1.36e-9 kg Kspar/sphere
-# Moles of Kspar in sphere 1.36e-9/0.278 = 4.90e-9 mol Kspar/sphere
-# Surface area of one sphere 4 x pi x r^2 = 3.14e-8 m^2/sphere
-# Specific area of K-feldspar in sphere 3.14e-8/4.90e-9 = 6.41 m^2/mol Kspar
-#
-#
-# Example of KINETICS data block for K-feldspar rate:
-# KINETICS 1
-# K-feldspar
-# -m0 2.18 # 10% Kspar, 0.1 mm cubes
-# -m 2.18 # Moles per L pore space
-# -parms 6.41 0.1 # m^2/mol Kspar, fraction adjusts lab rate to field rate
-# -time 1.5 year in 40
-
-K-feldspar
- -start
-1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
-2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar
-3 REM PARM(2) = Adjusts lab rate to field rate
-4 REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
-5 REM K-Feldspar parameters
-10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3
-20 RESTORE 10
-30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
-40 DATA 3500, 2000, 2500, 2000
-50 RESTORE 40
-60 READ e_H, e_H2O, e_OH, e_CO2
-70 pk_CO2 = 13
-80 n_CO2 = 0.6
-100 REM Generic rate follows
-110 dif_temp = 1/TK - 1/281
-120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
-130 REM rate by H+
-140 pk_H = pk_H + e_H * dif_temp
-150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
-160 REM rate by hydrolysis
-170 pk_H2O = pk_H2O + e_H2O * dif_temp
-180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC)
-190 REM rate by OH-
-200 pk_OH = pk_OH + e_OH * dif_temp
-210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH
-220 REM rate by CO2
-230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp
-240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2
-250 rate = rate_H + rate_H2O + rate_OH + rate_CO2
-260 area = PARM(1) * M0 *(M/M0)^0.67
-270 rate = PARM(2) * area * rate * (1-SR("K-feldspar"))
-280 moles = rate * TIME
-290 SAVE moles
- -end
-
-
-###########
-#Albite
-###########
-#
-# Sverdrup and Warfvinge, 1995, Estimating field weathering rates
-# using laboratory kinetics: Reviews in mineralogy and geochemistry,
-# vol. 31, p. 485-541.
-#
-# As described in:
-# Appelo and Postma, 2005, Geochemistry, groundwater
-# and pollution, 2nd Edition: A.A. Balkema Publishers,
-# p. 162-163 and 395-399.
-#
-# Example of KINETICS data block for Albite rate:
-# KINETICS 1
-# Albite
-# -m0 0.46 # 2% Albite, 0.1 mm cubes
-# -m 0.46 # Moles per L pore space
-# -parms 6.04 0.1 # m^2/mol Albite, fraction adjusts lab rate to field rate
-# -time 1.5 year in 40
-#
-# Assume soil is 2% Albite by mass in 1 mm spheres (radius 0.05 mm)
-# Assume density of rock and Albite is 2600 kg/m^3 = 2.6 kg/L
-# GFW Albite 0.262 kg/mol
-#
-# Moles of Albite per liter pore space calculation:
-# Mass of rock per liter pore space = 0.7*2.6/0.3 = 6.07 kg rock/L pore space
-# Mass of Albite per liter pore space 6.07x0.02 = 0.121 kg Albite/L pore space
-# Moles of Albite per liter pore space 0.607/0.262 = 0.46 mol Albite/L pore space
-#
-# Specific area calculation:
-# Volume of sphere 4/3 x pi x r^3 = 5.24e-13 m^3 Albite/sphere
-# Mass of sphere 2600 x 5.24e-13 = 1.36e-9 kg Albite/sphere
-# Moles of Albite in sphere 1.36e-9/0.262 = 5.20e-9 mol Albite/sphere
-# Surface area of one sphere 4 x pi x r^2 = 3.14e-8 m^2/sphere
-# Specific area of Albite in sphere 3.14e-8/5.20e-9 = 6.04 m^2/mol Albite
-
-Albite
- -start
-1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
-2 REM PARM(1) = Specific area of Albite m^2/mol Albite
-3 REM PARM(2) = Adjusts lab rate to field rate
-4 REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
-5 REM Albite parameters
-10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3
-20 RESTORE 10
-30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
-40 DATA 3500, 2000, 2500, 2000
-50 RESTORE 40
-60 READ e_H, e_H2O, e_OH, e_CO2
-70 pk_CO2 = 13
-80 n_CO2 = 0.6
-100 REM Generic rate follows
-110 dif_temp = 1/TK - 1/281
-120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
-130 REM rate by H+
-140 pk_H = pk_H + e_H * dif_temp
-150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
-160 REM rate by hydrolysis
-170 pk_H2O = pk_H2O + e_H2O * dif_temp
-180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC)
-190 REM rate by OH-
-200 pk_OH = pk_OH + e_OH * dif_temp
-210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH
-220 REM rate by CO2
-230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp
-240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2
-250 rate = rate_H + rate_H2O + rate_OH + rate_CO2
-260 area = PARM(1) * M0 *(M/M0)^0.67
-270 rate = PARM(2) * area * rate * (1-SR("Albite"))
-280 moles = rate * TIME
-290 SAVE moles
- -end
-
-########
-#Calcite
-########
-# Example of KINETICS data block for calcite rate,
-# in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257.
-# KINETICS 1
-# Calcite
-# -tol 1e-8
-# -m0 3.e-3
-# -m 3.e-3
-# -parms 1.67e5 0.6 # cm^2/mol calcite, exp factor
-# -time 1 day
-
-Calcite
- -start
-1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite
-2 REM PARM(2) = exponent for M/M0
-
-10 si_cc = SI("Calcite")
-20 IF (M <= 0 and si_cc < 0) THEN GOTO 200
-30 k1 = 10^(0.198 - 444.0 / TK )
-40 k2 = 10^(2.84 - 2177.0 /TK )
-50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317.0 / TK)
-60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737.0 / TK )
-80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M
-110 rate = area * (k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O"))
-120 rate = rate * (1 - 10^(2/3*si_cc))
-130 moles = rate * 0.001 * TIME # convert from mmol to mol
-200 SAVE moles
- -end
-
-#######
-#Pyrite
-#######
-#
-# Williamson, M.A. and Rimstidt, J.D., 1994,
-# Geochimica et Cosmochimica Acta, v. 58, p. 5443-5454,
-# rate equation is mol m^-2 s^-1.
-#
-# Example of KINETICS data block for pyrite rate:
-# KINETICS 1
-# Pyrite
-# -tol 1e-8
-# -m0 5.e-4
-# -m 5.e-4
-# -parms 0.3 0.67 .5 -0.11
-# -time 1 day in 10
-Pyrite
- -start
-1 REM Williamson and Rimstidt, 1994
-2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite)
-3 REM PARM(2) = exp for (M/M0)
-4 REM PARM(3) = exp for O2
-5 REM PARM(4) = exp for H+
-
-10 REM Dissolution in presence of DO
-20 if (M <= 0) THEN GOTO 200
-30 if (SI("Pyrite") >= 0) THEN GOTO 200
-40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+")
-50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0)
-60 moles = 10^(log_area + log_rate) * TIME
-200 SAVE moles
- -end
-
-##########
-#Organic_C
-##########
-#
-# Example of KINETICS data block for SOC (sediment organic carbon):
-# KINETICS 1
-# Organic_C
-# -formula C
-# -tol 1e-8
-# -m 5e-3 # SOC in mol
-# -time 30 year in 15
-Organic_C
- -start
-1 REM Additive Monod kinetics for SOC (sediment organic carbon)
-2 REM Electron acceptors: O2, NO3, and SO4
-
-10 if (M <= 0) THEN GOTO 200
-20 mO2 = MOL("O2")
-30 mNO3 = TOT("N(5)")
-40 mSO4 = TOT("S(6)")
-50 k_O2 = 1.57e-9 # 1/sec
-60 k_NO3 = 1.67e-11 # 1/sec
-70 k_SO4 = 1.e-13 # 1/sec
-80 rate = k_O2 * mO2/(2.94e-4 + mO2)
-90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3)
-100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4)
-110 moles = rate * M * (M/M0) * TIME
-200 SAVE moles
- -end
-
-###########
-#Pyrolusite
-###########
-#
-# Postma, D. and Appelo, C.A.J., 2000, GCA, vol. 64, pp. 1237-1247.
-# Rate equation given as mol L^-1 s^-1
-#
-# Example of KINETICS data block for Pyrolusite
-# KINETICS 1-12
-# Pyrolusite
-# -tol 1.e-7
-# -m0 0.1
-# -m 0.1
-# -time 0.5 day in 10
-Pyrolusite
- -start
-10 if (M <= 0) THEN GOTO 200
-20 sr_pl = SR("Pyrolusite")
-30 if (sr_pl > 1) THEN GOTO 100
-40 REM sr_pl <= 1, undersaturated
-50 Fe_t = TOT("Fe(2)")
-60 if Fe_t < 1e-8 then goto 200
-70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl)
-80 GOTO 200
-100 REM sr_pl > 1, supersaturated
-110 moles = 2e-3 * 6.98e-5 * (1 - sr_pl) * TIME
-200 SAVE moles * SOLN_VOL
- -end
-END
-
-# For the reaction aA + bB = cC + dD,
-# with delta_v = c*Vm(C) + d*Vm(D) - a*Vm(A) - b*Vm(B),
-# PHREEQC adds the pressure term to log_k: -= delta_v * (P - 1) / (2.3RT).
-# Vm(A) is volume of A, cm3/mol, P is pressure, atm, R is the gas constant, T is Kelvin.
-# Gas-pressures and fugacity coefficients are calculated with Peng-Robinson's EOS.
-# Binary interaction coefficients from Soreide and Whitson, 1992, FPE 77, 217 are
-# hard-coded in calc_PR():
-# kij CH4 CO2 H2S N2
-# H2O 0.49 0.19 0.19 0.49
-# =============================================================================================
-# The molar volumes of solids are entered with
-# -Vm vm cm3/mol
-# vm is the molar volume, cm3/mol (default), but dm3/mol and m3/mol are permitted.
-# Data for minerals' vm (= MW (g/mol) / rho (g/cm3)) are defined using rho from
-# Deer, Howie and Zussman, The rock-forming minerals, Longman.
-# --------------------
-# Temperature- and pressure-dependent volumina of aqueous species are calculated with a Redlich-
-# type equation (cf. Redlich and Meyer, Chem. Rev. 64, 221), from parameters entered with
-# -Vm a1 a2 a3 a4 W a0 i1 i2 i3 i4
-# The volume (cm3/mol) is
-# Vm(T, pb, I) = 41.84 * (a1 * 0.1 + a2 * 100 / (2600 + pb) + a3 / (T - 228) +
-# a4 * 1e4 / (2600 + pb) / (T - 228) - W * QBrn)
-# + z^2 / 2 * Av * f(I^0.5)
-# + (i1 + i2 / (T - 228) + i3 * (T - 228)) * I^i4
-# Volumina at I = 0 are obtained using supcrt92 formulas (Johnson et al., 1992, CG 18, 899).
-# 41.84 transforms cal/bar/mol into cm3/mol.
-# pb is pressure in bar.
-# W * QBrn is the energy of solvation, calculated from W and the pressure dependence of the Born equation,
-# W is fitted on measured solution densities.
-# z is charge of the solute species.
-# Av is the Debye-Hückel limiting slope (DH_AV in PHREEQC basic).
-# a0 is the ion-size parameter in the extended Debye-Hückel equation:
-# f(I^0.5) = I^0.5 / (1 + a0 * DH_B * I^0.5),
-# a0 = -gamma x for cations, = 0 for anions.
-# For details, consult ref. 1.
-#
-# ref. 1: Appelo, Parkhurst and Post, 2014. Geochim. Cosmochim. Acta 125, 49–67.
-# ref. 2: Procedures from ref. 1 using data compiled by Laliberté, 2009, J. Chem. Eng. Data 54, 1725.
-# ref. 3: Appelo, 2017, Cem. Concr. Res. 101, 102-113.
-#
-# =============================================================================================
-# It remains the responsibility of the user to check the calculated results, for example with
-# measured solubilities as a function of (P, T).
-
diff --git a/Tests/Data/PhreeqcDatabase/phreeqc.dat b/Tests/Data/PhreeqcDatabase/phreeqc.dat
new file mode 120000
index 00000000000..dfbc03fd350
--- /dev/null
+++ b/Tests/Data/PhreeqcDatabase/phreeqc.dat
@@ -0,0 +1 @@
+../../../ThirdParty/iphreeqc/src/database/phreeqc.dat
\ No newline at end of file
diff --git a/Tests/Data/PhreeqcDatabase/pitzer.dat b/Tests/Data/PhreeqcDatabase/pitzer.dat
deleted file mode 100644
index 3aa52c3a4e8..00000000000
--- a/Tests/Data/PhreeqcDatabase/pitzer.dat
+++ /dev/null
@@ -1,980 +0,0 @@
-# Pitzer.DAT for calculating pressure dependence of reactions
-# and temperature dependence to 200 °C. With
-# molal volumina of aqueous species and of minerals, and
-# critical temperatures and pressures of gases used in Peng-Robinson's EOS.
-# Details are given at the end of this file.
-SOLUTION_MASTER_SPECIES
-Alkalinity CO3-2 1 Ca0.5(CO3)0.5 50.05
-B B(OH)3 0 B 10.81
-Ba Ba+2 0 Ba 137.33
-Br Br- 0 Br 79.904
-C CO3-2 2 HCO3 12.0111
-C(4) CO3-2 2 HCO3 12.0111
-Ca Ca+2 0 Ca 40.08
-Cl Cl- 0 Cl 35.453
-E e- 0 0.0 0.0
-Fe Fe+2 0 Fe 55.847
-H H+ -1 H 1.008
-H(1) H+ -1 0.0
-K K+ 0 K 39.0983
-Li Li+ 0 Li 6.941
-Mg Mg+2 0 Mg 24.305
-Mn Mn+2 0 Mn 54.938
-Na Na+ 0 Na 22.9898
-O H2O 0 O 16.00
-O(-2) H2O 0 0.0
-S SO4-2 0 SO4 32.064
-S(6) SO4-2 0 SO4
-Si H4SiO4 0 SiO2 28.0843
-Sr Sr+2 0 Sr 87.62
-# redox-uncoupled gases
-Hdg Hdg 0 Hdg 2.016 # H2 gas
-Oxg Oxg 0 Oxg 32 # Oxygen gas
-Mtg Mtg 0.0 Mtg 16.032 # CH4 gas
-Sg H2Sg 1.0 H2Sg 34.08
-Ntg Ntg 0 Ntg 28.0134 # N2 gas
-
-SOLUTION_SPECIES
-H+ = H+
- -dw 9.31e-9 1000 0.46 1e-10 # The dw parameters are defined in ref. 4.
-# Dw(TK) = 9.31e-9 * exp(1000 / TK - 1000 / 298.15) * TK * 0.89 / (298.15 * viscos)
-# Dw(I) = Dw(TK) * exp(-0.46 * DH_A * |z_H+| * I^0.5 / (1 + DH_B * I^0.5 * 1e-10 / (1 + I^0.75)))
-e- = e-
-H2O = H2O
-Li+ = Li+
- -dw 1.03e-9 80
- -Vm -0.419 -0.069 13.16 -2.78 0.416 0 0.296 -12.4 -2.74e-3 1.26 # ref. 2 and Ellis, 1968, J. Chem. Soc. A, 1138
-Na+ = Na+
- -dw 1.33e-9 122 1.52 3.70
- -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.566 # ref. 1
-# for calculating densities (rho) when I > 3...
- # -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.45
-K+ = K+
- -dw 1.96e-9 395 2.5 21
- -Vm 3.322 -1.473 6.534 -2.712 9.06e-2 3.5 0 29.70 0 1 # ref. 1
-Mg+2 = Mg+2
- -dw 0.705e-9 111 2.4 13.7
- -Vm -1.410 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1 # ref. 1
-Ca+2 = Ca+2
- -dw 0.793e-9 97 3.4 24.6
- -Vm -0.3456 -7.252 6.149 -2.479 1.239 5 1.60 -57.1 -6.12e-3 1 # ref. 1
-Sr+2 = Sr+2
- -dw 0.794e-9 161
- -Vm -1.57e-2 -10.15 10.18 -2.36 0.860 5.26 0.859 -27.0 -4.1e-3 1.97 # ref. 1
-Ba+2 = Ba+2
- -dw 0.848e-9 46
- -Vm 2.063 -10.06 1.9534 -2.36 0.4218 5 1.58 -12.03 -8.35e-3 1 # ref. 1
-Mn+2 = Mn+2
- -dw 0.688e-9
- -Vm -1.10 -8.03 4.08 -2.45 1.4 6 8.07 0 -1.51e-2 0.118 # ref. 2
-Fe+2 = Fe+2
- -dw 0.719e-9
- -Vm -0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1 # ref. 1
-Cl- = Cl-
- -dw 2.03e-9 194 1.6 6.9
- -Vm 4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1 # ref. 1
-CO3-2 = CO3-2
- -dw 0.955e-9 0 1.12 2.84
- -Vm 4.91 0 0 -5.41 4.76 0 0.386 89.7 -1.57e-2 1 # ref. 1
-SO4-2 = SO4-2
- -dw 1.07e-9 34 4.46 25.9
- -Vm -7.77 43.17 141.1 -42.45 3.794 0 4.97 26.5 -5.77e-2 0.45 # ref. 1
-B(OH)3 = B(OH)3
- -dw 1.1e-9
- -Vm 7.0643 8.8547 3.5844 -3.1451 -.2000 # supcrt
-Br- = Br-
- -dw 2.01e-9 258
- -Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1 # ref. 2
-H4SiO4 = H4SiO4
- -dw 1.10e-9
- -Vm 10.5 1.7 20 -2.7 0.1291 # supcrt + 2*H2O in a1
-# redox-uncoupled gases
-Hdg = Hdg # H2
- -dw 5.13e-9
- -Vm 6.52 0.78 0.12 # supcrt
-Oxg = Oxg # O2
- -dw 2.35e-9
- -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt
-Mtg = Mtg # CH4
- -dw 1.85e-9
- -Vm 9.01 -1.11 0 -1.85 -1.50 # ref. 1 + Hnedkovsky et al., 1996, JCT 28, 125
-Ntg = Ntg # N2
- -dw 1.96e-9
- -Vm 7 # Pray et al., 1952, IEC 44. 1146
-H2Sg = H2Sg # H2S
- -dw 2.1e-9
- -Vm 7.81 2.96 -0.46 # supcrt
-# aqueous species
-H2O = OH- + H+
- -analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5
- -dw 5.27e-9 548 0.52 1e-10
- -Vm -9.66 28.5 80.0 -22.9 1.89 0 1.09 0 0 1 # ref. 1
-CO3-2 + H+ = HCO3-
- log_k 10.3393
- delta_h -3.561 kcal
- -analytic 107.8975 0.03252849 -5151.79 -38.92561 563713.9
- -dw 1.18e-9 0 1.43 1e-10
- -Vm 8.54 0 -11.7 0 1.6 0 0 116 0 1 # ref. 1
-CO3-2 + 2 H+ = CO2 + H2O
- log_k 16.6767
- delta_h -5.738 kcal
- -analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9
- -dw 1.92e-9
- -Vm 7.29 0.92 2.07 -1.23 -1.60 # ref. 1 + McBride et al. 2015, JCED 60, 171
-SO4-2 + H+ = HSO4-
- log_k 1.979
- delta_h 4.91 kcal
- -analytic -5.3585 0.0183412 557.2461
- -dw 1.33e-9
- -Vm 8.2 9.2590 2.1108 -3.1618 1.1748 0 -0.3 15 0 1 # ref. 1
-H2Sg = HSg- + H+
- log_k -6.994
- delta_h 5.30 kcal
- -analytical 11.17 -0.02386 -3279.0
- -dw 1.73e-9
- -Vm 5.0119 4.9799 3.4765 -2.9849 1.4410 # supcrt
-B(OH)3 + H2O = B(OH)4- + H+
- log_k -9.239
- delta_h 0 kcal
-3B(OH)3 = B3O3(OH)4- + 2H2O + H+
- log_k -7.528
- delta_h 0 kcal
-4B(OH)3 = B4O5(OH)4-2 + 3H2O + 2H+
- log_k -16.134
- delta_h 0 kcal
-Ca+2 + B(OH)3 + H2O = CaB(OH)4+ + H+
- log_k -7.589
- delta_h 0 kcal
-Mg+2 + B(OH)3 + H2O = MgB(OH)4+ + H+
- log_k -7.840
- delta_h 0 kcal
-# Ca+2 + CO3-2 = CaCO3
- # log_k 3.151
- # delta_h 3.547 kcal
- # -analytic -1228.806 -0.299440 35512.75 485.818
- # -dw 4.46e-10 # complexes: calc'd with the Pikal formula
- # -Vm -.2430 -8.3748 9.0417 -2.4328 -.0300 # supcrt
-Mg+2 + H2O = MgOH+ + H+
- log_k -11.809
- delta_h 15.419 kcal
-Mg+2 + CO3-2 = MgCO3
- log_k 2.928
- delta_h 2.535 kcal
- -analytic -32.225 0.0 1093.486 12.72433
- -dw 4.21e-10
- -Vm -.5837 -9.2067 9.3687 -2.3984 -.0300 # supcrt
-H4SiO4 = H3SiO4- + H+
- -log_k -9.83; -delta_h 6.12 kcal
- -analytic -302.3724 -0.050698 15669.69 108.18466 -1119669.0
- -Vm 7.94 1.0881 5.3224 -2.8240 1.4767 # supcrt + H2O in a1
-H4SiO4 = H2SiO4-2 + 2 H+
- -log_k -23.0; -delta_h 17.6 kcal
- -analytic -294.0184 -0.072650 11204.49 108.18466 -1119669.0
-
-PHASES
-Akermanite
- Ca2MgSi2O7 + 6 H+ = Mg+2 + 2 Ca+2 + 2 H4SiO4 - H2O # llnl.dat
- log_k 45.23
- -delta_H -289 kJ/mol
- Vm 92.6
-Anhydrite
- CaSO4 = Ca+2 + SO4-2
- log_k -4.362
- -analytical_expression 5.009 -2.21e-2 -796.4 # ref. 3
- -Vm 46.1 # 136.14 / 2.95
-Anthophyllite
- Mg7Si8O22(OH)2 + 14 H+ = 7 Mg+2 - 8 H2O + 8 H4SiO4 # llnl.dat
- log_k 66.80
- -delta_H -483 kJ/mol
- Vm 269
-Antigorite
- Mg48Si34O85(OH)62 + 96 H+ = 34 H4SiO4 + 48 Mg+2 + 11 H2O # llnl.dat
- log_k 477.19
- -delta_H -3364 kJ/mol
- Vm 1745
-Aragonite
- CaCO3 = CO3-2 + Ca+2
- log_k -8.336
- delta_h -2.589 kcal
- -analytic -171.8607 -.077993 2903.293 71.595
- -Vm 34.04
-Arcanite
- K2SO4 = SO4-2 + 2 K+
- log_k -1.776; -delta_h 5 kcal
- -analytical_expression 674.142 0.30423 -18037 -280.236 0 -1.44055e-4 # ref. 3
- # Note, the Linke and Seidell data may give subsaturation in other xpt's, SI = -0.06
- -Vm 65.5
-Artinite
- Mg2CO3(OH)2:3H2O + 3 H+ = HCO3- + 2 Mg+2 + 5 H2O # llnl.dat
- log_k 19.66
- -delta_H -130 kJ/mol
- Vm 97.4
-Barite
- BaSO4 = Ba+2 + SO4-2
- log_k -9.97; delta_h 6.35 kcal
- -analytical_expression -282.43 -8.972e-2 5822 113.08 # ref. 3
- -Vm 52.9
-Bischofite
- MgCl2:6H2O = Mg+2 + 2 Cl- + 6 H2O
- log_k 4.455
- -analytical_expression 7.526 -1.114e-2 115.7 # ref. 3
- Vm 127.1
-Bloedite
- Na2Mg(SO4)2:4H2O = Mg++ + 2 Na+ + 2 SO4-- + 4 H2O
- log_k -2.347
- -delta_H 0 # Not possible to calculate enthalpy of reaction Bloedite
- Vm 147
-Brucite
- Mg(OH)2 = Mg++ + 2 OH-
- log_k -10.88
- -delta_H 4.85 kcal/mol
- Vm 24.6
-Burkeite
- Na6CO3(SO4)2 = CO3-2 + 2 SO4-- + 6 Na+
- log_k -0.772
- Vm 152
-Calcite
- CaCO3 = CO3-2 + Ca+2
- log_k -8.406
- delta_h -2.297 kcal
- -analytic -237.04 -0.1077 0 102.25 6.79e5 # ref. 3 + data from Ellis, 1959, Plummer and Busenberg, 1982
- -Vm 36.9
-Carnallite
- KMgCl3:6H2O = K+ + Mg+2 + 3Cl- + 6H2O
- log_k 4.35; -delta_h 1.17
- -analytical_expression 24.06 -3.11e-2 -3.09e3 # ref. 3
- Vm 173.7
-Celestite
- SrSO4 = Sr+2 + SO4-2
- log_k -6.630
- -analytic -7.14 6.11E-03 75 0 0 -1.79E-05 # ref. 3
- -Vm 46.4
-Chalcedony
- SiO2 + 2 H2O = H4SiO4
- -log_k -3.55; -delta_h 4.720 kcal
- -Vm 23.1
-Chrysotile
- Mg3Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 3 Mg+2 # phreeqc.dat
- -log_k 32.2
- -delta_h -46.800 kcal
- -analytic 13.248 0.0 10217.1 -6.1894
- -Vm 110
-Diopside
- CaMgSi2O6 + 4 H+ = Ca+2 + Mg+2 - 2 H2O + 2 H4SiO4 # llnl.dat
- log_k 20.96
- -delta_H -134 kJ/mol
- Vm 67.2
-Dolomite
- CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2
- log_k -17.083
- delta_h -9.436 kcal
- -Vm 64.5
-Enstatite
- MgSiO3 + 2 H+ = - H2O + Mg+2 + H4SiO4 # llnl.dat
- log_k 11.33
- -delta_H -83 kJ/mol
- Vm 31.3
-Epsomite
- MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O
- log_k -1.881
- -analytical_expression 4.479 -6.99e-3 -1.265e3 # ref. 3
- Vm 147
-Forsterite
- Mg2SiO4 + 4 H+ = H4SiO4 + 2 Mg+2 # llnl.dat
- log_k 27.86
- -delta_H -206 kJ/mol
- Vm 43.7
-Gaylussite
- CaNa2(CO3)2:5H2O = Ca+2 + 2 CO3-2 + 2 Na+ + 5 H2O
- log_k -9.421
-Glaserite
- NaK3(SO4)2 = Na+ + 3K+ + 2SO4-2
- log_k -3.803; -delta_h 25
- -Vm 123
-Glauberite
- Na2Ca(SO4)2 = Ca+2 + 2 Na+ + 2 SO4-2
- log_k -5.31
- -analytical_expression 218.142 0 -9285 -77.735 # ref. 3
- Vm 100.4
-Goergeyite
- K2Ca5(SO4)6H2O = 2K+ + 5Ca+2 + 6SO4-2 + H2O
- log_k -29.5
- -analytical_expression 1056.787 0 -52300 -368.06 # ref. 3
- -Vm 295.9
-Gypsum
- CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O
- -log_k -4.58; -delta_h -0.109 kcal
- -analytical_expression 82.381 0 -3804.5 -29.9952 # ref. 3
- -Vm 73.9
-Halite
- NaCl = Cl- + Na+
- log_k 1.570
- -analytical_expression 159.605 8.4294e-2 -3975.6 -66.857 0 -4.9364e-5 # ref. 3
- -Vm 27.1
-Hexahydrite
- MgSO4:6H2O = Mg+2 + SO4-2 + 6 H2O
- log_k -1.635
- -analytical_expression -0.733 -2.80e-3 -8.57e-3 # ref. 3
- Vm 132
-Huntite
- CaMg3(CO3)4 + 4 H+ = Ca+2 + 3 Mg+2 + 4 HCO3- # llnl.dat
- log_k 10.30
- -analytical_expression -1.145e3 -3.249e-1 3.941e4 4.526e2
- Vm 130.8
-Kainite
- KMgClSO4:3H2O = Cl- + K+ + Mg+2 + SO4-2 + 3 H2O
- log_k -0.193
-Kalicinite
- KHCO3 = K+ + H+ + CO3-2
- log_k -9.94 # Harvie et al., 1984
-Kieserite
- MgSO4:H2O = Mg+2 + SO4-2 + H2O
- log_k -0.123
- -analytical_expression 47.24 -0.12077 -5.356e3 0 0 7.272e-5 # ref. 3
- Vm 53.8
-Labile_S
- Na4Ca(SO4)3:2H2O = 4Na+ + Ca+2 + 3SO4-2 + 2H2O
- log_k -5.672
-Leonhardite
- MgSO4:4H2O = Mg+2 + SO4-2 + 4H2O
- log_k -0.887
-Leonite
- K2Mg(SO4)2:4H2O = Mg+2 + 2 K+ + 2 SO4-2 + 4 H2O
- log_k -3.979
-Magnesite
- MgCO3 = CO3-2 + Mg+2
- log_k -7.834
- delta_h -6.169
- Vm 28.3
-MgCl2_2H2O
- MgCl2:2H2O = Mg+2 + 2 Cl- + 2 H2O
- -analytical_expression -10.273 0 7.403e3 # ref. 3
-MgCl2_4H2O
- MgCl2:4H2O = Mg+2 + 2 Cl- + 4 H2O
- -analytical_expression 12.98 -2.013e-2 # ref. 3
-Mirabilite
- Na2SO4:10H2O = SO4-2 + 2 Na+ + 10 H2O
- -analytical_expression -301.9326 -0.16232 0 141.078 # ref. 3
- Vm 216
-Misenite
- K8H6(SO4)7 = 6 H+ + 7 SO4-2 + 8 K+
- log_k -10.806
-Nahcolite
- NaHCO3 = CO3-2 + H+ + Na+
- log_k -10.742
- Vm 38.0
-Natron
- Na2CO3:10H2O = CO3-2 + 2 Na+ + 10 H2O
- log_k -0.825
-Nesquehonite
- MgCO3:3H2O = CO3-2 + Mg+2 + 3 H2O
- log_k -5.167
-Pentahydrite
- MgSO4:5H2O = Mg+2 + SO4-2 + 5 H2O
- log_k -1.285
-Pirssonite
- Na2Ca(CO3)2:2H2O = 2Na+ + Ca+2 + 2CO3-2 + 2 H2O
- log_k -9.234
-Polyhalite
- K2MgCa2(SO4)4:2H2O = 2K+ + Mg+2 + 2 Ca+2 + 4SO4-2 + 2 H2O
- log_k -13.744
- Vm 218
-Portlandite
- Ca(OH)2 = Ca+2 + 2 OH-
- log_k -5.190
-Quartz
- SiO2 + 2 H2O = H4SiO4
- -log_k -3.98; -delta_h 5.990 kcal
- -Vm 22.67
-Schoenite
- K2Mg(SO4)2:6H2O = 2K+ + Mg+2 + 2 SO4-2 + 6H2O
- log_k -4.328
-Sepiolite(d)
- Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4 # phreeqc.dat
- -log_k 18.66
- -Vm 162
-Sepiolite
- Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4 # phreeqc.dat
- -log_k 15.760
- -delta_h -10.700 kcal
- -Vm 154
-SiO2(a)
- SiO2 + 2 H2O = H4SiO4
- -log_k -2.71; -delta_h 3.340 kcal
- -analytic 20.42 3.107e-3 -1492 -7.68 # ref. 3
- -Vm 25.7
-Sylvite
- KCl = K+ + Cl-
- log_k 0.90; -delta_h 8
- -analytical_expression -50.571 9.8815e-2 1.3135e4 0 -1.3754e6 -7.393e-5 # ref. 3
- Vm 37.5
-Syngenite
- K2Ca(SO4)2:H2O = 2K+ + Ca+2 + 2SO4-2 + H2O
- log_k -6.43; -delta_h -32.65 # ref. 3
- -Vm 127.3
-Talc
- Mg3Si4O10(OH)2 + 4 H2O + 6 H+ = 3 Mg+2 + 4 H4SiO4 # phreeqc.dat
- -log_k 21.399
- -delta_h -46.352 kcal
- -Vm 140
-Thenardite
- Na2SO4 = 2 Na+ + SO4-2
- -analytical_expression 57.185 8.6024e-2 0 -30.8341 0 -7.6905e-5 # ref. 3
- -Vm 52.9
-Trona
- Na3H(CO3)2:2H2O = 3 Na+ + H+ + 2CO3-2 + 2H2O
- log_k -11.384
- Vm 106
-Borax
- Na2(B4O5(OH)4):8H2O + 2 H+ = 4 B(OH)3 + 2 Na+ + 5 H2O
- log_k 12.464
- Vm 223
-Boric_acid,s
- B(OH)3 = B(OH)3
- log_k -0.030
-KB5O8:4H2O
- KB5O8:4H2O + 3H2O + H+ = 5B(OH)3 + K+
- log_k 4.671
-K2B4O7:4H2O
- K2B4O7:4H2O + H2O + 2H+ = 4B(OH)3 + 2K+
- log_k 13.906
-NaBO2:4H2O
- NaBO2:4H2O + H+ = B(OH)3 + Na+ + 3H2O
- log_k 9.568
-NaB5O8:5H2O
- NaB5O8:5H2O + 2H2O + H+ = 5B(OH)3 + Na+
- log_k 5.895
-Teepleite
- Na2B(OH)4Cl + H+ = B(OH)3 + 2Na+ + Cl- + H2O
- log_k 10.840
-CO2(g)
- CO2 = CO2
- log_k -1.468
- delta_h -4.776 kcal
- -analytic 10.5624 -2.3547e-2 -3972.8 0 5.8746e5 1.9194e-5
- -T_c 304.2 # critical T, K
- -P_c 72.80 # critical P, atm
- -Omega 0.225 # acentric factor
-H2O(g)
- H2O = H2O
- log_k 1.506; delta_h -44.03 kJ
- -T_c 647.3 # critical T, K
- -P_c 217.60 # critical P, atm
- -Omega 0.344 # acentric factor
- -analytic -16.5066 -2.0013E-3 2710.7 3.7646 0 2.24E-6
-# redox-uncoupled gases
-Oxg(g)
- Oxg = Oxg
- -analytic -7.5001 7.8981e-003 0.0 0.0 2.0027e+005
- T_c 154.6 ; -P_c 49.80 ; -Omega 0.021
-Hdg(g)
- Hdg = Hdg
- -analytic -9.3114e+000 4.6473e-003 -4.9335e+001 1.4341e+000 1.2815e+005
- -T_c 33.2 ; -P_c 12.80 ; -Omega -0.225
-Ntg(g)
- Ntg = Ntg
- -analytic -58.453 1.81800E-03 3199 17.909 -27460
- T_c 126.2 ; -P_c 33.50 ; -Omega 0.039
-Mtg(g)
- Mtg = Mtg
- -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C
- T_c 190.6 ; -P_c 45.40 ; -Omega 0.008
-H2Sg(g)
- H2Sg = H+ + HSg-
- -analytic -9.7354e+001 -3.1576e-002 1.8285e+003 3.7440e+001 2.8560e+001
- T_c 373.2 ; -P_c 88.20 ; -Omega 0.1
-PITZER
--B0
- B(OH)4- K+ 0.035
- B(OH)4- Na+ -0.0427
- B3O3(OH)4- K+ -0.13
- B3O3(OH)4- Na+ -0.056
- B4O5(OH)4-2 K+ -0.022
- B4O5(OH)4-2 Na+ -0.11
- Ba+2 Br- 0.31455 0 0 -0.33825E-3
- Ba+2 Cl- 0.5268 0 0 0 0 4.75e4 # ref. 3
- Ba+2 OH- 0.17175
- Br- H+ 0.1960 0 0 -2.049E-4
- Br- K+ 0.0569 0 0 7.39E-4
- Br- Li+ 0.1748 0 0 -1.819E-4
- Br- Mg+2 0.4327 0 0 -5.625E-5
- Br- Na+ 0.0973 0 0 7.692E-4
- Br- Sr+2 0.331125 0 0 -0.32775E-3
- Ca+2 Br- 0.3816 0 0 -5.2275E-4
- Ca+2 Cl- 0.3159 0 0 -3.27e-4 1.4e-7 # ref. 3
- Ca+2 HCO3- 0.4
- Ca+2 HSO4- 0.2145
- Ca+2 OH- -0.1747
- Ca+2 SO4-2 0 # ref. 3
- CaB(OH)4+ Cl- 0.12
- Cl- Fe+2 0.335925
- Cl- H+ 0.1775 0 0 -3.081E-4
- Cl- K+ 0.04808 -758.48 -4.7062 0.010072 -3.7599e-6 # ref. 3
- Cl- Li+ 0.1494 0 0 -1.685E-4
- Cl- Mg+2 0.351 0 0 -9.32e-4 5.94e-7 # ref. 3
- Cl- MgB(OH)4+ 0.16
- Cl- MgOH+ -0.1
- Cl- Mn+2 0.327225
- Cl- Na+ 7.534e-2 9598.4 35.48 -5.8731e-2 1.798e-5 -5e5 # ref. 3
- Cl- Sr+2 0.2858 0 0 0.717E-3
- CO3-2 K+ 0.1488 0 0 1.788E-3
- CO3-2 Na+ 0.0399 0 0 1.79E-3
- Fe+2 HSO4- 0.4273
- Fe+2 SO4-2 0.2568
- H+ HSO4- 0.2065
- H+ SO4-2 0.0298
- HCO3- K+ 0.0296 0 0 0.996E-3
- HCO3- Mg+2 0.329
- HCO3- Na+ -0.018 # ref. 3 + new -analytic for calcite
- HCO3- Sr+2 0.12
- HSO4- K+ -0.0003
- HSO4- Mg+2 0.4746
- HSO4- Na+ 0.0454
- K+ OH- 0.1298
- K+ SO4-2 3.17e-2 0 0 9.28e-4 # ref. 3
- Li+ OH- 0.015
- Li+ SO4-2 0.136275 0 0 0.5055E-3
- Mg+2 SO4-2 0.2135 -951 0 -2.34e-2 2.28e-5 # ref. 3
- Mn+2 SO4-2 0.2065
- Na+ OH- 0.0864 0 0 7.00E-4
- Na+ SO4-2 2.73e-2 0 -5.8 9.89e-3 0 -1.563e5 # ref. 3
- SO4-2 Sr+2 0.200 0 0 -2.9E-3
--B1
- B(OH)4- K+ 0.14
- B(OH)4- Na+ 0.089
- B3O3(OH)4- Na+ -0.910
- B4O5(OH)4-2 Na+ -0.40
- Ba+2 Br- 1.56975 0 0 6.78E-3
- Ba+2 Cl- 0.687 0 0 1.417e-2 # ref. 3
- Ba+2 OH- 1.2
- Br- H+ 0.3564 0 0 4.467E-4
- Br- K+ 0.2212 0 0 17.40E-4
- Br- Li+ 0.2547 0 0 6.636E-4
- Br- Mg+2 1.753 0 0 3.8625E-3
- Br- Na+ 0.2791 0 0 10.79E-4
- Br- Sr+2 1.7115 0 0 6.5325E-3
- Ca+2 Br- 1.613 0 0 6.0375E-3
- Ca+2 Cl- 1.614 0 0 7.63e-3 -8.19e-7 # ref. 3
- Ca+2 HCO3- 2.977 # ref. 3 + new -analytic for calcite
- Ca+2 HSO4- 2.53
- Ca+2 OH- -0.2303
- Ca+2 SO4-2 3.546 0 0 5.77e-3 # ref. 3
- Cl- Fe+2 1.53225
- Cl- H+ 0.2945 0 0 1.419E-4
- Cl- K+ 0.2168 0 -6.895 2.262e-2 -9.293e-6 -1e5 # ref. 3
- Cl- Li+ 0.3074 0 0 5.366E-4
- Cl- Mg+2 1.65 0 0 -1.09e-2 2.60e-5 # ref. 3
- Cl- MgOH+ 1.658
- Cl- Mn+2 1.55025
- Cl- Na+ 0.2769 1.377e4 46.8 -6.9512e-2 2e-5 -7.4823e5 # ref. 3
- Cl- Sr+2 1.667 0 0 2.8425E-3
- CO3-2 K+ 1.43 0 0 2.051E-3
- CO3-2 Na+ 1.389 0 0 2.05E-3
- Fe+2 HSO4- 3.48
- Fe+2 SO4-2 3.063
- H+ HSO4- 0.5556
- HCO3- K+ 0.25 0 0 1.104E-3 # ref. 3
- HCO3- Mg+2 0.6072
- HCO3- Na+ 0 # ref. 3 + new -analytic for calcite
- HSO4- K+ 0.1735
- HSO4- Mg+2 1.729
- HSO4- Na+ 0.398
- K+ OH- 0.32
- K+ SO4-2 0.756 -1.514e4 -80.3 0.1091 # ref. 3
- Li+ OH- 0.14
- Li+ SO4-2 1.2705 0 0 1.41E-3
- Mg+2 SO4-2 3.367 -5.78e3 0 -1.48e-1 1.576e-4 # ref. 3
- Mn+2 SO4-2 2.9511
- Na+ OH- 0.253 0 0 1.34E-4
- Na+ SO4-2 0.956 2.663e3 0 1.158e-2 0 -3.194e5 # ref. 3
- SO4-2 Sr+2 3.1973 0 0 27e-3
--B2
- Ca+2 Cl- -1.13 0 0 -0.0476 # ref. 3
- Ca+2 OH- -5.72
- Ca+2 SO4-2 -59.3 0 0 -0.443 -3.96e-6 # ref. 3
- Fe+2 SO4-2 -42.0
- HCO3- Na+ 8.22 0 0 -0.049 # ref. 3 + new -analytic for calcite
- Mg+2 SO4-2 -32.45 0 -3.236e3 21.812 -1.8859e-2 # ref. 3
- Mn+2 SO4-2 -40.0
- SO4-2 Sr+2 -54.24 0 0 -0.42
--C0
- B(OH)4- Na+ 0.0114
- Ba+2 Br- -0.0159576
- Ba+2 Cl- -0.143 -114.5 # ref. 3
- Br- Ca+2 -0.00257
- Br- H+ 0.00827 0 0 -5.685E-5
- Br- K+ -0.00180 0 0 -7.004E-5
- Br- Li+ 0.0053 0 0 -2.813E-5
- Br- Mg+2 0.00312
- Br- Na+ 0.00116 0 0 -9.30E-5
- Br- Sr+2 0.00122506
- Ca+2 Cl- 1.4e-4 -57 -0.098 -7.83e-4 7.18e-7 # ref. 3
- Ca+2 SO4-2 0.114 # ref. 3
- Cl- Fe+2 -0.00860725
- Cl- H+ 0.0008 0 0 6.213E-5
- Cl- K+ -7.88e-4 91.27 0.58643 -1.298e-3 4.9567e-7 # ref. 3
- Cl- Li+ 0.00359 0 0 -4.520E-5
- Cl- Mg+2 0.00651 0 0 -2.50e-4 2.418e-7 # ref. 3
- Cl- Mn+2 -0.0204972
- Cl- Na+ 1.48e-3 -120.5 -0.2081 0 1.166e-7 11121 # ref. 3
- Cl- Sr+2 -0.00130
- CO3-2 K+ -0.0015
- CO3-2 Na+ 0.0044
- Fe+2 SO4-2 0.0209
- H+ SO4-2 0.0438
- HCO3- K+ -0.008
- K+ OH- 0.0041
- K+ SO4-2 8.18e-3 -625 -3.30 4.06e-3 # ref. 3
- Li+ SO4-2 -0.00399338 0 0 -2.33345e-4
- Mg+2 SO4-2 2.875e-2 0 -2.084 1.1428e-2 -8.228e-6 # ref. 3
- Mn+2 SO4-2 0.01636
- Na+ OH- 0.0044 0 0 -18.94E-5
- Na+ SO4-2 3.418e-3 -384 0 -8.451e-4 0 5.177e4 # ref. 3
--THETA
- B(OH)4- Cl- -0.065
- B(OH)4- SO4-2 -0.012
- B3O3(OH)4- Cl- 0.12
- B3O3(OH)4- HCO3- -0.10
- B3O3(OH)4- SO4-2 0.10
- B4O5(OH)4-2 Cl- 0.074
- B4O5(OH)4-2 HCO3- -0.087
- B4O5(OH)4-2 SO4-2 0.12
- Ba+2 Na+ 0.07 # ref. 3
- Br- OH- -0.065
- Ca+2 H+ 0.092
- Ca+2 K+ -5.35e-3 0 0 3.08e-4 # ref. 3
- Ca+2 Mg+2 0.007
- Ca+2 Na+ 9.22e-2 0 0 -4.29e-4 1.21e-6 # ref. 3
- Cl- CO3-2 -0.02
- Cl- HCO3- 0.03
- Cl- HSO4- -0.006
- Cl- OH- -0.05
- Cl- SO4-2 0.03 # ref. 3
- CO3-2 OH- 0.1
- CO3-2 SO4-2 0.02
- H+ K+ 0.005
- H+ Mg+2 0.1
- H+ Na+ 0.036
- HCO3- CO3-2 -0.04
- HCO3- SO4-2 0.01
- K+ Na+ -0.012
- Mg+2 Na+ 0.07
- Na+ Sr+2 0.051
- OH- SO4-2 -0.013
--LAMDA
- B(OH)3 Cl- 0.091
- B(OH)3 K+ -0.14
- B(OH)3 Na+ -0.097
- B(OH)3 SO4-2 0.018
- B3O3(OH)4- B(OH)3 -0.20
- Ca+2 CO2 0.183
- Ca+2 H4SiO4 0.238 # ref. 3
- Cl- CO2 -0.005
- CO2 CO2 -1.34e-2 348 0.803 # new VM("CO2"), CO2 solubilities at high P, 0 - 150°C
- CO2 HSO4- -0.003
- CO2 K+ 0.051
- CO2 Mg+2 0.183
- CO2 Na+ 0.085
- CO2 SO4-2 0.075 # Rumpf and Maurer, 1993.
- H4SiO4 K+ 0.0298 # ref. 3
- H4SiO4 Li+ 0.143 # ref. 3
- H4SiO4 Mg+2 0.238 -1788 -9.023 0.0103 # ref. 3
- H4SiO4 Na+ 0.0566 75.3 0.115 # ref. 3
- H4SiO4 SO4-2 -0.085 0 0.28 -8.25e-4 # ref. 3
--ZETA
- B(OH)3 Cl- H+ -0.0102
- B(OH)3 Na+ SO4-2 0.046
- Cl- H4SiO4 K+ -0.0153 # ref. 3
- Cl- H4SiO4 Li+ -0.0196 # ref. 3
- CO2 Na+ SO4-2 -0.015
--PSI
- B(OH)4- Cl- Na+ -0.0073
- B3O3(OH)4- Cl- Na+ -0.024
- B4O5(OH)4-2 Cl- Na+ 0.026
- Br- K+ Na+ -0.0022
- Br- K+ OH- -0.014
- Br- Na+ H+ -0.012
- Br- Na+ OH- -0.018
- Ca+2 Cl- H+ -0.015
- Ca+2 Cl- K+ -0.025
- Ca+2 Cl- Mg+2 -0.012
- Ca+2 Cl- Na+ -1.48e-2 0 0 -5.2e-6 # ref. 3
- Ca+2 Cl- OH- -0.025
- Ca+2 Cl- SO4-2 -0.122 0 0 -1.21e-3 # ref. 3
- Ca+2 K+ SO4-2 -0.0365 # ref. 3
- Ca+2 Mg+2 SO4-2 0.024
- Ca+2 Na+ SO4-2 -0.055 17.2 # ref. 3
- Cl- Br- K+ 0
- Cl- CO3-2 K+ 0.004
- Cl- CO3-2 Na+ 0.0085
- Cl- H+ K+ -0.011
- Cl- H+ Mg+2 -0.011
- Cl- H+ Na+ -0.004
- Cl- HCO3- Mg+2 -0.096
- Cl- HCO3- Na+ 0 # ref. 3 + new -analytic for calcite
- Cl- HSO4- H+ 0.013
- Cl- HSO4- Na+ -0.006
- Cl- K+ Mg+2 -0.022 -14.27 # ref. 3
- Cl- K+ Na+ -0.0015 0 0 1.8e-5 # ref. 3
- Cl- K+ OH- -0.006
- Cl- K+ SO4-2 -1e-3 # ref. 3
- Cl- Mg+2 MgOH+ 0.028
- Cl- Mg+2 Na+ -0.012 -9.51 # ref. 3
- Cl- Mg+2 SO4-2 -0.008 32.63 # ref. 3
- Cl- Na+ OH- -0.006
- Cl- Na+ SO4-2 0 # ref. 3
- Cl- Na+ Sr+2 -0.0021
- CO3-2 HCO3- K+ 0.012
- CO3-2 HCO3- Na+ 0.002
- CO3-2 K+ Na+ 0.003
- CO3-2 K+ OH- -0.01
- CO3-2 K+ SO4-2 -0.009
- CO3-2 Na+ OH- -0.017
- CO3-2 Na+ SO4-2 -0.005
- H+ HSO4- K+ -0.0265
- H+ HSO4- Mg+2 -0.0178
- H+ HSO4- Na+ -0.0129
- H+ K+ Br- -0.021
- H+ K+ SO4-2 0.197
- HCO3- K+ Na+ -0.003
- HCO3- Mg+2 SO4-2 -0.161
- HCO3- Na+ SO4-2 -0.005
- HSO4- K+ SO4-2 -0.0677
- HSO4- Mg+2 SO4-2 -0.0425
- HSO4- Na+ SO4-2 -0.0094
- K+ Mg+2 SO4-2 -0.048
- K+ Na+ SO4-2 -0.010
- K+ OH- SO4-2 -0.050
- Mg+2 Na+ SO4-2 -0.015
- Na+ OH- SO4-2 -0.009
-EXCHANGE_MASTER_SPECIES
- X X-
-EXCHANGE_SPECIES
- X- = X-
- log_k 0.0
-
- Na+ + X- = NaX
- log_k 0.0
-
- K+ + X- = KX
- log_k 0.7
- delta_h -4.3 # Jardine & Sparks, 1984
-
- Li+ + X- = LiX
- log_k -0.08
- delta_h 1.4 # Merriam & Thomas, 1956
-
- Ca+2 + 2X- = CaX2
- log_k 0.8
- delta_h 7.2 # Van Bladel & Gheyl, 1980
-
- Mg+2 + 2X- = MgX2
- log_k 0.6
- delta_h 7.4 # Laudelout et al., 1968
-
- Sr+2 + 2X- = SrX2
- log_k 0.91
- delta_h 5.5 # Laudelout et al., 1968
-
- Ba+2 + 2X- = BaX2
- log_k 0.91
- delta_h 4.5 # Laudelout et al., 1968
-
- Mn+2 + 2X- = MnX2
- log_k 0.52
-
- Fe+2 + 2X- = FeX2
- log_k 0.44
-
-SURFACE_MASTER_SPECIES
- Hfo_s Hfo_sOH
- Hfo_w Hfo_wOH
-SURFACE_SPECIES
-# All surface data from
-# Dzombak and Morel, 1990
-#
-#
-# Acid-base data from table 5.7
-#
-# strong binding site--Hfo_s,
-
- Hfo_sOH = Hfo_sOH
- log_k 0.0
-
- Hfo_sOH + H+ = Hfo_sOH2+
- log_k 7.29 # = pKa1,int
-
- Hfo_sOH = Hfo_sO- + H+
- log_k -8.93 # = -pKa2,int
-
-# weak binding site--Hfo_w
-
- Hfo_wOH = Hfo_wOH
- log_k 0.0
-
- Hfo_wOH + H+ = Hfo_wOH2+
- log_k 7.29 # = pKa1,int
-
- Hfo_wOH = Hfo_wO- + H+
- log_k -8.93 # = -pKa2,int
-
-###############################################
-# CATIONS #
-###############################################
-#
-# Cations from table 10.1 or 10.5
-#
-# Calcium
- Hfo_sOH + Ca+2 = Hfo_sOHCa+2
- log_k 4.97
-
- Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+
- log_k -5.85
-# Strontium
- Hfo_sOH + Sr+2 = Hfo_sOHSr+2
- log_k 5.01
-
- Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+
- log_k -6.58
-
- Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+
- log_k -17.60
-# Barium
- Hfo_sOH + Ba+2 = Hfo_sOHBa+2
- log_k 5.46
-
- Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+
- log_k -7.2 # table 10.5
-#
-# Derived constants table 10.5
-#
-# Magnesium
- Hfo_wOH + Mg+2 = Hfo_wOMg+ + H+
- log_k -4.6
-# Manganese
- Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+
- log_k -0.4 # table 10.5
-
- Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+
- log_k -3.5 # table 10.5
-# Iron
-# Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+
-# log_k 0.7 # LFER using table 10.5
-
-# Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+
-# log_k -2.5 # LFER using table 10.5
-
-# Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, subm.
- Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+
- log_k -0.95
-# Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M
- Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+
- log_k -2.98
-
- Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2H+
- log_k -11.55
-
-###############################################
-# ANIONS #
-###############################################
-#
-# Anions from table 10.6
-#
-#
-# Anions from table 10.7
-#
-# Borate
- Hfo_wOH + B(OH)3 = Hfo_wH2BO3 + H2O
- log_k 0.62
-#
-# Anions from table 10.8
-#
-# Sulfate
- Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O
- log_k 7.78
-
- Hfo_wOH + SO4-2 = Hfo_wOHSO4-2
- log_k 0.79
-#
-# Carbonate: Van Geen et al., 1994 reoptimized for HFO
-# 0.15 g HFO/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L
-#
- Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O
- log_k 12.56
-
- Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O
- log_k 20.62
-
-
-END
-MEAN GAM
-CaCl2
-CaSO4
-CaCO3
-Ca(OH)2
-MgCl2
-MgSO4
-MgCO3
-Mg(OH)2
-NaCl
-Na2SO4
-NaHCO3
-Na2CO3
-NaOH
-KCl
-K2SO4
-KHCO3
-K2CO3
-KOH
-HCl
-H2SO4
-HBr
-
-END
-
-# For the reaction aA + bB = cC + dD,
-# with delta_v = c*Vm(C) + d*Vm(D) - a*Vm(A) - b*Vm(B),
-# PHREEQC adds the pressure term to log_k: -= delta_v * (P - 1) / (2.3RT).
-# Vm(A) is volume of A, cm3/mol, P is pressure, atm, R is the gas constant, T is Kelvin.
-# Gas-pressures and fugacity coefficients are calculated with Peng-Robinson's EOS.
-# Binary interaction coefficients from Soreide and Whitson, 1992, FPE 77, 217 are
-# hard-coded in calc_PR():
-# kij CH4 CO2 H2S N2
-# H2O 0.49 0.19 0.19 0.49
-# =============================================================================================
-# The molar volumes of solids are entered with
-# -Vm vm cm3/mol
-# vm is the molar volume, cm3/mol (default), but dm3/mol and m3/mol are permitted.
-# Data for minerals' vm (= MW (g/mol) / rho (g/cm3)) are defined using rho from
-# Deer, Howie and Zussman, The rock-forming minerals, Longman.
-# --------------------
-# Temperature- and pressure-dependent volumina of aqueous species are calculated with a Redlich-
-# type equation (cf. Redlich and Meyer, Chem. Rev. 64, 221), from parameters entered with
-# -Vm a1 a2 a3 a4 W a0 i1 i2 i3 i4
-# The volume (cm3/mol) is
-# Vm(T, pb, I) = 41.84 * (a1 * 0.1 + a2 * 100 / (2600 + pb) + a3 / (T - 228) +
-# a4 * 1e4 / (2600 + pb) / (T - 228) - W * QBrn)
-# + z^2 / 2 * Av * f(I^0.5)
-# + (i1 + i2 / (T - 228) + i3 * (T - 228)) * I^i4
-# Volumina at I = 0 are obtained using supcrt92 formulas (Johnson et al., 1992, CG 18, 899).
-# 41.84 transforms cal/bar/mol into cm3/mol.
-# pb is pressure in bar.
-# W * QBrn is the energy of solvation, QBrn is the pressure dependence of the Born equation,
-# W is fitted on measured solution densities.
-# z is charge of the solute species.
-# Av is the Debye-Hückel limiting slope (DH_AV in PHREEQC basic).
-# a0 is the ion-size parameter in the extended Debye-Hückel equation:
-# f(I^0.5) = I^0.5 / (1 + a0 * DH_B * I^0.5),
-# a0 = -gamma x for cations, = 0 for anions.
-# For details, consult ref. 1.
-#
-# ref. 1: Appelo, Parkhurst and Post, 2014. Geochim. Cosmochim. Acta 125, 49–67.
-# ref. 2: Procedures from ref. 1 using data compiled by Laliberté, 2009, J. Chem. Eng. Data 54, 1725.
-# ref. 3: Appelo, 2015, Appl. Geochem. 55, 62–71.
-# http://www.hydrochemistry.eu/pub/pitzer_db/appendix.zip contains example files
-# for the high P,T Pitzer model and improvements for Calcite.
-# ref. 4: Appelo, 2017, Cem. Concr. Res. 101, 102-113.
-#
-# =============================================================================================
-# It remains the responsibility of the user to check the calculated results, for example with
-# measured solubilities as a function of (P, T).
diff --git a/Tests/Data/PhreeqcDatabase/pitzer.dat b/Tests/Data/PhreeqcDatabase/pitzer.dat
new file mode 120000
index 00000000000..eae88e01ee8
--- /dev/null
+++ b/Tests/Data/PhreeqcDatabase/pitzer.dat
@@ -0,0 +1 @@
+../../../ThirdParty/iphreeqc/src/database/pitzer.dat
\ No newline at end of file
diff --git a/Tests/Data/PhreeqcDatabase/sit.dat b/Tests/Data/PhreeqcDatabase/sit.dat
deleted file mode 100644
index 9e2e2591b74..00000000000
--- a/Tests/Data/PhreeqcDatabase/sit.dat
+++ /dev/null
@@ -1,15343 +0,0 @@
-# PHREEQC database
-# Thermodynamic database ANDRA/RWM - THERMOCHIMIE-TDB (www.thermochimie-tdb.com)
-# Version 9b0
-# Nom : ThermoChimie project
-# BDD Date: 10/8/2015
-# Comment: no comment
-
-# NAMED_EXPRESSIONS
-
-#
-# formation of O2 from H2O
-# 2H2O = O2 + 4H+ + 4e-
-#
-# Log_K_O2
-# log_k -85.980
-# delta_H 559.526 kJ/mol
-#
-# -analytic 1.20446E+1 0E+0 -2.9226E+4 0E+0 0E+0
-
-SOLUTION_MASTER_SPECIES
-
-#element species alk gfw_formula element_gfw
-E e- 0 0 0
-Acetate Acetate- 0 Acetate 59.01
-Adipate Adipate-2 0 Adipate 144.07
-Ag Ag+ 0 Ag 107.8682
-Al Al+3 0 Al 26.9815
-Alkalinity CO3-2 1 Ca0.5(CO3)0.5 50.05
-Am Am+3 0 Am 243
-Am(+2) Am+2 0 Am 243
-Am(+3) Am+3 0 Am 243
-Am(+4) Am+4 0 Am 243
-Am(+5) AmO2+ 0 Am 243
-Am(+6) AmO2+2 0 Am 243
-As AsO4-3 0 As 74.9216
-As(+3) H3(AsO3) 0 As 74.9216
-As(+5) AsO4-3 2 As 74.9216
-B B(OH)4- 1 B 10.811
-Ba Ba+2 0 Ba 137.327
-Br Br- 0 Br 79.904
-C CO3-2 2 CO3 12.011
-C(+4) CO3-2 2 CO3 12.011
-C(-4) CH4 0 CH4 12.011
-Ca Ca+2 0 Ca 40.078
-Cd Cd+2 0 Cd 112.411
-Cit Cit-3 0 Cit 189.1013
-Cl Cl- 0 Cl 35.4527
-Cm Cm+3 0 Cm 247
-Cn Cn- 0 Cn 26.018
-Co Co+2 0 Co 58.9332
-Cr CrO4-2 0 CrO4 51.9961
-Cr(+2) Cr+2 0 Cr 51.9961
-Cr(+3) Cr+3 -1 Cr 51.9961
-Cr(+6) CrO4-2 1 CrO4 51.9961
-Cs Cs+ 0 Cs 132.9054
-Cu Cu+2 0 Cu 63.546
-Cu(+1) Cu+ 0 Cu 63.546
-Cu(+2) Cu+2 0 Cu 63.546
-Edta Edta-4 0 Edta 288.2134
-Eu Eu+3 0 Eu 151.965
-Eu(+2) Eu+2 0 Eu 151.965
-Eu(+3) Eu+3 0 Eu 151.965
-F F- 0 F 18.9984
-Fe Fe+2 0 Fe 55.847
-Fe(+2) Fe+2 0 Fe 55.847
-Fe(+3) Fe+3 0 Fe 55.847
-Glu HGlu- 0 Glu 195.1459
-H H+ -1 H 1.0079
-H(+1) H+ -1 H 1.0079
-H(0) H2 0 H 1.0079
-Hf Hf+4 -4 Hf 178.49
-Hg Hg+2 0 Hg 200.59
-Hg(+2) Hg+2 0 Hg 200.59
-Hg(+1) Hg2+2 0 Hg2 401.18
-Ho Ho+3 0 Ho 164.9303
-I I- 0 I 126.9045
-I(+5) IO3- 0 I 126.9045
-I(-1) I- 0 I 126.9045
-Isa HIsa- 0 HIsa 180.1548
-K K+ 0 K 39.0983
-Li Li+ 0 Li 6.941
-Malonate Malonate-2 0 Malonate 63.99
-Mg Mg+2 0 Mg 24.305
-Mn Mn+2 0 Mn 54.938
-Mo MoO4-2 0 Mo 95.94
-N NO3- 0 N 14.0067
-N(+5) NO3- 0 N 14.0067
-N(-3) NH3 1 N 14.0067
-Na Na+ 0 Na 22.9898
-Nb Nb(OH)6- 0 Nb 92.9064
-Ni Ni+2 0 Ni 58.69
-Np NpO2+2 0 Np 237.048
-Np(+3) Np+3 0 Np 237.048
-Np(+4) Np+4 0 Np 237.048
-Np(+5) NpO2+ 0 Np 237.048
-Np(+6) NpO2+2 0 Np 237.048
-Nta Nta-3 0 Nta 188.1165
-O H2O 0 O 15.999
-O(0) O2 0 O 15.9994
-O(-2) H2O 0 O 15.9994
-Ox Ox-2 0 Ox 88.0196
-P H2(PO4)- 1 P 30.9738
-Pa Pa+4 0 Pa 231.0359
-Pa(+4) Pa+4 0 Pa 231.0359
-Pa(+5) PaO2+ 0 Pa 231.0359
-Pb Pb+2 0 Pb 207.2
-Pd Pd+2 -2 Pd 106.42
-Phthalat Phthalat-2 0 Phthalat 164.084
-Pu PuO2+2 0 Pu 244
-Pu(+3) Pu+3 0 Pu 244
-Pu(+4) Pu+4 0 Pu 244
-Pu(+5) PuO2+ 0 Pu 244
-Pu(+6) PuO2+2 0 Pu 244
-Pyrophos Pyrophos-4 0 Pyrophos 173.95
-Ra Ra+2 0 Ra 226.025
-Rb Rb+ 0 Rb 85.4678
-S SO4-2 0 SO4 32.066
-S(+2) S2O3-2 0 S 32.066
-S(+3) S2O4-2 0 S2O4-2 128.128
-S(+4) SO3-2 0 S 32.066
-S(+6) SO4-2 0 SO4 32.066
-S(-2) HS- 1 S 32.066
-Sb Sb(OH)3 0 Sb 121.76
-Sb(+3) Sb(OH)3 0 Sb 121.76
-Sb(+5) Sb(OH)5 0 Sb 121.76
-Scn Scn- 0 Scn 58.084
-Se SeO4-2 0 Se 78.96
-Se(+4) SeO3-2 0 Se 78.96
-Se(+6) SeO4-2 0 Se 78.96
-Se(-2) HSe- 0 Se 78.96
-Si H4(SiO4) 0 Si 28.0855
-Sm Sm+3 0 Sm 150.36
-Sn Sn+2 -1 Sn 118.71
-Sn(+2) Sn+2 -1 Sn 118.71
-Sn(+4) Sn+4 -4 Sn 118.71
-Sr Sr+2 0 Sr 87.62
-Suberate Suberate-2 0 Suberate 170.16
-Succinat Succinat-2 0 Succinat 116.07
-Tc TcO(OH)2 0 Tc 98
-Tc(+4) TcO(OH)2 0 Tc 98
-Tc(+6) TcO4-2 0 Tc 98
-Tc(+7) TcO4- 0 Tc 98
-Th Th+4 -3 Th 232.0381
-U UO2+2 0 U 238.0289
-U(+3) U+3 0 U 238.0289
-U(+4) U+4 0 U 238.0289
-U(+5) UO2+ 0 U 238.0289
-U(+6) UO2+2 0 U 238.0289
-Zn Zn+2 0 Zn 65.39
-Zr Zr+4 -4 Zr 91.22
-
-
-SIT
--epsilon
-
-(NpO2)2(OH)2+2 Cl- -0.248
-(NpO2)2(OH)2+2 ClO4- 0.57
-(NpO2)2CO3(OH)3- Na+ 0
-(NpO2)3(CO3)6-6 Na+ -0.46
-(NpO2)3(OH)5+ Cl- -0.226
-(NpO2)3(OH)5+ ClO4- 0.45
-(PuO2)2(OH)2+2 Cl- -0.248
-(PuO2)3(CO3)6-6 Na+ -0.46
-(UO2)2(CO3)(OH)3- Na+ 0
-(UO2)2(NpO2)(CO3)6-6 Na+ 0.09
-(UO2)2(OH)2+2 Cl- 0.69
-(UO2)2(OH)2+2 ClO4- 0.57
-(UO2)2(OH)2+2 NO3- 0.49
-(UO2)3(CO3)6-6 Na+ 0.37
-(UO2)3(OH)4+2 Cl- 0.5
-(UO2)3(OH)5+ Cl- 0.81
-Ag(SeO3)- Na+ -0.024
-Ag+ Cl- 0.031
-Al(OH)+2 Cl- 0.09
-Al(OH)2+ Cl- 0.09
-Al+3 Cl- 0.33
-Am(CO3)+ Cl- 0.129
-Am(CO3)+ ClO4- 0.17
-Am(CO3)2- Na+ -0.14
-Am(CO3)3-3 Na+ -0.23
-Am(CO3)5-6 Na+ -0.3
-Am(Edta)- Na+ 0.01
-Am(H2PO4)+2 Cl- 0.191
-Am(H2PO4)+2 ClO4- 0.39
-Am(NO3)+2 Cl- 0.191
-Am(NO3)+2 ClO4- 0.39
-Am(OH)+2 Cl- -0.04
-Am(OH)+2 ClO4- 0.39
-Am(OH)2+ Cl- -0.29
-Am(OH)2+ ClO4- 0.17
-Am(Ox)+ ClO4- 0.08
-Am(Ox)2- Na+ -0.21
-Am(Ox)3-3 Na+ -0.23
-Am(SO4)+ Cl- 0.157
-Am(SO4)+ ClO4- 0.22
-Am(SO4)2- Na+ -0.05
-Am+3 Cl- 0.23
-Am+3 ClO4- 0.49
-AmCl+2 Cl- 0.191
-AmCl+2 ClO4- 0.39
-AmCl2+ Cl- 0.129
-AmF+2 Cl- 0.191
-AmF+2 ClO4- 0.39
-AmF2+ Cl- 0.129
-AmF2+ ClO4- 0.17
-AmO2(CO3)- Na+ -0.18
-AmO2(CO3)2-3 Na+ -0.33
-AmO2(CO3)3-5 Na+ -0.53
-AmO2+ Cl- 0.09
-AmO2+2 Cl- 0.39
-B(OH)4- Na+ -0.07
-Ba+2 Cl- 0.07
-Ba+2 ClO4- 0.15
-Ba+2 NO3- -0.28
-Br- Na+ 0.05
-CO3-2 Na+ -0.08
-Ca+2 Cl- 0.14
-Ca+2 ClO4- 0.27
-Ca+2 NO3- 0.02
-Ca4Th(OH)8+4 Cl- -0.01
-Ca4Th(OH)8+4 ClO4- 0.21
-Cd(HCO3)+ Cl- 0.2
-Cd+2 Cl- 0.16
-Cd+2 NO3- 0.09
-CdCl+ Cl- 0.127
-CdCl+ ClO4- 0.25
-CdI+ Cl- 0.136
-CdI+ ClO4- 0.27
-Cit-3 Na+ -0.076
-Cl- Na+ 0.03
-Cm(CO3)2- Na+ 0.34
-Cm(CO3)3-3 Na+ 0.16
-Cm(H2PO4)+2 Cl- 0.191
-Cm(H2PO4)+2 ClO4- 0.39
-Cm(OH)+2 Cl- -0.04
-Cm(OH)+2 ClO4- 0.39
-Cm(OH)2+ Cl- -0.27
-Cm(OH)2+ ClO4- 0.17
-Cm(SO4)2- Na+ -0.05
-Cm+3 Cl- 0.23
-Cm+3 ClO4- 0.49
-CmCO3+ Cl- 0.35
-CmCl+2 Cl- 0.191
-CmCl+2 ClO4- 0.39
-CmCl2+ Cl- 0.129
-CmF+2 ClO4- 0.39
-CmF2+ ClO4- 0.17
-CmNO3+2 ClO4- 0.39
-CmSO4+ Cl- 0.157
-CmSO4+ ClO4- 0.22
-Cn- Na+ 0.07
-Co+2 Cl- 0.16
-Co+2 ClO4- 0.34
-Co+2 NO3- 0.14
-Cr+3 Cl- 0.3
-Cr+3 NO3- 0.27
-Cu+ ClO4- 0.11
-Cu+2 Cl- 0.08
-Cu+2 ClO4- 0.32
-Cu+2 NO3- 0.11
-Edta-4 Na+ 0.32
-Eu(CO3)+ Cl- 0.129
-Eu(CO3)+ ClO4- 0.17
-Eu(CO3)2- Na+ -0.14
-Eu(CO3)3-3 Na+ -0.23
-Eu(H2PO4)+2 Cl- 0.191
-Eu(H2PO4)+2 ClO4- 0.39
-Eu(NO3)+2 Cl- 0.191
-Eu(NO3)+2 ClO4- 0.39
-Eu(OH)+2 Cl- -0.04
-Eu(OH)+2 ClO4- 0.39
-Eu(OH)2+ Cl- -0.29
-Eu(OH)2+ ClO4- 0.17
-Eu(SO4)+ Cl- 0.157
-Eu(SO4)+ ClO4- 0.22
-Eu(SO4)2- Na+ -0.05
-Eu+3 Cl- 0.23
-Eu+3 ClO4- 0.49
-EuCl+2 Cl- 0.191
-EuCl+2 ClO4- 0.39
-EuCl2+ Cl- 0.129
-EuF+2 Cl- 0.191
-EuF2+ Cl- 0.129
-F- Na+ 0.02
-Fe(OH)+2 Cl- 0.186
-Fe+3 ClO4- 0.56
-Fe+3 NO3- 0.42
-H(Cit)-2 Na+ -0.04
-H(Edta)-3 Na+ -0.1
-H(Ox)- Na+ -0.07
-H(SO4)- Na+ -0.01
-H(SeO3)- Na+ 0.02
-H(SeO4)- Na+ 0
-H+ Cl- 0.12
-H+ ClO4- 0.14
-H+ NO3- 0.07
-H2(Cit)- Na+ -0.05
-H2(Edta)-2 Na+ -0.37
-H2(PO4)- Na+ -0.08
-H2(SiO4)-2 Na+ -0.1
-H3(Edta)- Na+ -0.33
-H3(SiO4)- Na+ -0.08
-H5(Edta)+ Cl- -0.23
-H5(Edta)+ ClO4- -0.23
-H5(Edta)+ NO3- -0.23
-H6(Edta)+2 Cl- -0.2
-H6(Edta)+2 ClO4- -0.2
-H6(Edta)+2 NO3- -0.2
-HCO3- Na+ 0
-HGlu- Na+ -0.07
-HIsa- Na+ -0.07
-HMoO4- Na+ -0.099
-HPO4-2 Na+ -0.15
-Hf(NO3)2+2 ClO4- 0.84
-Hf(OH)+3 ClO4- 0.57
-Hf+4 Cl- 0.89
-Hf+4 ClO4- 0.89
-Hf+4 NO3- 0.89
-HfCl+3 ClO4- 0.87
-HfCl2+2 ClO4- 0.84
-HfF+3 ClO4- 0.63
-HfF2+2 ClO4- 0.47
-HfNO3+3 ClO4- 0.91
-Hg(SeO3)2-2 Na+ 0.008
-Hg+2 Cl- 0.168
-Hg2+2 Cl- 0.054
-Ho(CO3)+ Cl- 0.129
-Ho(CO3)+ ClO4- 0.17
-Ho(CO3)2- Na+ -0.14
-Ho(CO3)3-3 Na+ -0.23
-Ho(H2PO4)+2 Cl- 0.191
-Ho(H2PO4)+2 ClO4- 0.39
-Ho(NO3)+2 Cl- 0.191
-Ho(NO3)+2 ClO4- 0.39
-Ho(OH)+2 Cl- -0.04
-Ho(OH)+2 ClO4- 0.39
-Ho(OH)2+ Cl- -0.29
-Ho(OH)2+ ClO4- 0.17
-Ho(SO4)+ Cl- 0.157
-Ho(SO4)+ ClO4- 0.22
-Ho(SO4)2- Na+ -0.05
-Ho+3 Cl- 0.23
-Ho+3 ClO4- 0.49
-HoCl+2 Cl- 0.191
-HoCl+2 ClO4- 0.39
-HoCl2+ Cl- 0.129
-HoF+2 Cl- 0.191
-HoF+2 ClO4- 0.39
-HoF2+ Cl- 0.129
-HoF2+ ClO4- 0.17
-I- Na+ 0.08
-IO3- Na+ -0.06
-K+ Cl- 0
-K+ NO3- -0.11
-Li+ Cl- 0.1
-Li+ ClO4- 0.15
-Li+ NO3- 0.08
-Mg(Cit)- Na+ 0.03
-Mg(Edta)-2 Na+ -0.01
-Mg(HEdta)- Na+ 0.11
-Mg(Ox)2-2 Na+ -0.15
-Mg+2 Cl- 0.19
-Mg+2 ClO4- 0.33
-Mg+2 NO3- 0.17
-Mn+2 Cl- 0.13
-Mo7O21(OH)3-3 Na+ -1.455
-Mo7O22(OH)2-4 Na+ -1.346
-Mo7O23(OH)-5 Na+ -1.145
-Mo7O24-6 Na+ -1.265
-MoO4-2 Na+ 0.034
-NH4+ Cl- -0.01
-NH4+ ClO4- -0.08
-NH4+ NO3- -0.06
-NO3- Na+ -0.04
-Na+ ClO4- 0.01
-Ni(CO3)2-2 Na+ 0.003
-Ni(Cit)- Na+ 0.22
-Ni(Cn)4-2 Na+ 0.185
-Ni(Cn)5-3 Na+ 0.25
-Ni(HCO3)+ Cl- 0.085
-Ni(NO3)+ Cl- 0.06
-Ni(NO3)+ ClO4- 0.44
-Ni(OH)+ Cl- -0.01
-Ni(OH)+ ClO4- 0.14
-Ni(OH)3- Na+ 0.88
-Ni(SO4)2-2 Na+ -0.263
-Ni(Scn)+ Cl- 0.11
-Ni(Scn)+ ClO4- 0.31
-Ni(Scn)3- Na+ 0.66
-Ni+2 Cl- 0.17
-Ni+2 ClO4- 0.37
-Ni+2 NO3- 0.182
-Ni4(OH)4+4 ClO4- 1.08
-NiCl+ Cl- 0.1
-NiCl+ ClO4- 0.34
-NiF+ Cl- 0.065
-NiF+ ClO4- 0.34
-NiHS+ ClO4- -0.85
-Np(CO3)(OH)3- Na+ -0.11
-Np(CO3)+ Cl- 0.129
-Np(CO3)+ ClO4- 0.17
-Np(CO3)2- Na+ -0.14
-Np(CO3)3-3 Na+ -0.23
-Np(CO3)4-4 Na+ -0.09
-Np(CO3)5-6 Na+ 0
-Np(NO3)+3 ClO4- 0.71
-Np(OH)+2 Cl- -0.04
-Np(OH)+2 ClO4- 0.39
-Np(OH)+3 Cl- 0.2
-Np(OH)+3 ClO4- 0.5
-Np(OH)2+ Cl- -0.29
-Np(OH)2+ ClO4- 0.17
-Np(OH)2+2 Cl- 0.1
-Np(OH)3+ Cl- 0.05
-Np(OH)4(CO3)-2 Na+ -0.13
-Np(SO4)+ Cl- 0.157
-Np(SO4)+ ClO4- 0.22
-Np(SO4)+2 Cl- 0.232
-Np(SO4)+2 ClO4- 0.48
-Np(SO4)2- Na+ -0.05
-Np+3 Cl- 0.23
-Np+3 ClO4- 0.49
-Np+4 Cl- 0.4
-Np+4 ClO4- 0.84
-NpCl+3 ClO4- 0.81
-NpF+3 ClO4- 0.58
-NpF2+2 Cl- 0.186
-NpF2+2 ClO4- 0.38
-NpF3+ Cl- 0.1
-NpI+3 ClO4- 0.77
-NpO2(CO3)- Na+ -0.18
-NpO2(CO3)2-2 Na+ -0.02
-NpO2(CO3)2-3 Na+ -0.33
-NpO2(CO3)2OH-4 Na+ -0.4
-NpO2(CO3)3-4 Na+ -0.4
-NpO2(CO3)3-5 Na+ -0.53
-NpO2(Cit)-2 Na+ -0.06
-NpO2(Edta)-3 Na+ 0.2
-NpO2(HEdta)-2 Na+ 0.07
-NpO2(HPO4)2-2 Na+ -0.1
-NpO2(NO3)+ Cl- 0.22
-NpO2(NO3)+ ClO4- 0.33
-NpO2(OH)+ Cl- -0.003
-NpO2(OH)+ ClO4- -0.06
-NpO2(OH)2- Na+ -0.01
-NpO2(Ox)- Na+ -0.4
-NpO2(Ox)2-3 Na+ -0.3
-NpO2(SO4)- Na+ -0.74
-NpO2(SO4)2-2 Na+ -0.12
-NpO2+ Cl- 0.09
-NpO2+ ClO4- 0.25
-NpO2+2 Cl- 0.223
-NpO2+2 ClO4- 0.46
-NpO2Cl+ Cl- 0.318
-NpO2Cl+ ClO4- 0.5
-NpO2F+ Cl- 0.197
-NpO2F+ ClO4- 0.29
-OH- Na+ 0.04
-Ox-2 Na+ -0.08
-PO4-3 Na+ -0.25
-Pa+4 Cl- 0.3
-PaO(OH)+2 Cl- 0.13
-Pb(OH)3- Na+ 0.02
-Pb(SO4)2-2 Na+ -0.52
-Pb+2 Cl- 0.081
-Pb+2 ClO4- 0.15
-Pb+2 NO3- -0.2
-PbF+ Cl- 0.14
-Pd(SO4)2-2 Na+ -0.12
-Pd+2 Cl- 0.16
-PdBr+ Cl- 0.175
-PdBr3- Na+ 0
-PdBr4-2 Na+ 0.1
-PdCl+ Cl- 0.175
-PdCl3- Na+ 0
-PdCl4-2 Na+ 0.1
-Pu(CO3)+ Cl- 0.129
-Pu(CO3)+ ClO4- 0.17
-Pu(CO3)2- Na+ -0.14
-Pu(CO3)3-3 Na+ -0.23
-Pu(CO3)4-4 Na+ -0.09
-Pu(CO3)5-6 Na+ 0
-Pu(NO3)+2 Cl- 0.191
-Pu(NO3)+2 ClO4- 0.39
-Pu(NO3)+3 ClO4- 0.59
-Pu(OH)+2 Cl- -0.04
-Pu(OH)+2 ClO4- 0.39
-Pu(OH)+3 Cl- 0.2
-Pu(OH)+3 ClO4- 0.5
-Pu(OH)2+ Cl- -0.29
-Pu(OH)2+ ClO4- 0.17
-Pu(OH)2+2 Cl- 0.1
-Pu(OH)3+ Cl- 0.05
-Pu(SO4)+ Cl- 0.157
-Pu(SO4)+ ClO4- 0.22
-Pu(SO4)+2 Cl- 0.232
-Pu(SO4)+2 ClO4- 0.36
-Pu(SO4)2- Na+ -0.05
-Pu+3 Cl- 0.23
-Pu+3 ClO4- 0.49
-Pu+4 Cl- 0.37
-Pu+4 ClO4- 0.82
-PuBr+3 Cl- 0.1
-PuBr+3 ClO4- 0.58
-PuCl+3 Cl- 0.1
-PuCl+3 ClO4- 0.85
-PuF+3 Cl- 0.1
-PuF+3 ClO4- 0.56
-PuF2+2 Cl- 0.177
-PuF2+2 ClO4- 0.36
-PuF3+ Cl- 0.1
-PuI+2 Cl- 0.191
-PuI+2 ClO4- 0.39
-PuI+3 Cl- 0.1
-PuO2(CO3)2-2 Na+ -0.7
-PuO2(CO3)3-4 Na+ -0.2
-PuO2(CO3)3-5 Na+ -0.53
-PuO2(OH)+ Cl- -0.003
-PuO2(SO4)- Na+ -0.74
-PuO2(SO4)2-2 Na+ -0.12
-PuO2+ Cl- 0.129
-PuO2+ ClO4- 0.24
-PuO2+2 Cl- 0.223
-PuO2+2 ClO4- 0.46
-PuO2CO3- Na+ -0.18
-PuO2Cl+ Cl- 0.318
-PuO2Cl+ ClO4- 0.5
-PuO2F+ Cl- 0.197
-PuO2F+ ClO4- 0.29
-PuO2F3- Na+ 0
-PuO2NO3+ Cl- 0.22
-PuO2NO3+ ClO4- 0.33
-SO3-2 Na+ -0.08
-SO4-2 Na+ -0.12
-Scn- Na+ 0.05
-SeO3-2 Na+ -0.08
-SeO4-2 Na+ -0.12
-Si2O2(OH)5- Na+ -0.08
-Si2O3(OH)4-2 Na+ -0.15
-Si3O5(OH)5-3 Na+ -0.25
-Si3O6(OH)3-3 Na+ -0.25
-Si4O8(OH)4-4 Na+ -0.26
-Sm(CO3)+ Cl- 0.129
-Sm(CO3)+ ClO4- 0.17
-Sm(CO3)2- Na+ -0.14
-Sm(CO3)3-3 Na+ -0.23
-Sm(H2PO4)+2 Cl- 0.191
-Sm(H2PO4)+2 ClO4- 0.39
-Sm(NO3)+2 Cl- 0.191
-Sm(NO3)+2 ClO4- 0.39
-Sm(OH)+2 Cl- -0.04
-Sm(OH)+2 ClO4- 0.39
-Sm(OH)2+ Cl- -0.29
-Sm(OH)2+ ClO4- 0.17
-Sm(SO4)+ Cl- 0.157
-Sm(SO4)+ ClO4- 0.22
-Sm(SO4)2- Na+ -0.05
-Sm+3 Cl- 0.23
-Sm+3 ClO4- 0.49
-SmCl+2 Cl- 0.191
-SmCl+2 ClO4- 0.39
-SmF+2 Cl- 0.191
-SmF+2 ClO4- 0.39
-Sn(OH)+ ClO4- -0.07
-Sn(OH)3- Na+ 0.22
-Sn+2 Cl- 0.14
-Sn+2 ClO4- 0.19
-Sn+4 ClO4- 0.7
-Sn3(OH)4+2 ClO4- -0.02
-SnBr+ ClO4- 0.17
-SnBr3- Na+ 0.16
-SnCl+ ClO4- 0.08
-SnCl3- Na+ 0.04
-SnF+ ClO4- 0.14
-Th(CO3)5-6 Na+ -0.3
-Th(H2PO4)+3 ClO4- 0.5
-Th(H2PO4)2+2 ClO4- 0.4
-Th(H3PO4)(H2PO4)+3 ClO4- 0.5
-Th(H3PO4)+4 ClO4- 0.7
-Th(NO3)+3 ClO4- 0.56
-Th(NO3)+3 NO3- 0.56
-Th(NO3)2+2 ClO4- 0.43
-Th(NO3)2+2 NO3- 0.43
-Th(OH)(CO3)4-5 Na+ -0.22
-Th(OH)+3 Cl- 0.19
-Th(OH)+3 ClO4- 0.48
-Th(OH)+3 NO3- 0.2
-Th(OH)2(CO3)2-2 Na+ -0.1
-Th(OH)2+2 Cl- 0.13
-Th(OH)2+2 ClO4- 0.33
-Th(OH)2+2 NO3- 0.1
-Th(OH)3(CO3)- Na+ -0.05
-Th(OH)3+ Cl- 0.06
-Th(OH)3+ ClO4- 0.15
-Th(OH)3+ NO3- 0.05
-Th(OH)4(CO3)-2 Na+ -0.1
-Th(SO4)+2 Cl- 0.14
-Th(SO4)+2 ClO4- 0.3
-Th(SO4)3-2 Na+ -0.091
-Th+4 Cl- 0.7
-Th+4 ClO4- 0.7
-Th+4 NO3- 0.7
-Th2(OH)2+6 Cl- 0.4
-Th2(OH)2+6 ClO4- 1.22
-Th2(OH)2+6 NO3- 0.69
-Th2(OH)3+5 Cl- 0.29
-Th2(OH)3+5 ClO4- 0.91
-Th2(OH)3+5 NO3- 0.69
-Th4(OH)12+4 Cl- 0.25
-Th4(OH)12+4 ClO4- 0.56
-Th4(OH)12+4 NO3- 0.42
-Th4(OH)8+8 Cl- 0.7
-Th4(OH)8+8 ClO4- 1.69
-Th4(OH)8+8 NO3- 1.59
-Th6(OH)14+10 Cl- 0.83
-Th6(OH)14+10 ClO4- 2.2
-Th6(OH)14+10 NO3- 2.9
-Th6(OH)15+9 Cl- 0.72
-Th6(OH)15+9 ClO4- 1.85
-Th6(OH)15+9 NO3- 2.2
-ThCl+3 Cl- 0.62
-ThCl+3 ClO4- 0.62
-ThF+3 ClO4- 0.48
-ThF+3 NO3- 0.25
-ThF2+2 ClO4- 0.3
-ThF2+2 NO3- 0.15
-ThF3+ ClO4- 0.1
-ThF3+ NO3- 0
-U(CO3)4-4 Na+ -0.09
-U(CO3)5-6 Na+ -0.3
-U(NO3)+3 ClO4- 0.62
-U(NO3)2+2 Cl- 0.236
-U(NO3)2+2 ClO4- 0.49
-U(OH)+3 Cl- 0.2
-U(OH)+3 ClO4- 0.48
-U(OH)2+2 Cl- 0.1
-U(OH)3+ Cl- 0.05
-U(SO4)+2 Cl- 0.149
-U(SO4)+2 ClO4- 0.3
-U+3 Cl- 0.23
-U+3 ClO4- 0.49
-U+4 Cl- 0.36
-U+4 ClO4- 0.76
-UBr+3 ClO4- 0.52
-UCl+3 Cl- 0.1
-UCl+3 ClO4- 0.5
-UF+3 Cl- 0.1
-UF+3 ClO4- 0.48
-UF2+2 Cl- 0.149
-UF2+2 ClO4- 0.3
-UF3+ Cl- 0.1
-UF3+ ClO4- 0.1
-UI+3 ClO4- 0.55
-UI+3 NO3- 0.56
-UO2(CO3)2-2 Na+ -0.02
-UO2(CO3)3-4 Na+ -0.01
-UO2(CO3)3-5 Na+ -0.62
-UO2(Cit)- Na+ -0.11
-UO2(NO3)+ Cl- 0.22
-UO2(NO3)+ ClO4- 0.33
-UO2(OH)+ Cl- -0.003
-UO2(OH)+ ClO4- -0.06
-UO2(OH)+ NO3- 0.51
-UO2(OH)3- Na+ -0.09
-UO2(Ox)2-2 Na+ -0.18
-UO2(Ox)3-4 Na+ -0.01
-UO2(SO4)2-2 Na+ -0.12
-UO2+ Cl- 0.18
-UO2+ ClO4- 0.26
-UO2+2 Cl- 0.46
-UO2+2 ClO4- 0.46
-UO2+2 NO3- 0.46
-UO2Br+ Cl- 0.169
-UO2Br+ ClO4- 0.24
-UO2Cl+ Cl- 0.22
-UO2Cl+ ClO4- 0.33
-UO2F+ Cl- 0.04
-UO2F+ ClO4- 0.28
-UO2F3- Na+ -0.14
-UO2F4-2 Na+ -0.3
-Zn+2 Cl- 0.163
-Zn+2 ClO4- 0.33
-Zn+2 NO3- 0.16
-Zr(CO3)4-4 Na+ -0.09
-Zr(NO3)2+2 ClO4- 0.84
-Zr(OH)+3 ClO4- 0.57
-Zr(OH)2+2 ClO4- 0.62
-Zr(OH)6-2 Na+ -0.1
-Zr+4 Cl- 0.89
-Zr+4 ClO4- 0.89
-Zr+4 NO3- 0.89
-Zr4(OH)15+ ClO4- 0.09
-ZrCl+3 ClO4- 0.87
-ZrCl2+2 ClO4- 0.84
-ZrF+3 ClO4- 0.63
-ZrF2+2 ClO4- 0.47
-ZrF5- Na+ -0.14
-ZrF6-2 Na+ -0.15
-ZrNO3+3 ClO4- 0.88
-
-
-
-SOLUTION_SPECIES
-
-1.000H2O = H2O
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H+ = H+
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #89COX/WAG
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000e- = e-
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #89COX/WAG
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Acetate- = Acetate-
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -486.01 #kJ/mol #82WAG/EVA
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Adipate-2 = Adipate-2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ag+ = Ag+
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: 105.79 #kJ/mol #95SIL/BID
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3 = Al+3
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -538.4 #kJ/mol #95POK/HEL
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3 = Am+3
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -616.7 #kJ/mol #95SIL/BID
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000AsO4-3 = AsO4-3
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -888.14 #kJ/mol #09RAN/FUG
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000B(OH)4- = B(OH)4-
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -1345.116 #kJ/mol #99RAR/RAN
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ba+2 = Ba+2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -534.8 #kJ/mol #95SIL/BID
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Br- = Br-
- log_k 0.000 #95SIL/BID
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -121.41 #kJ/mol #95SIL/BID
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000CO3-2 = CO3-2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -675.23 #kJ/mol #89COX/WAG
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 = Ca+2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -543 #kJ/mol #89COX/WAG
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2 = Cd+2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -75.92 #kJ/mol #89COX/WAG
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cit-3 = Cit-3
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -1519.92 #kJ/mol
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cl- = Cl-
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -167.08 #kJ/mol #89COX/WAG
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cm+3 = Cm+3
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -615 #kJ/mol #01KON2
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cn- = Cn-
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: 150.624 #kJ/mol #92JOH/OEL
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Co+2 = Co+2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -57.6 #kJ/mol #98PLY/ZHA1
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000CrO4-2 = CrO4-2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -879 #kJ/mol
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cs+ = Cs+
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -258 #kJ/mol #95SIL/BID
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cu+2 = Cu+2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: 64.9 #kJ/mol #92GRE/FUG
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Edta-4 = Edta-4
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -1704.8 #kJ/mol #05HUM/AND
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3 = Eu+3
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -605.331 #kJ/mol
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000F- = F-
- log_k 0.000 #95SIL/BID
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -335.35 #kJ/mol #95SIL/BID
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 = Fe+2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -90 #kJ/mol #98CHI
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H2(PO4)- = H2(PO4)-
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -1302.6 #kJ/mol #89COX/WAG
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H4(SiO4) = H4(SiO4)
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -1461.194 #kJ/mol
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000HGlu- = HGlu-
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000HIsa- = HIsa-
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Hf+4 = Hf+4
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -628.91 #kJ/mol #99VAS/LYT
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Hg+2 = Hg+2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: 170.21 #kJ/mol #92GRE/FUG
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ho+3 = Ho+3
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -707.042 #kJ/mol
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000I- = I-
- log_k 0.000 #92GRE/FUG
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -56.78 #kJ/mol #92GRE/FUG
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000K+ = K+
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -252.14 #kJ/mol #89COX/WAG
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Li+ = Li+
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Malonate-2 = Malonate-2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2 = Mg+2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -467 #kJ/mol #89COX/WAG
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 = Mn+2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -220.8 #kJ/mol #95ROB/HEM
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000MoO4-2 = MoO4-2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -997 #kJ/mol #74OHA
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NO3- = NO3-
- log_k 0.000 #92GRE/FUG
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -206.85 #kJ/mol #92GRE/FUG
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Na+ = Na+
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -240.34 #kJ/mol #92GRE/FUG (89COX/WAG)
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Nb(OH)6- = Nb(OH)6-
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -1925.665 #kJ/mol
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 = Ni+2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -55.012 #kJ/mol #05GAM/BUG
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+2 = NpO2+2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -860.733 #kJ/mol #01LEM/FUG
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Nta-3 = Nta-3
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ox-2 = Ox-2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -830.66 #kJ/mol
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pa+4 = Pa+4
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -620 #kJ/mol #85BAR/PAR
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pb+2 = Pb+2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: 0.92 #kJ/mol #89COX/WAG
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pd+2 = Pd+2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: 189.883 #kJ/mol
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Phthalat-2 = Phthalat-2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2 = PuO2+2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -822.036 #kJ/mol #01LEM/FUG
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pyrophos-4 = Pyrophos-4
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ra+2 = Ra+2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -528.025 #kJ/mol
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Rb+ = Rb+
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -251.12 #kJ/mol #92GRE/FUG
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000SO4-2 = SO4-2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -909.34 #kJ/mol #89COX/WAG
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sb(OH)3 = Sb(OH)3
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -733.892 #kJ/mol
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Scn- = Scn-
- log_k 0.000 #92GRE/FUG
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: 76.4 #kJ/mol #92GRE/FUG
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000SeO4-2 = SeO4-2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -603.5 #kJ/mol #05OLI/NOL
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sm+3 = Sm+3
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -691.199 #kJ/mol
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2 = Sn+2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -9.617 #kJ/mol #12GAM/GAJ
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 = Sr+2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -550.9 #kJ/mol #84BUS/PLUS
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Suberate-2 = Suberate-2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Succinat-2 = Succinat-2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000TcO(OH)2 = TcO(OH)2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -749.32 #kJ/mol
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 = Th+4
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -768.7 #kJ/mol #09RAN/FUG
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 = UO2+2
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -1019 #kJ/mol #92GRE/FUG
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Zn+2 = Zn+2
- log_k 0.000 #92GRE/FUG
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -153.39 #kJ/mol #92GRE/FUG
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Zr+4 = Zr+4
- log_k 0.000
- delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -608.5 #kJ/mol #05BRO/CUR
- -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-
-1.000Am+3 + 0.500H2O - 1.000H+ - 0.250O2 = Am+2
- log_k -60.375 #95SIL/BID
- delta_h 401.958 #kJ/mol
- # Enthalpy of formation: -354.624 #kJ/mol
- -analytic 1.00448E+1 0E+0 -2.09957E+4 0E+0 0E+0
-
-1.000Am+3 - 0.500H2O + 1.000H+ + 0.250O2 = Am+4
- log_k -22.715
- delta_h 70.819 #kJ/mol
- # Enthalpy of formation: -406 #kJ/mol #95SIL/BID
- -analytic -1.03081E+1 0E+0 -3.6991E+3 0E+0 0E+0
-
-- 2.000H+ + 1.000Am+3 + 1.000H2O + 0.500O2 = AmO2+
- log_k -15.380
- delta_h 104.337 #kJ/mol #95SIL/BID
- # Enthalpy of formation: -804.26 #kJ/mol
- -analytic 2.89903E+0 0E+0 -5.44989E+3 0E+0 0E+0
-
-- 1.000H+ + 1.000Am+3 + 0.500H2O + 0.750O2 = AmO2+2
- log_k -20.865
- delta_h 117.956 #kJ/mol #95SIL/BID
- # Enthalpy of formation: -650.76 #kJ/mol
- -analytic -2.00114E-1 0E+0 -6.16124E+3 0E+0 0E+0
-
-2.000H+ + 1.000CO3-2 + 1.000H2O - 2.000O2 = CH4
- log_k -133.770
- delta_h 848.886 #kJ/mol
- # Enthalpy of formation: -87.906 #kJ/mol #01SCH/SHO
- -analytic 1.49482E+1 0E+0 -4.43403E+4 0E+0 0E+0
-
-4.000H+ + 1.000CrO4-2 - 2.000H2O - 1.000O2 = Cr+2
- log_k -18.760 #04CHI
- delta_h 137.587 #kJ/mol
- # Enthalpy of formation: -157.62 #kJ/mol
- -analytic 5.34417E+0 0E+0 -7.18666E+3 0E+0 0E+0
-
-5.000H+ + 1.000CrO4-2 - 2.500H2O - 0.750O2 = Cr+3
- log_k 9.135
- delta_h -85.176 #kJ/mol
- # Enthalpy of formation: -240.5 #kJ/mol #04CHI
- -analytic -5.78709E+0 0E+0 4.44902E+3 0E+0 0E+0
-
-1.000Cu+2 + 0.500H2O - 1.000H+ - 0.250O2 = Cu+
- log_k -18.855
- delta_h 146.652 #kJ/mol
- # Enthalpy of formation: 71.67 #kJ/mol #82WAG/EVA
- -analytic 6.8372E+0 0E+0 -7.66013E+3 0E+0 0E+0
-
-1.000Eu+3 + 0.500H2O - 1.000H+ - 0.250O2 = Eu+2
- log_k -27.465
- delta_h 217.611 #kJ/mol
- # Enthalpy of formation: -527.602 #kJ/mol #92JOH/OEL
- -analytic 1.06587E+1 0E+0 -1.13666E+4 0E+0 0E+0
-
-1.000Fe+2 - 0.500H2O + 1.000H+ + 0.250O2 = Fe+3
- log_k 8.485
- delta_h -98.882 #kJ/mol
- # Enthalpy of formation: -49 #kJ/mol #98CHI
- -analytic -8.83827E+0 0E+0 5.16493E+3 0E+0 0E+0
-
-1.000H2O - 0.500O2 = H2
- log_k -46.070
- delta_h 275.563 #kJ/mol
- # Enthalpy of formation: -4.2 #kJ/mol #82WAG/EVA
- -analytic 2.20649E+0 0E+0 -1.43936E+4 0E+0 0E+0
-
-3.000H+ + 1.000AsO4-3 - 0.500O2 = H3(AsO3)
- log_k -2.960
- delta_h 139.873 #kJ/mol
- # Enthalpy of formation: -742.2 #kJ/mol #09RAN/FUG
- -analytic 2.15447E+1 0E+0 -7.30606E+3 0E+0 0E+0
-
-1.000H+ + 1.000SO4-2 - 2.000O2 = HS-
- log_k -138.270
- delta_h 868.772 #kJ/mol
- # Enthalpy of formation: -16.3 #kJ/mol #89COX/WAG
- -analytic 1.39321E+1 0E+0 -4.53791E+4 0E+0 0E+0
-
-1.000H+ + 1.000SeO4-2 - 2.000O2 = HSe-
- log_k -90.390
- delta_h 593.532 #kJ/mol
- # Enthalpy of formation: 14.3 #kJ/mol #05OLI/NOL
- -analytic 1.35922E+1 0E+0 -3.10023E+4 0E+0 0E+0
-
-2.000Hg+2 + 1.000H2O - 2.000H+ - 0.500O2 = Hg2+2
- log_k -12.200
- delta_h 106.213 #kJ/mol
- # Enthalpy of formation: 166.87 #kJ/mol #01LEM/FUG
- -analytic 6.40769E+0 0E+0 -5.54788E+3 0E+0 0E+0
-
-1.000I- + 1.500O2 = IO3-
- log_k 17.410 #92GRE/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -219.7 #kJ/mol #92GRE/FUG
- -analytic 1.741E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000H+ + 1.000NO3- + 1.000H2O - 2.000O2 = NH3
- log_k -61.960 #95SIL/BID
- delta_h 387.242 #kJ/mol
- # Enthalpy of formation: -81.17 #kJ/mol #95SIL/BID
- -analytic 5.88179E+0 0E+0 -2.0227E+4 0E+0 0E+0
-
-1.000Np+4 + 0.500H2O - 1.000H+ - 0.250O2 = Np+3
- log_k -17.795
- delta_h 168.720 #kJ/mol
- # Enthalpy of formation: -527.184 #kJ/mol #01LEM/FUG
- -analytic 1.17633E+1 0E+0 -8.81282E+3 0E+0 0E+0
-
-1.000NpO2+ + 3.000H+ - 1.500H2O - 0.250O2 = Np+4
- log_k -11.285
- delta_h -9.620 #kJ/mol
- # Enthalpy of formation: -556.022 #kJ/mol #01LEM/FUG
- -analytic -1.29703E+1 0E+0 5.02461E+2 0E+0 0E+0
-
-1.000NpO2+2 + 0.500H2O - 1.000H+ - 0.250O2 = NpO2+
- log_k -1.905
- delta_h 22.434 #kJ/mol
- # Enthalpy of formation: -978.181 #kJ/mol #01LEM/FUG
- -analytic 2.02517E+0 0E+0 -1.17178E+3 0E+0 0E+0
-
-- 4.000H+ - 4.000e- + 2.000H2O = O2
- log_k -85.980 #89COX/WAG
- delta_h 559.526 #kJ/mol
- # Enthalpy of formation: -12.134 #kJ/mol #01SCH/SHO
- -analytic 1.20446E+1 0E+0 -2.9226E+4 0E+0 0E+0
-
-- 3.000H+ + 1.000Pa+4 + 1.500H2O + 0.250O2 = PaO2+
- log_k 25.715 #85BAR/PAR, 76BAE/MES
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.5715E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4 + 0.500H2O - 1.000H+ - 0.250O2 = Pu+3
- log_k -3.805
- delta_h 87.987 #kJ/mol
- # Enthalpy of formation: -591.79 #kJ/mol #01LEM/FUG
- -analytic 1.16096E+1 0E+0 -4.59585E+3 0E+0 0E+0
-
-1.000PuO2+ + 3.000H+ - 1.500H2O - 0.250O2 = Pu+4
- log_k -4.045
- delta_h -61.547 #kJ/mol
- # Enthalpy of formation: -539.895 #kJ/mol #01LEM/FUG
- -analytic -1.48275E+1 0E+0 3.21479E+3 0E+0 0E+0
-
-1.000PuO2+2 + 0.500H2O - 1.000H+ - 0.250O2 = PuO2+
- log_k -5.675
- delta_h 51.791 #kJ/mol #01LEM/FUG
- # Enthalpy of formation: -910.127 #kJ/mol
- -analytic 3.39829E+0 0E+0 -2.7052E+3 0E+0 0E+0
-
-2.000H+ + 2.000SO4-2 - 1.000H2O - 2.000O2 = S2O3-2
- log_k -133.400
- delta_h 856.296 #kJ/mol
- # Enthalpy of formation: -652.286 #kJ/mol #04CHI
- -analytic 1.66164E+1 0E+0 -4.47274E+4 0E+0 0E+0
-
-2.000H+ + 2.000SO4-2 - 1.000H2O - 1.500O2 = S2O4-2
- log_k -118.270
- delta_h 761.149 #kJ/mol
- # Enthalpy of formation: -735.5 #kJ/mol #82WAG/EVA
- -analytic 1.50774E+1 0E+0 -3.97575E+4 0E+0 0E+0
-
-1.000SO4-2 - 0.500O2 = SO3-2
- log_k -46.610
- delta_h 272.213 #kJ/mol
- # Enthalpy of formation: -631.06 #kJ/mol #85GOL/PAR
- -analytic 1.0796E+0 0E+0 -1.42187E+4 0E+0 0E+0
-
-1.000Sb(OH)3 + 1.000H2O + 0.500O2 = Sb(OH)5
- log_k 21.250 #99LOT/OCH recalculated
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.125E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000SeO4-2 - 0.500O2 = SeO3-2
- log_k -14.950 #05OLI/NOL
- delta_h 90.273 #kJ/mol
- # Enthalpy of formation: -507.16 #kJ/mol #05OLI/NOL
- -analytic 8.65128E-1 0E+0 -4.71528E+3 0E+0 0E+0
-
-1.000Sn+2 - 1.000H2O + 2.000H+ + 0.500O2 = Sn+4
- log_k 30.010 #12GAM/GAJ; E¿=0.384V for Sn2+/Sn4+ reaction ( I=0)
- delta_h -301.645 #kJ/mol
- # Enthalpy of formation: -31.499 #kJ/mol
- -analytic -2.28359E+1 0E+0 1.5756E+4 0E+0 0E+0
-
-1.000TcO(OH)2 - 1.000H+ - 0.500H2O + 0.750O2 = TcO4-
- log_k 35.055
- delta_h -113.895 #kJ/mol
- # Enthalpy of formation: -729.4 #kJ/mol #99RAR/RAN
- -analytic 1.51016E+1 0E+0 5.94912E+3 0E+0 0E+0
-
-1.000TcO4- + 0.500H2O - 1.000H+ - 0.250O2 = TcO4-2
- log_k -32.295 #99RAR/RAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.2295E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4 + 0.500H2O - 1.000H+ - 0.250O2 = U+3
- log_k -30.845 #92GRE/FUG
- delta_h 241.982 #kJ/mol #92GRE/FUG
- # Enthalpy of formation: -489.1 #kJ/mol
- -analytic 1.15483E+1 0E+0 -1.26396E+4 0E+0 0E+0
-
-1.000UO2+2 + 2.000H+ - 1.000H2O - 0.500O2 = U+4
- log_k -33.950 #92GRE/FUG
- delta_h 135.903 #kJ/mol
- # Enthalpy of formation: -591.2 #kJ/mol #92GRE/FUG
- -analytic -1.01409E+1 0E+0 -7.0987E+3 0E+0 0E+0
-
-1.000UO2+2 + 0.500H2O - 1.000H+ - 0.250O2 = UO2+
- log_k -20.015
- delta_h 133.755 #kJ/mol
- # Enthalpy of formation: -1025.127 #kJ/mol
- -analytic 3.41775E+0 0E+0 -6.98647E+3 0E+0 0E+0
-
-
-2.000NpO2+2 - 2.000H+ + 2.000H2O = (NpO2)2(OH)2+2
- log_k -6.270 #01LEM/FUG
- delta_h 44.996 #kJ/mol
- # Enthalpy of formation: -2248.13 #kJ/mol
- -analytic 1.61295E+0 0E+0 -2.3503E+3 0E+0 0E+0
-
-2.000NpO2+2 - 3.000H+ + 1.000CO3-2 + 3.000H2O = (NpO2)2CO3(OH)3-
- log_k -2.870 #01LEM/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.87E+0 0E+0 0E+0 0E+0 0E+0
-
-3.000NpO2+2 + 6.000CO3-2 = (NpO2)3(CO3)6-6
- log_k 49.840 #01LEM/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.984E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000NpO2+2 - 5.000H+ + 5.000H2O = (NpO2)3(OH)5+
- log_k -17.120 #01LEM/FUG
- delta_h 110.667 #kJ/mol
- # Enthalpy of formation: -3900.682 #kJ/mol
- -analytic 2.268E+0 0E+0 -5.78053E+3 0E+0 0E+0
-
-2.000PuO2+2 - 2.000H+ + 2.000H2O = (PuO2)2(OH)2+2
- log_k -7.500 #01LEM/FUG
- delta_h 43.583 #kJ/mol
- # Enthalpy of formation: -2172.149 #kJ/mol
- -analytic 1.35403E-1 0E+0 -2.2765E+3 0E+0 0E+0
-
-3.000PuO2+2 + 6.000CO3-2 = (PuO2)3(CO3)6-6
- log_k 46.020 #01LEM/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.602E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000TcO(OH)2 - 1.000H+ + 1.000H2O = (TcO)(OH)3-
- log_k -10.800
- delta_h 39.030 #kJ/mol #97NGU/LAN
- # Enthalpy of formation: -996.12 #kJ/mol
- -analytic -3.96225E+0 0E+0 -2.03868E+3 0E+0 0E+0
-
-2.000Th+4 - 2.000H+ + 2.000Edta-4 + 2.000H2O = (Th(OH)(Edta))2-2
- log_k 43.700 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.37E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000U+4 - 2.000H+ + 2.000Edta-4 + 2.000H2O = (U(OH)(Edta))2-2
- log_k 51.700 #63ERM/KRO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.17E+1 0E+0 0E+0 0E+0 0E+0
-
-11.000UO2+2 - 12.000H+ + 6.000CO3-2 + 12.000H2O = (UO2)11(CO3)6(OH)12-2
- log_k 36.430 #92GRE/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.643E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000UO2+2 - 3.000H+ + 1.000CO3-2 + 3.000H2O = (UO2)2(CO3)(OH)3-
- log_k -0.860 #92GRE/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -8.6E-1 0E+0 0E+0 0E+0 0E+0
-
-2.000UO2+2 + 2.000Cit-3 = (UO2)2(Cit)2-2
- log_k 21.300 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.13E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000UO2+2 + 1.000Edta-4 = (UO2)2(Edta)
- log_k 20.600 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.06E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000UO2+2 + 1.000NpO2+2 + 6.000CO3-2 = (UO2)2(NpO2)(CO3)6-6
- log_k 53.590 #01LEM/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.359E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000UO2+2 - 1.000H+ + 1.000H2O = (UO2)2(OH)+3
- log_k -2.700 #92GRE/FUG
- delta_h 14.354 #kJ/mol
- # Enthalpy of formation: -2309.476 #kJ/mol
- -analytic -1.85291E-1 0E+0 -7.49761E+2 0E+0 0E+0
-
-2.000UO2+2 - 2.000H+ + 2.000H2O = (UO2)2(OH)2+2
- log_k -5.620 #92GRE/FUG
- delta_h 37.595 #kJ/mol
- # Enthalpy of formation: -2572.065 #kJ/mol
- -analytic 9.66352E-1 0E+0 -1.96372E+3 0E+0 0E+0
-
-3.000UO2+2 - 3.000H+ + 1.000CO3-2 + 3.000H2O = (UO2)3(CO3)(OH)3+
- log_k 0.660 #92GRE/FUG
- delta_h 81.159 #kJ/mol
- # Enthalpy of formation: -4361.23 #kJ/mol
- -analytic 1.48784E+1 0E+0 -4.23922E+3 0E+0 0E+0
-
-3.000UO2+2 + 6.000CO3-2 = (UO2)3(CO3)6-6
- log_k 54.000 #92GRE/FUG
- delta_h -62.700 #kJ/mol #92GRE/FUG
- # Enthalpy of formation: -7171.08 #kJ/mol
- -analytic 4.30154E+1 0E+0 3.27504E+3 0E+0 0E+0
-
-3.000UO2+2 - 4.000H+ + 4.000H2O = (UO2)3(OH)4+2
- log_k -11.900 #92GRE/FUG
- delta_h 84.264 #kJ/mol
- # Enthalpy of formation: -4251.906 #kJ/mol
- -analytic 2.8624E+0 0E+0 -4.40141E+3 0E+0 0E+0
-
-3.000UO2+2 - 5.000H+ + 5.000H2O = (UO2)3(OH)5+
- log_k -15.550 #92GRE/FUG
- delta_h 97.063 #kJ/mol
- # Enthalpy of formation: -4389.086 #kJ/mol
- -analytic 1.45468E+0 0E+0 -5.06995E+3 0E+0 0E+0
-
-3.000UO2+2 - 7.000H+ + 7.000H2O = (UO2)3(OH)7-
- log_k -32.200 #92SAN/BRU
- delta_h 229.868 #kJ/mol
- # Enthalpy of formation: -4827.942 #kJ/mol
- -analytic 8.07109E+0 0E+0 -1.20068E+4 0E+0 0E+0
-
-4.000UO2+2 - 7.000H+ + 7.000H2O = (UO2)4(OH)7+
- log_k -21.900 #92GRE/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.19E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ag+ + 2.000CO3-2 = Ag(CO3)2-3
- log_k 2.160 #97SVE/SHO
- delta_h -28.044 #kJ/mol
- # Enthalpy of formation: -1272.714 #kJ/mol
- -analytic -2.75309E+0 0E+0 1.46484E+3 0E+0 0E+0
-
-1.000Ag+ + 1.000HS- = Ag(HS)
- log_k 14.050 #74NAU/RYZ in 91BAL/NOR
- delta_h -78.826 #kJ/mol
- # Enthalpy of formation: 10.664 #kJ/mol
- -analytic 2.40298E-1 0E+0 4.11736E+3 0E+0 0E+0
-
-1.000Ag+ + 2.000HS- = Ag(HS)2-
- log_k 18.450 #74NAU/RYZ in 91BAL/NOR
- delta_h -105.805 #kJ/mol
- # Enthalpy of formation: -32.615 #kJ/mol
- -analytic -8.62131E-2 0E+0 5.52657E+3 0E+0 0E+0
-
-1.000Ag+ - 1.000H+ + 1.000H2O = Ag(OH)
- log_k -12.000 #76BAE/MES
- delta_h 47.178 #kJ/mol
- # Enthalpy of formation: -132.862 #kJ/mol
- -analytic -3.73478E+0 0E+0 -2.46427E+3 0E+0 0E+0
-
-1.000Ag+ - 2.000H+ + 2.000H2O = Ag(OH)2-
- log_k -24.000 #76BAE/MES
- delta_h 111.634 #kJ/mol
- # Enthalpy of formation: -354.236 #kJ/mol
- -analytic -4.44259E+0 0E+0 -5.83104E+3 0E+0 0E+0
-
-1.000Ag+ + 1.000S2O3-2 = Ag(S2O3)-
- log_k 9.230 #74BEL/MAR in 82H¿G
- delta_h -58.994 #kJ/mol #74BEL/MAR in 82H¿G
- # Enthalpy of formation: -601.724 #kJ/mol
- -analytic -1.10529E+0 0E+0 3.08147E+3 0E+0 0E+0
-
-1.000Ag+ + 2.000S2O3-2 = Ag(S2O3)2-3
- log_k 13.640 #72POU/RIG in 82H¿G
- delta_h -94.450 #kJ/mol
- # Enthalpy of formation: -1285.7 #kJ/mol #82WAG/EVA
- -analytic -2.90691E+0 0E+0 4.93346E+3 0E+0 0E+0
-
-1.000Ag+ + 1.000SO3-2 = Ag(SO3)-
- log_k 5.210
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.21E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ag+ + 1.000SO4-2 = Ag(SO4)-
- log_k 1.380
- delta_h 4.646 #kJ/mol
- # Enthalpy of formation: -798.904 #kJ/mol
- -analytic 2.19394E+0 0E+0 -2.42677E+2 0E+0 0E+0
-
-1.000Ag+ + 3.000H+ + 3.000Cn- + 3.000HSe- - 3.000H2O + 1.500O2 = Ag(SeCn)3-2
- log_k 181.900
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.819E+2 0E+0 0E+0 0E+0 0E+0
-
-1.000Ag+ + 1.000SeO3-2 = Ag(SeO3)-
- log_k 3.200 #Data from 68MEH and 69MEH/GUB in 05OLI/NOL corrected to I=0 by DH
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.2E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ag+ + 1.000Br- = AgBr
- log_k 4.240 #91BAL/NOR, 68WAG
- delta_h -23.129 #kJ/mol
- # Enthalpy of formation: -38.749 #kJ/mol
- -analytic 1.87979E-1 0E+0 1.20811E+3 0E+0 0E+0
-
-1.000Ag+ + 2.000Br- = AgBr2-
- log_k 7.280 #91BAL/NOR, 68WAG
- delta_h -45.296 #kJ/mol
- # Enthalpy of formation: -182.326 #kJ/mol
- -analytic -6.55507E-1 0E+0 2.36597E+3 0E+0 0E+0
-
-1.000Ag+ + 3.000Br- = AgBr3-2
- log_k 8.710 #91BAL/NOR, 68WAG
- delta_h -66.741 #kJ/mol
- # Enthalpy of formation: -325.181 #kJ/mol
- -analytic -2.9825E+0 0E+0 3.48612E+3 0E+0 0E+0
-
-1.000Ag+ + 1.000CO3-2 = AgCO3-
- log_k 2.690 #97SVE/SHO
- delta_h -22.832 #kJ/mol
- # Enthalpy of formation: -592.272 #kJ/mol
- -analytic -1.30999E+0 0E+0 1.1926E+3 0E+0 0E+0
-
-1.000Ag+ + 1.000Cl- = AgCl
- log_k 3.270 #91BAL/NOR
- delta_h -17.099 #kJ/mol
- # Enthalpy of formation: -78.389 #kJ/mol
- -analytic 2.74388E-1 0E+0 8.93142E+2 0E+0 0E+0
-
-1.000Ag+ + 2.000Cl- = AgCl2-
- log_k 5.270 #91BAL/NOR
- delta_h -28.752 #kJ/mol
- # Enthalpy of formation: -257.122 #kJ/mol
- -analytic 2.32873E-1 0E+0 1.50182E+3 0E+0 0E+0
-
-1.000Ag+ + 3.000Cl- = AgCl3-2
- log_k 5.290 #91BAL/NOR
- delta_h -29.163 #kJ/mol
- # Enthalpy of formation: -424.613 #kJ/mol
- -analytic 1.80869E-1 0E+0 1.52329E+3 0E+0 0E+0
-
-1.000Ag+ + 4.000Cl- = AgCl4-3
- log_k 5.510 #91BAL/NOR
- delta_h -26.094 #kJ/mol
- # Enthalpy of formation: -588.624 #kJ/mol
- -analytic 9.38534E-1 0E+0 1.36298E+3 0E+0 0E+0
-
-1.000Ag+ + 1.000I- = AgI
- log_k 6.580 #76SMI/MAR
- delta_h -36.962 #kJ/mol
- # Enthalpy of formation: 12.048 #kJ/mol
- -analytic 1.04545E-1 0E+0 1.93066E+3 0E+0 0E+0
-
-1.000Ag+ + 2.000I- = AgI2-
- log_k 11.700 #76SMI/MAR
- delta_h -76.578 #kJ/mol
- # Enthalpy of formation: -84.348 #kJ/mol
- -analytic -1.71587E+0 0E+0 3.99994E+3 0E+0 0E+0
-
-1.000Ag+ + 3.000I- = AgI3-2
- log_k 13.280
- delta_h -114.911 #kJ/mol
- # Enthalpy of formation: -179.461 #kJ/mol
- -analytic -6.85151E+0 0E+0 6.00221E+3 0E+0 0E+0
-
-1.000Ag+ + 1.000NO3- = AgNO3
- log_k -0.290 #91BAL/NOR, 68WAG
- delta_h -0.740 #kJ/mol
- # Enthalpy of formation: -101.8 #kJ/mol #82WAG/EVA
- -analytic -4.19642E-1 0E+0 3.86528E+1 0E+0 0E+0
-
-1.000Al+3 + 1.000Cit-3 = Al(Cit)
- log_k 9.900 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3 - 1.000H+ + 2.000Cit-3 + 1.000H2O = Al(Cit)2(OH)-4
- log_k 10.190 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.019E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3 + 2.000Cit-3 = Al(Cit)2-3
- log_k 14.130 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.413E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3 + 1.000Edta-4 = Al(Edta)-
- log_k 19.080 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.908E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3 + 1.000H+ + 1.000Cit-3 = Al(HCit)+
- log_k 12.900 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3 + 1.000H+ + 1.000Edta-4 = Al(HEdta)
- log_k 21.820 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.182E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3 + 1.000H+ + 1.000Nta-3 = Al(HNta)+
- log_k 15.130 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.513E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3 + 1.000H+ + 1.000Ox-2 = Al(HOx)+2
- log_k 7.500 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 7.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3 + 1.000IO3- = Al(IO3)+2
- log_k 2.460 #estimation NEA87 08/2/95
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.46E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3 + 2.000IO3- = Al(IO3)2+
- log_k 4.300 #estimation NEA87 08/2/95
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3 + 1.000Nta-3 = Al(Nta)
- log_k 13.230 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.323E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3 - 2.000H+ + 1.000Nta-3 + 2.000H2O = Al(Nta)(OH)2-2
- log_k -0.300 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3 + 2.000Nta-3 = Al(Nta)2-3
- log_k 20.800 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.08E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3 - 1.000H+ + 1.000Cit-3 + 1.000H2O = Al(OH)(Cit)-
- log_k 8.100 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.1E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3 - 1.000H+ + 1.000Edta-4 + 1.000H2O = Al(OH)(Edta)-2
- log_k 13.000 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Al(OH)(Nta)-
- log_k 6.790 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3 - 1.000H+ + 1.000H2O = Al(OH)+2
- log_k -4.950 #95POK/HEL
- delta_h 49.760 #kJ/mol
- # Enthalpy of formation: -774.47 #kJ/mol
- -analytic 3.76756E+0 0E+0 -2.59914E+3 0E+0 0E+0
-
-1.000Al+3 - 2.000H+ + 1.000Edta-4 + 2.000H2O = Al(OH)2(Edta)-3
- log_k 2.300 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3 - 2.000H+ + 2.000H2O = Al(OH)2+
- log_k -10.580
- delta_h 98.264 #kJ/mol
- # Enthalpy of formation: -1011.796 #kJ/mol #95POK/HEL
- -analytic 6.63509E+0 0E+0 -5.13268E+3 0E+0 0E+0
-
-1.000Al+3 - 2.000H+ + 1.000F- + 2.000H2O = Al(OH)2F
- log_k -4.210
- delta_h 118.636 #kJ/mol
- # Enthalpy of formation: -1326.774 #kJ/mol #01TAG/SCH
- -analytic 1.65741E+1 0E+0 -6.19678E+3 0E+0 0E+0
-
-1.000Al+3 - 2.000H+ + 2.000F- + 2.000H2O = Al(OH)2F2-
- log_k -1.990
- delta_h 134.839 #kJ/mol
- # Enthalpy of formation: -1645.921 #kJ/mol #01TAG/SCH
- -analytic 2.16327E+1 0E+0 -7.04312E+3 0E+0 0E+0
-
-1.000Al+3 - 3.000H+ + 3.000H2O = Al(OH)3
- log_k -16.420
- delta_h 144.686 #kJ/mol
- # Enthalpy of formation: -1251.204 #kJ/mol #95POK/HEL
- -analytic 8.92786E+0 0E+0 -7.55747E+3 0E+0 0E+0
-
-1.000Al+3 - 4.000H+ + 4.000H2O = Al(OH)4-
- log_k -22.870
- delta_h 180.881 #kJ/mol
- # Enthalpy of formation: -1500.839 #kJ/mol #95POK/HEL
- -analytic 8.81894E+0 0E+0 -9.44806E+3 0E+0 0E+0
-
-1.000Al+3 + 1.000Ox-2 = Al(Ox)+
- log_k 9.400 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.4E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3 + 2.000Ox-2 = Al(Ox)2-
- log_k 15.390 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.539E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3 + 3.000Ox-2 = Al(Ox)3-3
- log_k 18.300 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.83E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3 + 1.000SO4-2 = Al(SO4)+
- log_k 3.170 #01TAG/SCH
- delta_h 18.870 #kJ/mol
- # Enthalpy of formation: -1428.87 #kJ/mol
- -analytic 6.47588E+0 0E+0 -9.85647E+2 0E+0 0E+0
-
-2.000Al+3 - 2.000H+ + 4.000Ox-2 + 2.000H2O = Al2(Ox)4(OH)2-4
- log_k -6.000 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -6E+0 0E+0 0E+0 0E+0 0E+0
-
-3.000Al+3 - 4.000H+ + 3.000Cit-3 + 4.000H2O = Al3(Cit)3(OH)4-4
- log_k 20.600 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.06E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000Al+3 - 3.000H+ + 3.000Ox-2 + 3.000H2O = Al3(Ox)3(OH)3
- log_k 16.000 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.6E+1 0E+0 0E+0 0E+0 0E+0
-
-4.000Al+3 - 4.000H+ + 4.000Ox-2 + 4.000H2O = Al4(Ox)4(OH)4
- log_k 21.000 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.1E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3 + 1.000F- = AlF+2
- log_k 6.980 #01TAG/SCH
- delta_h -0.346 #kJ/mol
- # Enthalpy of formation: -874.096 #kJ/mol
- -analytic 6.91938E+0 0E+0 1.80728E+1 0E+0 0E+0
-
-1.000Al+3 + 2.000F- = AlF2+
- log_k 12.500 #01TAG/SCH
- delta_h 0.420 #kJ/mol
- # Enthalpy of formation: -1208.68 #kJ/mol
- -analytic 1.25736E+1 0E+0 -2.19381E+1 0E+0 0E+0
-
-1.000Al+3 + 3.000F- = AlF3
- log_k 16.550 #01TAG/SCH
- delta_h 0.615 #kJ/mol
- # Enthalpy of formation: -1543.835 #kJ/mol
- -analytic 1.66577E+1 0E+0 -3.21236E+1 0E+0 0E+0
-
-1.000Al+3 + 4.000F- = AlF4-
- log_k 18.930 #01TAG/SCH
- delta_h 0.823 #kJ/mol
- # Enthalpy of formation: -1878.977 #kJ/mol
- -analytic 1.90742E+1 0E+0 -4.29882E+1 0E+0 0E+0
-
-1.000Al+3 - 1.000H+ + 1.000H4(SiO4) = AlH3SiO4+2
- log_k -2.380 #01TAG/SCH
- delta_h 77.389 #kJ/mol
- # Enthalpy of formation: -1922.205 #kJ/mol
- -analytic 1.1178E+1 0E+0 -4.0423E+3 0E+0 0E+0
-
-1.000Al+3 - 1.000H+ + 2.000F- + 1.000H2O = AlOHF2
- log_k 0.210
- delta_h 139.337 #kJ/mol
- # Enthalpy of formation: -1355.593 #kJ/mol #01TAG/SCH
- -analytic 2.46208E+1 0E+0 -7.27807E+3 0E+0 0E+0
-
-1.000Am+3 + 1.000Acetate- = Am(Acetate)+2
- log_k 2.940 #11RIC/GRI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.94E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3 + 2.000Acetate- = Am(Acetate)2+
- log_k 5.070 #69MOS
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.07E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3 + 3.000Acetate- = Am(Acetate)3
- log_k 6.540 #69MOS
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.54E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3 + 1.000CO3-2 = Am(CO3)+
- log_k 7.900 #recalculated from 03GUI/FAN
- delta_h 158.156 #kJ/mol
- # Enthalpy of formation: -1133.774 #kJ/mol
- -analytic 3.56077E+1 0E+0 -8.26105E+3 0E+0 0E+0
-
-1.000Am+3 + 2.000CO3-2 = Am(CO3)2-
- log_k 12.600 #recalculated from 03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.26E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3 + 3.000CO3-2 = Am(CO3)3-3
- log_k 14.600 #Recalculated from 03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.46E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3 + 5.000CO3-2 - 0.500H2O + 1.000H+ + 0.250O2 = Am(CO3)5-6
- log_k 16.395 #03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.6395E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3 + 1.000Cit-3 = Am(Cit)
- log_k 8.550 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.55E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3 + 2.000Cit-3 = Am(Cit)2-3
- log_k 13.900 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.39E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3 + 1.000Edta-4 = Am(Edta)-
- log_k 19.670 #05HUM/AND
- delta_h -10.600 #kJ/mol
- # Enthalpy of formation: -2332.1 #kJ/mol
- -analytic 1.7813E+1 0E+0 5.53676E+2 0E+0 0E+0
-
-1.000Am+3 + 1.000H2(PO4)- = Am(H2PO4)+2
- log_k 3.000 #95SIL/BID
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H+ + 1.000Am+3 + 1.000CO3-2 = Am(HCO3)+2
- log_k 13.430 #03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.343E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000H+ + 1.000Am+3 + 1.000Cit-3 = Am(HCit)+
- log_k 12.860 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.286E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000H+ + 1.000Am+3 + 2.000Cit-3 = Am(HCit)2-
- log_k 23.520 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.352E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000H+ + 1.000Am+3 + 1.000Edta-4 = Am(HEdta)
- log_k 21.840 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.184E+1 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+ + 1.000Am+3 + 1.000H2(PO4)- = Am(HPO4)+
- log_k -1.740
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.74E+0 0E+0 0E+0 0E+0 0E+0
-
-- 2.000H+ + 1.000Am+3 + 2.000H2(PO4)- = Am(HPO4)2-
- log_k -5.310
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -5.31E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3 + 1.000NO3- = Am(NO3)+2
- log_k 1.330 #95SIL/BID
- delta_h 1.800 #kJ/mol #09SKE/PAN
- # Enthalpy of formation: -821.75 #kJ/mol
- -analytic 1.64535E+0 0E+0 -9.40204E+1 0E+0 0E+0
-
-1.000Am+3 + 1.000Nta-3 = Am(Nta)
- log_k 13.000 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3 + 2.000Nta-3 = Am(Nta)2-3
- log_k 22.000 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.2E+1 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+ + 1.000Am+3 + 1.000H2O = Am(OH)+2
- log_k -7.200 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE
- delta_h 78.411 #kJ/mol
- # Enthalpy of formation: -824.119 #kJ/mol
- -analytic 6.537E+0 0E+0 -4.09569E+3 0E+0 0E+0
-
-- 2.000H+ + 1.000Am+3 + 2.000H2O = Am(OH)2+
- log_k -15.100 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE
- delta_h 143.704 #kJ/mol
- # Enthalpy of formation: -1044.656 #kJ/mol
- -analytic 1.00758E+1 0E+0 -7.50617E+3 0E+0 0E+0
-
-- 3.000H+ + 1.000Am+3 + 3.000H2O = Am(OH)3
- log_k -26.200 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE
- delta_h 230.125 #kJ/mol
- # Enthalpy of formation: -1244.065 #kJ/mol
- -analytic 1.41161E+1 0E+0 -1.20202E+4 0E+0 0E+0
-
-- 3.000H+ + 1.000Am+3 + 1.000HGlu- + 3.000H2O = Am(OH)3(HGlu)-
- log_k -19.700 #05TIT/WIE
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.97E+1 0E+0 0E+0 0E+0 0E+0
-
-- 3.000H+ + 1.000Am+3 + 1.000HIsa- + 3.000H2O = Am(OH)3(HIsa)-
- log_k -21.500 #05TIT/WIE
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.15E+1 0E+0 0E+0 0E+0 0E+0
-
-- 4.000H+ + 1.000Am+3 + 4.000H2O = Am(OH)4-
- log_k -40.700 #07NEC/ALT2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.07E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3 + 1.000Ox-2 = Am(Ox)+
- log_k 6.510 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.51E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3 + 2.000Ox-2 = Am(Ox)2-
- log_k 10.710 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.071E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3 + 3.000Ox-2 = Am(Ox)3-3
- log_k 13.000 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0
-
-- 4.000H+ + 1.000Am+3 + 2.000H2(PO4)- = Am(PO4)2-3
- log_k -19.430
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.943E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3 + 1.000Phthalat-2 = Am(Phthalat)+
- log_k 4.930 #In analogy with Cm
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.93E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3 + 1.000SO4-2 = Am(SO4)+
- log_k 3.450 #12GRI/GAR1
- delta_h 15.493 #kJ/mol
- # Enthalpy of formation: -1510.547 #kJ/mol
- -analytic 6.16425E+0 0E+0 -8.09255E+2 0E+0 0E+0
-
-1.000Am+3 + 2.000SO4-2 = Am(SO4)2-
- log_k 4.570 #12GRI/GAR1
- delta_h 20.927 #kJ/mol
- # Enthalpy of formation: -2414.453 #kJ/mol
- -analytic 8.23625E+0 0E+0 -1.09309E+3 0E+0 0E+0
-
-1.000Am+3 + 1.000Cl- = AmCl+2
- log_k 0.240 #97K¿N/FAN
- delta_h 25.106 #kJ/mol
- # Enthalpy of formation: -758.674 #kJ/mol
- -analytic 4.63838E+0 0E+0 -1.31138E+3 0E+0 0E+0
-
-1.000Am+3 + 2.000Cl- = AmCl2+
- log_k -0.740 #97K¿N/FAN
- delta_h 40.568 #kJ/mol
- # Enthalpy of formation: -910.292 #kJ/mol
- -analytic 6.3672E+0 0E+0 -2.11901E+3 0E+0 0E+0
-
-1.000Am+3 + 1.000F- = AmF+2
- log_k 3.400 #03GUI/FAN
- delta_h 27.134 #kJ/mol
- # Enthalpy of formation: -924.916 #kJ/mol
- -analytic 8.15367E+0 0E+0 -1.41731E+3 0E+0 0E+0
-
-1.000Am+3 + 2.000F- = AmF2+
- log_k 5.800 #95SIL/BID
- delta_h 22.320 #kJ/mol
- # Enthalpy of formation: -1265.08 #kJ/mol
- -analytic 9.71029E+0 0E+0 -1.16585E+3 0E+0 0E+0
-
-1.000Am+3 + 3.000F- = AmF3
- log_k 10.820 #69AZI/LYL
- delta_h -12.119 #kJ/mol
- # Enthalpy of formation: -1634.869 #kJ/mol
- -analytic 8.69685E+0 0E+0 6.33019E+2 0E+0 0E+0
-
-1.000AmO2+ + 1.000CO3-2 = AmO2(CO3)-
- log_k 5.100 #03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.1E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000AmO2+ + 2.000CO3-2 = AmO2(CO3)2-3
- log_k 6.700 #03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000AmO2+ + 3.000CO3-2 = AmO2(CO3)3-5
- log_k 5.100 #03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.1E+0 0E+0 0E+0 0E+0 0E+0
-
-- 2.000H+ + 1.000AmO2+ + 2.000H2O = AmO2(OH)2-
- log_k -23.600 #03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.36E+1 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+ + 1.000AmO2+ + 1.000H2O = AmO2OH
- log_k -11.300 #03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.13E+1 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+ + 1.000Am+3 + 1.000H4(SiO4) = AmOSi(OH)3+2
- log_k -2.310 #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.31E+0 0E+0 0E+0 0E+0 0E+0
-
-- 2.000H+ + 1.000Am+3 + 1.000H2(PO4)- = AmPO4
- log_k -7.760
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -7.76E+0 0E+0 0E+0 0E+0 0E+0
-
-- 3.000H+ + 1.000H3(AsO3) = AsO3-3
- log_k -38.590 #79IVA/VOR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.859E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000H+ + 1.000B(OH)4- - 1.000H2O = B(OH)3
- log_k 9.240
- delta_h -13.514 #kJ/mol
- # Enthalpy of formation: -1072.8 #kJ/mol #01LEM/FUG
- -analytic 6.87245E+0 0E+0 7.05884E+2 0E+0 0E+0
-
-2.000H+ + 3.000B(OH)4- - 7.000H2O = B3O5-
- log_k 20.900 #97CRO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.09E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000H+ + 4.000B(OH)4- - 9.000H2O = B4O7-2
- log_k 21.900 #97CRO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.19E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000H+ + 1.000F- + 1.000B(OH)4- - 1.000H2O = BF(OH)3-
- log_k 8.940 #77NOR/JEN
- delta_h -39.078 #kJ/mol #77NOR/JEN
- # Enthalpy of formation: -1433.714 #kJ/mol
- -analytic 2.09384E+0 0E+0 2.04118E+3 0E+0 0E+0
-
-2.000H+ + 2.000F- + 1.000B(OH)4- - 2.000H2O = BF2(OH)2-
- log_k 16.970 #77NOR/JEN
- delta_h -38.702 #kJ/mol #77NOR/JEN
- # Enthalpy of formation: -1482.858 #kJ/mol
- -analytic 1.01897E+1 0E+0 2.02154E+3 0E+0 0E+0
-
-3.000H+ + 3.000F- + 1.000B(OH)4- - 3.000H2O = BF3(OH)-
- log_k 23.010 #77NOR/JEN
- delta_h -38.326 #kJ/mol #77NOR/JEN
- # Enthalpy of formation: -1532.002 #kJ/mol
- -analytic 1.62956E+1 0E+0 2.0019E+3 0E+0 0E+0
-
-4.000H+ + 4.000F- + 1.000B(OH)4- - 4.000H2O = BF4-
- log_k 29.620 #77NOR/JEN
- delta_h 73.680 #kJ/mol #77NOR/JEN
- # Enthalpy of formation: -1616.876 #kJ/mol
- -analytic 4.25282E+1 0E+0 -3.84857E+3 0E+0 0E+0
-
-1.000Ba+2 + 1.000CO3-2 = Ba(CO3)
- log_k 2.710 #86BUS/PLU
- delta_h 14.841 #kJ/mol #86BUS/PLU
- # Enthalpy of formation: -1195.189 #kJ/mol
- -analytic 5.31003E+0 0E+0 -7.75198E+2 0E+0 0E+0
-
-1.000Ba+2 + 1.000H+ + 1.000CO3-2 = Ba(HCO3)+
- log_k 11.310 #86BUS/PLU
- delta_h 8.560 #kJ/mol #86BUS/PLU
- # Enthalpy of formation: -1201.47 #kJ/mol
- -analytic 1.28096E+1 0E+0 -4.47119E+2 0E+0 0E+0
-
-1.000Ba+2 + 1.000NO3- = Ba(NO3)+
- log_k -0.310
- delta_h 6.819 #kJ/mol
- # Enthalpy of formation: -734.831 #kJ/mol
- -analytic 8.84636E-1 0E+0 -3.56181E+2 0E+0 0E+0
-
-1.000Ba+2 - 1.000H+ + 1.000H2O = Ba(OH)+
- log_k -13.470 #76BAE/MES
- delta_h 87.395 #kJ/mol
- # Enthalpy of formation: -733.235 #kJ/mol
- -analytic 1.84092E+0 0E+0 -4.56495E+3 0E+0 0E+0
-
-1.000Ba+2 + 1.000SO4-2 = Ba(SO4)
- log_k 2.700 #76SMI/MAR
- delta_h 7.367 #kJ/mol
- # Enthalpy of formation: -1436.773 #kJ/mol
- -analytic 3.99064E+0 0E+0 -3.84805E+2 0E+0 0E+0
-
-1.000Ba+2 + 1.000B(OH)4- = BaB(OH)4+
- log_k 1.490 #80BAS
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.49E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ba+2 + 1.000F- = BaF+
- log_k 0.400
- delta_h 6.697 #kJ/mol
- # Enthalpy of formation: -863.452 #kJ/mol #97SVE/SHO
- -analytic 1.57326E+0 0E+0 -3.49808E+2 0E+0 0E+0
-
-2.000H+ + 1.000CO3-2 - 1.000H2O - 0.500O2 = CO
- log_k -31.390
- delta_h 262.373 #kJ/mol
- # Enthalpy of formation: -120.96 #kJ/mol #82WAG/EVA
- -analytic 1.45757E+1 0E+0 -1.37047E+4 0E+0 0E+0
-
-2.000H+ + 1.000CO3-2 - 1.000H2O = CO2
- log_k 16.680
- delta_h -23.860 #kJ/mol
- # Enthalpy of formation: -413.26 #kJ/mol #89COX/WAG
- -analytic 1.24999E+1 0E+0 1.24629E+3 0E+0 0E+0
-
-1.000Ca+2 + 1.000Acetate- = Ca(Acetate)+
- log_k 1.120 #95DER/DIG
- delta_h -19.338 #kJ/mol
- # Enthalpy of formation: -1048.348 #kJ/mol
- -analytic -2.26787E+0 0E+0 1.01009E+3 0E+0 0E+0
-
-1.000Ca+2 + 1.000Adipate-2 = Ca(Adipate)
- log_k 2.190 #04MAR/SMI from 40TOP/DAV
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.19E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 - 3.000H+ + 1.000Am+3 + 3.000H2O = Ca(Am(OH)3)+2
- log_k -26.300 #07RAB/ALT
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 1.000AsO4-3 = Ca(AsO4)-
- log_k 5.770 #10MAR/ACC
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.77E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 1.000Cit-3 = Ca(Cit)-
- log_k 4.800 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -2062.92 #kJ/mol
- -analytic 4.8E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 - 3.000H+ + 1.000Cm+3 + 3.000H2O = Ca(Cm(OH)3)+2
- log_k -26.300 #07RAB/ALT
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 1.000Edta-4 = Ca(Edta)-2
- log_k 12.690 #05HUM/AND
- delta_h -22.200 #kJ/mol
- # Enthalpy of formation: -2270 #kJ/mol
- -analytic 8.80073E+0 0E+0 1.15959E+3 0E+0 0E+0
-
-1.000Ca+2 + 1.000Eu+3 - 3.000H+ + 3.000H2O = Ca(Eu(OH)3)+2
- log_k -26.300 #07RAB/ALT
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 2.000H+ + 1.000AsO4-3 = Ca(H2AsO4)+
- log_k 19.870 #10MAR/ACC
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.987E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 2.000H+ + 1.000Cit-3 = Ca(H2Cit)+
- log_k 12.670 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.267E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 1.000H2(PO4)- = Ca(H2PO4)+
- log_k 1.410 #68CHU/MAR
- delta_h 14.226 #kJ/mol #68CHU/MAR
- # Enthalpy of formation: -1831.374 #kJ/mol
- -analytic 3.90228E+0 0E+0 -7.43075E+2 0E+0 0E+0
-
-1.000Ca+2 - 1.000H+ + 1.000H4(SiO4) = Ca(H3SiO4)+
- log_k -8.830 #97SVE/SHO
- delta_h 31.633 #kJ/mol
- # Enthalpy of formation: -1972.561 #kJ/mol
- -analytic -3.28814E+0 0E+0 -1.6523E+3 0E+0 0E+0
-
-1.000Ca+2 + 1.000H+ + 1.000AsO4-3 = Ca(HAsO4)
- log_k 13.900 #10MAR/ACC
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.39E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 1.000H+ + 1.000CO3-2 = Ca(HCO3)+
- log_k 11.430 #96BOU1
- delta_h -23.597 #kJ/mol
- # Enthalpy of formation: -1241.827 #kJ/mol
- -analytic 7.29599E+0 0E+0 1.23256E+3 0E+0 0E+0
-
-1.000Ca+2 + 1.000H+ + 1.000Cit-3 = Ca(HCit)
- log_k 9.280 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.28E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 1.000H+ + 1.000Edta-4 = Ca(HEdta)-
- log_k 16.230 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.623E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 1.000HGlu- = Ca(HGlu)+
- log_k 1.730 #52SCH/LIN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.73E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 1.000HIsa- = Ca(HIsa)+
- log_k 1.700 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 1.000H+ + 1.000Malonate-2 = Ca(HMalonate)+
- log_k 6.640 #13GRI/CAM
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.64E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 1.000H+ + 1.000Nta-3 = Ca(HNta)
- log_k 13.400 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.34E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 2.000H+ + 2.000Nta-3 = Ca(HNta)2-2
- log_k 23.630 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.363E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 - 1.000H+ + 1.000H2(PO4)- = Ca(HPO4)
- log_k -4.470 #68CHU/MAR
- delta_h 17.407 #kJ/mol #68CHU/MAR
- # Enthalpy of formation: -1828.193 #kJ/mol
- -analytic -1.42043E+0 0E+0 -9.0923E+2 0E+0 0E+0
-
-1.000Ca+2 + 1.000H+ + 1.000Phthalat-2 = Ca(HPhthalat)+
- log_k 6.420 #85DAN/DER
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.42E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 1.000H+ + 1.000Pyrophos-4 = Ca(HPyrophos)-
- log_k 13.800 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.38E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 1.000H+ + 1.000Succinat-2 = Ca(HSuccinat)+
- log_k 6.790 #13GRI/CAM
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 - 3.000H+ + 1.000Ho+3 + 3.000H2O = Ca(Ho(OH)3)+2
- log_k -26.300 #07RAB/ALT
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 1.000IO3- = Ca(IO3)+
- log_k 0.400 #estimation NEA87 08/2/95
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 - 1.000H+ + 1.000HIsa- = Ca(Isa)
- log_k -10.400 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.04E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 1.000Malonate-2 = Ca(Malonate)
- log_k 2.430 #13GRI/CAM
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.43E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 1.000NH3 = Ca(NH3)+2
- log_k -0.100 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 2.000NH3 = Ca(NH3)2+2
- log_k -0.700 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -7E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 3.000NH3 = Ca(NH3)3+2
- log_k -1.500 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 4.000NH3 = Ca(NH3)4+2
- log_k -2.600 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.6E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 1.000Nta-3 = Ca(Nta)-
- log_k 7.730 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 7.73E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 - 1.000H+ + 1.000HGlu- + 1.000H2O = Ca(OH)(HGlu)
- log_k -10.400 #02TIT/WIE
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.04E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 - 1.000H+ + 1.000H2O = Ca(OH)+
- log_k -12.780 #87GAR/PAR
- delta_h 77.206 #kJ/mol
- # Enthalpy of formation: -751.624 #kJ/mol
- -analytic 7.45891E-1 0E+0 -4.03274E+3 0E+0 0E+0
-
-1.000Ca+2 + 1.000Ox-2 = Ca(Ox)
- log_k 3.190 #05HUM/AND
- delta_h 6.807 #kJ/mol
- # Enthalpy of formation: -1366.853 #kJ/mol
- -analytic 4.38253E+0 0E+0 -3.55554E+2 0E+0 0E+0
-
-1.000Ca+2 + 2.000Ox-2 = Ca(Ox)2-2
- log_k 4.020 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.02E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 - 2.000H+ + 1.000H2(PO4)- = Ca(PO4)-
- log_k -13.100 #68CHU/MAR
- delta_h 31.170 #kJ/mol
- # Enthalpy of formation: -1814.43 #kJ/mol
- -analytic -7.63926E+0 0E+0 -1.62812E+3 0E+0 0E+0
-
-1.000Ca+2 + 1.000Phthalat-2 = Ca(Phthalat)
- log_k 2.490 #85DAN/DER
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.49E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 1.000Pyrophos-4 = Ca(Pyrophos)-2
- log_k 7.500 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 7.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 1.000S2O3-2 = Ca(S2O3)
- log_k 1.900 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de Hatches3.0)
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -1191.5 #kJ/mol
- -analytic 1.9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 1.000SO4-2 = Ca(SO4)
- log_k 2.310 #53BEL/GEO
- delta_h 4.292 #kJ/mol
- # Enthalpy of formation: -1448.048 #kJ/mol
- -analytic 3.06193E+0 0E+0 -2.24186E+2 0E+0 0E+0
-
-1.000Ca+2 + 1.000SeO4-2 = Ca(SeO4)
- log_k 2.000 #05OLI/NOL
- delta_h 1.475 #kJ/mol
- # Enthalpy of formation: -1145.025 #kJ/mol
- -analytic 2.25841E+0 0E+0 -7.70445E+1 0E+0 0E+0
-
-1.000Ca+2 + 1.000Sm+3 - 3.000H+ + 3.000H2O = Ca(Sm(OH)3)+2
- log_k -26.300 #07RAB/ALT
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 1.000Succinat-2 = Ca(Succinat)
- log_k 2.340 #13GRI/CAM
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.34E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000Ca+2 - 4.000H+ + 1.000Am+3 + 4.000H2O = Ca2(Am(OH)4)+3
- log_k -37.200 #07RAB/ALT
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000Ca+2 - 4.000H+ + 1.000Cm+3 + 4.000H2O = Ca2(Cm(OH)4)+3
- log_k -37.200 #07RAB/ALT
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000Ca+2 + 1.000Eu+3 - 4.000H+ + 4.000H2O = Ca2(Eu(OH)4)+3
- log_k -37.200 #07RAB/ALT
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000Ca+2 - 4.000H+ + 1.000Ho+3 + 4.000H2O = Ca2(Ho(OH)4)+3
- log_k -37.200 #07RAB/ALT
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000Ca+2 + 1.000Sm+3 - 4.000H+ + 4.000H2O = Ca2(Sm(OH)4)+3
- log_k -37.200 #07RAB/ALT
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000Ca+2 + 3.000CO3-2 + 1.000UO2+2 = Ca2UO2(CO3)3
- log_k 30.700 #06DON/BRO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.07E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000Ca+2 - 6.000H+ + 1.000Am+3 + 6.000H2O = Ca3(Am(OH)6)+3
- log_k -60.700 #07RAB/ALT
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000Ca+2 - 6.000H+ + 1.000Cm+3 + 6.000H2O = Ca3(Cm(OH)6)+3
- log_k -60.700 #07RAB/ALT
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000Ca+2 + 1.000Eu+3 - 6.000H+ + 6.000H2O = Ca3(Eu(OH)6)+3
- log_k -60.700 #07RAB/ALT
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000Ca+2 - 6.000H+ + 1.000Ho+3 + 6.000H2O = Ca3(Ho(OH)6)+3
- log_k -60.700 #07RAB/ALT
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000Ca+2 + 1.000Sm+3 - 6.000H+ + 6.000H2O = Ca3(Sm(OH)6)+3
- log_k -60.700 #07RAB/ALT
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0
-
-4.000Ca+2 + 1.000Th+4 - 8.000H+ + 8.000H2O = Ca4Th(OH)8+4
- log_k -63.100 #08ALT/NEC
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -6.31E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 1.000B(OH)4- = CaB(OH)4+
- log_k 1.800 #97CRO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.8E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 1.000CO3-2 = CaCO3
- log_k 3.220 #96BOU1
- delta_h 14.830 #kJ/mol
- # Enthalpy of formation: -1203.4 #kJ/mol #96BOU1
- -analytic 5.8181E+0 0E+0 -7.74624E+2 0E+0 0E+0
-
-1.000Ca+2 + 1.000CrO4-2 = CaCrO4
- log_k 2.770 #00PER/PAL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.77E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 1.000F- = CaF+
- log_k 0.940 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; S¿lection de donn¿es thermodynamiques aff¿rentes aux corrections de Temp¿rature sur les principaux ¿quilibres chimiques en milieu naturel
- delta_h 17.238 #kJ/mol
- # Enthalpy of formation: -861.112 #kJ/mol
- -analytic 3.95996E+0 0E+0 -9.00402E+2 0E+0 0E+0
-
-1.000Ca+2 + 1.000I- = CaI+
- log_k 0.140 #estimation NEA87 08/2/95
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.4E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 2.000I- = CaI2
- log_k -0.020 #estimation NEA87 08/2/95
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2E-2 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 1.000Th+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = CaTh(OH)4(HGlu)+
- log_k -9.000 #13COL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 1.000Th+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = CaTh(OH)4(HIsa)+
- log_k -9.000 #13COL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2 + 1.000UO2+2 + 3.000CO3-2 = CaUO2(CO3)3-2
- log_k 27.180 #06DON/BRO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.718E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2 + 1.000CO3-2 = Cd(CO3)
- log_k 4.700 #91RAI/FEL1
- delta_h 4.299 #kJ/mol
- # Enthalpy of formation: -746.851 #kJ/mol
- -analytic 5.45315E+0 0E+0 -2.24552E+2 0E+0 0E+0
-
-1.000Cd+2 + 2.000CO3-2 = Cd(CO3)2-2
- log_k 6.500 #91RAI/FEL1
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2 + 1.000Cn- = Cd(Cn)+
- log_k 5.300
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2 + 2.000Cn- = Cd(Cn)2
- log_k 10.340
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.034E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2 + 3.000Cn- = Cd(Cn)3-
- log_k 14.810
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.481E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2 + 4.000Cn- = Cd(Cn)4-2
- log_k 18.250
- delta_h -98.480 #kJ/mol
- # Enthalpy of formation: 428.096 #kJ/mol
- -analytic 9.9707E-1 0E+0 5.14396E+3 0E+0 0E+0
-
-1.000Cd+2 + 1.000H2(PO4)- = Cd(H2PO4)+
- log_k 1.800 #01AYA/MAD
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.8E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2 + 1.000H+ + 1.000CO3-2 = Cd(HCO3)+
- log_k 11.830 #93STI/PAR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.183E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2 + 2.000HS- = Cd(HS)2
- log_k 14.430 #99WAN/TES
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.443E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2 + 1.000NH3 = Cd(NH3)+2
- log_k 2.520
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.52E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2 + 2.000NH3 = Cd(NH3)2+2
- log_k 4.870
- delta_h -27.965 #kJ/mol
- # Enthalpy of formation: -266.225 #kJ/mol
- -analytic -2.92505E-2 0E+0 1.46071E+3 0E+0 0E+0
-
-1.000Cd+2 + 3.000NH3 = Cd(NH3)3+2
- log_k 5.930
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.93E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2 + 4.000NH3 = Cd(NH3)4+2
- log_k 7.300
- delta_h -49.714 #kJ/mol
- # Enthalpy of formation: -450.314 #kJ/mol
- -analytic -1.40951E+0 0E+0 2.59674E+3 0E+0 0E+0
-
-1.000Cd+2 + 1.000NO3- = Cd(NO3)+
- log_k 0.460 #74FED/ROB in 82H¿G
- delta_h -21.757 #kJ/mol #74NAU/RYZ in 91BAL/NOR
- # Enthalpy of formation: -304.527 #kJ/mol
- -analytic -3.35166E+0 0E+0 1.13645E+3 0E+0 0E+0
-
-1.000Cd+2 + 2.000NO3- = Cd(NO3)2
- log_k 0.170 #97CRO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.7E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2 - 1.000H+ + 1.000H2O = Cd(OH)+
- log_k -10.080 #81BAE/MES
- delta_h 54.810 #kJ/mol #81BAE/MES
- # Enthalpy of formation: -306.94 #kJ/mol
- -analytic -4.77714E-1 0E+0 -2.86292E+3 0E+0 0E+0
-
-1.000Cd+2 - 2.000H+ + 2.000H2O = Cd(OH)2
- log_k -20.900 #91RAI/FEL1
- delta_h 114.900 #kJ/mol
- # Enthalpy of formation: -532.68 #kJ/mol
- -analytic -7.70414E-1 0E+0 -6.00164E+3 0E+0 0E+0
-
-1.000Cd+2 - 3.000H+ + 3.000H2O = Cd(OH)3-
- log_k -33.300 #81BAE/MES
- delta_h 156.416 #kJ/mol
- # Enthalpy of formation: -776.994 #kJ/mol
- -analytic -5.89713E+0 0E+0 -8.17016E+3 0E+0 0E+0
-
-1.000Cd+2 - 4.000H+ + 4.000H2O = Cd(OH)4-2
- log_k -47.480 #91RAI/FEL1
- delta_h 229.571 #kJ/mol
- # Enthalpy of formation: -989.669 #kJ/mol
- -analytic -7.26095E+0 0E+0 -1.19913E+4 0E+0 0E+0
-
-1.000Cd+2 + 1.000Pyrophos-4 = Cd(Pyrophos)-2
- log_k 8.700 #92CLE/DER
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2 + 1.000S2O3-2 = Cd(S2O3)
- log_k 2.460
- delta_h 5.405 #kJ/mol
- # Enthalpy of formation: -722.801 #kJ/mol #74NAU/RYZ
- -analytic 3.40691E+0 0E+0 -2.82322E+2 0E+0 0E+0
-
-1.000Cd+2 + 1.000SO4-2 = Cd(SO4)
- log_k 2.370 #97MAR/SMI
- delta_h 8.700 #kJ/mol #97MAR/SMI
- # Enthalpy of formation: -976.56 #kJ/mol
- -analytic 3.89417E+0 0E+0 -4.54432E+2 0E+0 0E+0
-
-1.000Cd+2 + 2.000SO4-2 = Cd(SO4)2-2
- log_k 3.440 #76SMI/MAR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.44E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2 + 1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 = Cd(SeCn)+
- log_k 58.260
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.826E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2 + 2.000H+ + 2.000Cn- + 2.000HSe- - 2.000H2O + 1.000O2 = Cd(SeCn)2
- log_k 115.370
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.1537E+2 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2 + 3.000H+ + 3.000Cn- + 3.000HSe- - 3.000H2O + 1.500O2 = Cd(SeCn)3-
- log_k 171.860
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.7186E+2 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2 + 4.000H+ + 4.000Cn- + 4.000HSe- - 4.000H2O + 2.000O2 = Cd(SeCn)4-2
- log_k 228.670
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.2867E+2 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2 + 1.000SeO4-2 = Cd(SeO4)
- log_k 2.270 #05OLI/NOL
- delta_h 8.300 #kJ/mol #05OLI/NOL
- # Enthalpy of formation: -671.12 #kJ/mol
- -analytic 3.7241E+0 0E+0 -4.33539E+2 0E+0 0E+0
-
-4.000Cd+2 - 4.000H+ + 4.000H2O = Cd4(OH)4+4
- log_k -32.070
- delta_h 172.135 #kJ/mol
- # Enthalpy of formation: -1274.865 #kJ/mol #99YUN/GLU
- -analytic -1.91329E+0 0E+0 -8.99122E+3 0E+0 0E+0
-
-1.000Cd+2 + 1.000Br- = CdBr+
- log_k 2.160
- delta_h -7.959 #kJ/mol
- # Enthalpy of formation: -205.289 #kJ/mol
- -analytic 7.65645E-1 0E+0 4.15727E+2 0E+0 0E+0
-
-1.000Cd+2 + 2.000Br- = CdBr2
- log_k 2.920
- delta_h -15.742 #kJ/mol
- # Enthalpy of formation: -334.482 #kJ/mol
- -analytic 1.62124E-1 0E+0 8.22261E+2 0E+0 0E+0
-
-1.000Cd+2 + 3.000Br- = CdBr3-
- log_k 3.190
- delta_h -28.845 #kJ/mol
- # Enthalpy of formation: -468.995 #kJ/mol
- -analytic -1.86342E+0 0E+0 1.50668E+3 0E+0 0E+0
-
-1.000Cd+2 + 1.000Cl- = CdCl+
- log_k 1.970 #76BAE/MES
- delta_h -5.520 #kJ/mol
- # Enthalpy of formation: -248.52 #kJ/mol
- -analytic 1.00294E+0 0E+0 2.88329E+2 0E+0 0E+0
-
-1.000Cd+2 + 2.000Cl- = CdCl2
- log_k 2.590 #76BAE/MES
- delta_h -14.068 #kJ/mol
- # Enthalpy of formation: -424.148 #kJ/mol
- -analytic 1.25396E-1 0E+0 7.34822E+2 0E+0 0E+0
-
-1.000Cd+2 + 3.000Cl- = CdCl3-
- log_k 2.400 #76BAE/MES
- delta_h -25.804 #kJ/mol
- # Enthalpy of formation: -602.964 #kJ/mol
- -analytic -2.12066E+0 0E+0 1.34783E+3 0E+0 0E+0
-
-1.000Cd+2 + 4.000Cl- = CdCl4-2
- log_k 1.470 #76BAE/MES
- delta_h -44.765 #kJ/mol
- # Enthalpy of formation: -789.005 #kJ/mol
- -analytic -6.37248E+0 0E+0 2.33824E+3 0E+0 0E+0
-
-1.000Cd+2 - 1.000H+ + 1.000H2(PO4)- = CdHPO4
- log_k -2.380 #01AYA/MAD
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.38E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2 + 1.000HS- = CdHS+
- log_k 7.380 #99WAN/TES
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 7.38E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2 + 1.000I- = CdI+
- log_k 2.090
- delta_h -8.739 #kJ/mol
- # Enthalpy of formation: -141.439 #kJ/mol
- -analytic 5.58995E-1 0E+0 4.56469E+2 0E+0 0E+0
-
-1.000Cd+2 + 2.000I- = CdI2
- log_k 3.520
- delta_h -18.988 #kJ/mol
- # Enthalpy of formation: -208.468 #kJ/mol
- -analytic 1.9345E-1 0E+0 9.91811E+2 0E+0 0E+0
-
-1.000Cd+2 + 3.000I- = CdI3-
- log_k 4.640
- delta_h -38.647 #kJ/mol
- # Enthalpy of formation: -284.907 #kJ/mol
- -analytic -2.13065E+0 0E+0 2.01867E+3 0E+0 0E+0
-
-1.000Cd+2 + 4.000I- = CdI4-2
- log_k 5.480
- delta_h -75.609 #kJ/mol
- # Enthalpy of formation: -378.649 #kJ/mol
- -analytic -7.76611E+0 0E+0 3.94933E+3 0E+0 0E+0
-
-2.000Cl- - 1.000H2O + 2.000H+ + 0.500O2 = Cl2
- log_k -4.220
- delta_h 30.997 #kJ/mol
- # Enthalpy of formation: -23.4 #kJ/mol #82WAG/EVA
- -analytic 1.21043E+0 0E+0 -1.61908E+3 0E+0 0E+0
-
-1.000Cl- + 2.000O2 = ClO4-
- log_k -16.130
- delta_h 63.248 #kJ/mol
- # Enthalpy of formation: -128.1 #kJ/mol #89COX/WAG
- -analytic -5.04944E+0 0E+0 -3.30367E+3 0E+0 0E+0
-
-1.000Cm+3 + 1.000Acetate- = Cm(Acetate)+2
- log_k 3.010 #11RIC/GRI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.01E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cm+3 + 2.000Acetate- = Cm(Acetate)2+
- log_k 4.960 #12GRI/GAR2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.96E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cm+3 + 3.000Acetate- = Cm(Acetate)3
- log_k 6.300 #69MOS
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.3E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000CO3-2 + 1.000Cm+3 = Cm(CO3)2-
- log_k 12.600 #06DUR/CER
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.26E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000CO3-2 + 1.000Cm+3 = Cm(CO3)3-3
- log_k 14.600 #06DUR/CER
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.46E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000H2(PO4)- + 1.000Cm+3 = Cm(H2PO4)+2
- log_k 2.400 #estimated by correlation with Ln(III)
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.4E+0 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+ + 1.000H2(PO4)- + 1.000Cm+3 = Cm(HPO4)+
- log_k -1.700 #estimated by correlation with Ln(III)
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.7E+0 0E+0 0E+0 0E+0 0E+0
-
-- 2.000H+ + 2.000H2(PO4)- + 1.000Cm+3 = Cm(HPO4)2-
- log_k -5.210 #estimated by correlation with Ln(III)
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -5.21E+0 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+ + 1.000Cm+3 + 1.000H2O = Cm(OH)+2
- log_k -7.200 #03GUI/FAN
- delta_h 79.365 #kJ/mol
- # Enthalpy of formation: -821.465 #kJ/mol
- -analytic 6.70413E+0 0E+0 -4.14552E+3 0E+0 0E+0
-
-- 2.000H+ + 1.000Cm+3 + 2.000H2O = Cm(OH)2+
- log_k -15.100 #03GUI/FAN
- delta_h 144.956 #kJ/mol
- # Enthalpy of formation: -1041.704 #kJ/mol
- -analytic 1.02952E+1 0E+0 -7.57157E+3 0E+0 0E+0
-
-- 3.000H+ + 1.000Cm+3 + 3.000H2O = Cm(OH)3
- log_k -26.200 #03GUI/FAN
- delta_h 231.675 #kJ/mol
- # Enthalpy of formation: -1240.815 #kJ/mol
- -analytic 1.43877E+1 0E+0 -1.21012E+4 0E+0 0E+0
-
-- 4.000H+ + 1.000Cm+3 + 4.000H2O = Cm(OH)4-
- log_k -40.700 #07NEC/ALT2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.07E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ox-2 + 1.000Cm+3 = Cm(Ox)+
- log_k 6.480 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.48E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000Ox-2 + 1.000Cm+3 = Cm(Ox)2-
- log_k 10.400 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.04E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000Ox-2 + 1.000Cm+3 = Cm(Ox)3-3
- log_k 12.840 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.284E+1 0E+0 0E+0 0E+0 0E+0
-
-- 4.000H+ + 2.000H2(PO4)- + 1.000Cm+3 = Cm(PO4)2-3
- log_k -19.230 #estimated by corrlation with Ln(III)
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.923E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Cm+3 + 1.000Phthalat-2 = Cm(Phthalat)+
- log_k 4.930 #11GRI/COL3 from 95PAN/KLE
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.93E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000SO4-2 + 1.000Cm+3 = Cm(SO4)2-
- log_k 4.570 #12SKE/PAN, same as Am, revised in the 2012 update.
- delta_h 20.880 #kJ/mol
- # Enthalpy of formation: -2412.8 #kJ/mol #estimated by analogy with Ln
- -analytic 8.22801E+0 0E+0 -1.09064E+3 0E+0 0E+0
-
-1.000CO3-2 + 1.000Cm+3 = CmCO3+
- log_k 7.900 #06DUR/CER
- delta_h 153.982 #kJ/mol
- # Enthalpy of formation: -1136.248 #kJ/mol
- -analytic 3.48764E+1 0E+0 -8.04303E+3 0E+0 0E+0
-
-1.000Cl- + 1.000Cm+3 = CmCl+2
- log_k 0.240 #03GUI/FAN, same as Am
- delta_h 22.512 #kJ/mol
- # Enthalpy of formation: -759.568 #kJ/mol
- -analytic 4.18393E+0 0E+0 -1.17588E+3 0E+0 0E+0
-
-2.000Cl- + 1.000Cm+3 = CmCl2+
- log_k -0.740 #03GUI/FAN, same as Am
- delta_h 41.165 #kJ/mol
- # Enthalpy of formation: -907.995 #kJ/mol
- -analytic 6.47179E+0 0E+0 -2.15019E+3 0E+0 0E+0
-
-1.000F- + 1.000Cm+3 = CmF+2
- log_k 3.400 #03GUI/FAN, same as Am
- delta_h 25.613 #kJ/mol
- # Enthalpy of formation: -924.737 #kJ/mol
- -analytic 7.8872E+0 0E+0 -1.33786E+3 0E+0 0E+0
-
-2.000F- + 1.000Cm+3 = CmF2+
- log_k 5.800 #03GUI/FAN, same as Am
- delta_h 20.620 #kJ/mol
- # Enthalpy of formation: -1265.08 #kJ/mol
- -analytic 9.41246E+0 0E+0 -1.07706E+3 0E+0 0E+0
-
-3.000F- + 1.000Cm+3 = CmF3
- log_k 11.180 #69AZI/LYL
- delta_h -15.485 #kJ/mol
- # Enthalpy of formation: -1636.535 #kJ/mol
- -analytic 8.46715E+0 0E+0 8.08837E+2 0E+0 0E+0
-
-1.000H+ + 1.000CO3-2 + 1.000Cm+3 = CmHCO3+2
- log_k 13.430 #03GUI/FAN, same as Am
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.343E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000NO3- + 1.000Cm+3 = CmNO3+2
- log_k 1.330 #95SIL/BID
- delta_h 1.800 #kJ/mol #09SKE/PAN
- # Enthalpy of formation: -819.926 #kJ/mol
- -analytic 1.64535E+0 0E+0 -9.40204E+1 0E+0 0E+0
-
-- 2.000H+ + 1.000H2(PO4)- + 1.000Cm+3 = CmPO4
- log_k -7.660 #estimated by correlation with Ln(III)
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -7.66E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000SO4-2 + 1.000Cm+3 = CmSO4+
- log_k 3.450 #12SKE/PAN, same as Am, revised in the 2012 update.
- delta_h 15.640 #kJ/mol
- # Enthalpy of formation: -1508.7 #kJ/mol #estimated by analogy with Ln
- -analytic 6.19001E+0 0E+0 -8.16933E+2 0E+0 0E+0
-
-- 1.000H+ + 1.000H4(SiO4) + 1.000Cm+3 = CmSiO(OH)3+2
- log_k -2.310 #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.31E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Co+2 + 2.000HS- = Co(HS)2
- log_k 8.770 #66KHO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.77E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Co+2 - 1.000H+ + 1.000H2O = Co(OH)+
- log_k -9.230 #98PLY/ZHA1
- delta_h 45.962 #kJ/mol
- # Enthalpy of formation: -297.468 #kJ/mol
- -analytic -1.17782E+0 0E+0 -2.40076E+3 0E+0 0E+0
-
-1.000Co+2 - 2.000H+ + 2.000H2O = Co(OH)2
- log_k -18.600 #98PLY/ZHA1
- delta_h 105.707 #kJ/mol
- # Enthalpy of formation: -523.553 #kJ/mol
- -analytic -8.09557E-2 0E+0 -5.52145E+3 0E+0 0E+0
-
-1.000Co+2 - 3.000H+ + 3.000H2O = Co(OH)3-
- log_k -31.700 #98PLY/ZHA1
- delta_h 160.297 #kJ/mol
- # Enthalpy of formation: -754.792 #kJ/mol
- -analytic -3.61721E+0 0E+0 -8.37288E+3 0E+0 0E+0
-
-1.000Co+2 - 4.000H+ + 4.000H2O = Co(OH)4-2
- log_k -46.420 #98PLY/ZHA1
- delta_h 214.483 #kJ/mol
- # Enthalpy of formation: -986.436 #kJ/mol
- -analytic -8.84425E+0 0E+0 -1.12032E+4 0E+0 0E+0
-
-1.000Co+2 + 1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 = Co(SeCn)+
- log_k 57.520 #75SAT/SAH
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.752E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Co+2 + 1.000SeO4-2 = Co(SeO4)
- log_k 2.700 #05OLI/NOL
- delta_h -3.654 #kJ/mol
- # Enthalpy of formation: -664.754 #kJ/mol
- -analytic 2.05985E+0 0E+0 1.90861E+2 0E+0 0E+0
-
-2.000Co+2 - 1.000H+ + 1.000H2O = Co2(OH)+3
- log_k -9.830 #98PLY/ZHA1
- delta_h 30.030 #kJ/mol
- # Enthalpy of formation: -371 #kJ/mol #98PLY/ZHA1
- -analytic -4.56898E+0 0E+0 -1.56857E+3 0E+0 0E+0
-
-4.000Co+2 - 4.000H+ + 4.000H2O = Co4(OH)4+4
- log_k -29.880 #98PLY/ZHA1
- delta_h 149.720 #kJ/mol
- # Enthalpy of formation: -1224 #kJ/mol #98PLY/ZHA1
- -analytic -3.65022E+0 0E+0 -7.82041E+3 0E+0 0E+0
-
-1.000Co+2 + 1.000CO3-2 = CoCO3
- log_k 4.230 #97MAR/SMI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.23E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Co+2 + 1.000Cl- = CoCl+
- log_k 0.570 #81TUR/WHI
- delta_h -2.180 #kJ/mol
- # Enthalpy of formation: -226.859 #kJ/mol
- -analytic 1.88081E-1 0E+0 1.13869E+2 0E+0 0E+0
-
-1.000Co+2 + 2.000Cl- = CoCl2
- log_k 0.020 #06BLA/IGN
- delta_h 4.074 #kJ/mol #06BLA/IGN
- # Enthalpy of formation: -387.686 #kJ/mol
- -analytic 7.33733E-1 0E+0 -2.128E+2 0E+0 0E+0
-
-1.000Co+2 + 3.000Cl- = CoCl3-
- log_k -1.710 #06BLA/IGN
- delta_h 6.688 #kJ/mol #06BLA/IGN
- # Enthalpy of formation: -552.152 #kJ/mol
- -analytic -5.38314E-1 0E+0 -3.49338E+2 0E+0 0E+0
-
-1.000Co+2 + 4.000Cl- = CoCl4-2
- log_k -2.090 #06BLA/IGN
- delta_h 22.570 #kJ/mol #06BLA/IGN
- # Enthalpy of formation: -703.35 #kJ/mol
- -analytic 1.86409E+0 0E+0 -1.17891E+3 0E+0 0E+0
-
-1.000Co+2 + 1.000F- = CoF+
- log_k 1.500 #97MAR/SMI
- delta_h -0.631 #kJ/mol
- # Enthalpy of formation: -393.581 #kJ/mol
- -analytic 1.38945E+0 0E+0 3.29594E+1 0E+0 0E+0
-
-1.000Co+2 + 1.000H+ + 1.000CO3-2 = CoHCO3+
- log_k 12.220 #97MAR/SMI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.222E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Co+2 - 1.000H+ + 1.000H2(PO4)- = CoHPO4
- log_k -4.150 #97MAR/SMI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.15E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Co+2 + 1.000HS- = CoHS+
- log_k 5.670 #66KHO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.67E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Co+2 + 1.000S2O3-2 = CoS2O3
- log_k 2.050 #51DEN/MON
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.05E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Co+2 + 1.000SO4-2 = CoSO4
- log_k 2.300 #97MAR/SMI
- delta_h 2.092 #kJ/mol #74NAU/RYZ
- # Enthalpy of formation: -964.848 #kJ/mol
- -analytic 2.6665E+0 0E+0 -1.09273E+2 0E+0 0E+0
-
-1.000H2(PO4)- + 1.000Cr+3 = Cr(H2PO4)+2
- log_k 2.560 #66LAH/ADI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.56E+0 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+ + 1.000H2(PO4)- + 1.000Cr+3 = Cr(HPO4)+
- log_k 2.250 #76ALE/MAS
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.25E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cr+3 + 2.000CO3-2 + 1.000H2O - 1.000H+ = Cr(OH)(CO3)2-2
- log_k 9.730 #07RAI/MOO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.73E+0 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+ + 1.000Cr+2 + 1.000H2O = Cr(OH)+
- log_k -5.300 #83MIC/DEB, 04CHI
- delta_h 30.327 #kJ/mol
- # Enthalpy of formation: -413.123 #kJ/mol
- -analytic 1.30545E-2 0E+0 -1.58409E+3 0E+0 0E+0
-
-- 1.000H+ + 1.000Cr+3 + 1.000H2O = Cr(OH)+2
- log_k -3.420 #04RAI/MOO
- delta_h 37.165 #kJ/mol
- # Enthalpy of formation: -489.164 #kJ/mol
- -analytic 3.09102E+0 0E+0 -1.94126E+3 0E+0 0E+0
-
-- 2.000H+ + 1.000Cr+3 + 2.000H2O = Cr(OH)2+
- log_k -8.900 #11GRI/COL4
- delta_h 93.201 #kJ/mol
- # Enthalpy of formation: -718.958 #kJ/mol
- -analytic 7.42809E+0 0E+0 -4.86822E+3 0E+0 0E+0
-
-- 3.000H+ + 1.000Cr+3 + 3.000H2O = Cr(OH)3
- log_k -14.340 #04RAI/MOO
- delta_h 143.689 #kJ/mol
- # Enthalpy of formation: -954.3 #kJ/mol
- -analytic 1.08332E+1 0E+0 -7.50539E+3 0E+0 0E+0
-
-- 3.000H+ + 1.000H2(PO4)- + 1.000Cr+3 + 3.000H2O = Cr(OH)3(H2PO4)-
- log_k -11.560 #04RAI/MOO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.156E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000H2(PO4)- + 1.000Cr+3 + 3.000H2O - 3.000H+ = Cr(OH)3(H2PO4)2-2
- log_k -10.860 #04RAI/MOO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.086E+1 0E+0 0E+0 0E+0 0E+0
-
-- 4.000H+ + 1.000H2(PO4)- + 1.000Cr+3 + 3.000H2O = Cr(OH)3(HPO4)-2
- log_k -19.580 #04RAI/MOO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.958E+1 0E+0 0E+0 0E+0 0E+0
-
-- 5.000H+ + 1.000H2(PO4)- + 1.000Cr+3 + 3.000H2O = Cr(OH)3(PO4)-3
- log_k -30.240 #98ZIE/JON
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.024E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Cr+3 + 1.000CO3-2 + 4.000H2O - 4.000H+ = Cr(OH)4(CO3)-3
- log_k -25.690 #07RAI/MOO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.569E+1 0E+0 0E+0 0E+0 0E+0
-
-- 5.000H+ + 2.000H2(PO4)- + 1.000Cr+3 + 4.000H2O = Cr(OH)4(HPO4)(H2PO4)-4
- log_k -28.760 #98ZIE/JON
- delta_h 14.000 #kJ/mol #98ZIE/JON
- # Enthalpy of formation: -3975.04 #kJ/mol
- -analytic -2.63073E+1 0E+0 -7.3127E+2 0E+0 0E+0
-
-- 4.000H+ + 1.000Cr+3 + 4.000H2O = Cr(OH)4-
- log_k -25.860 #04RAI/MOO
- delta_h 193.604 #kJ/mol
- # Enthalpy of formation: -1190.214 #kJ/mol
- -analytic 8.05792E+0 0E+0 -1.01126E+4 0E+0 0E+0
-
-1.000Cr+3 + 1.000CO3-2 + 1.000H2O - 1.000H+ = Cr(OH)CO3
- log_k 4.000 #07RAI/MOO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4E+0 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+ + 2.000Cl- + 1.000Cr+3 + 1.000H2O = Cr(OH)Cl2
- log_k -5.730
- delta_h 32.720 #kJ/mol
- # Enthalpy of formation: -827.77 #kJ/mol #76DEL/HEP
- -analytic 2.28952E-3 0E+0 -1.70908E+3 0E+0 0E+0
-
-- 2.000H+ + 2.000Cr+3 + 2.000H2O = Cr2(OH)2+4
- log_k -4.000 #11GRI/COL4
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000H+ + 2.000CrO4-2 - 1.000H2O = Cr2O7-2
- log_k 14.750 #87PAL/WES, 04CHI
- delta_h -3.752 #kJ/mol
- # Enthalpy of formation: -1475.923 #kJ/mol
- -analytic 1.40927E+1 0E+0 1.9598E+2 0E+0 0E+0
-
-- 4.000H+ + 3.000Cr+3 + 4.000H2O = Cr3(OH)4+5
- log_k -7.600 #11GRI/COL4
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -7.6E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Br- + 1.000Cr+3 = CrBr+2
- log_k -0.620
- delta_h 22.600 #kJ/mol
- # Enthalpy of formation: -339.322 #kJ/mol #76DEL/HEP
- -analytic 3.33934E+0 0E+0 -1.18048E+3 0E+0 0E+0
-
-1.000Cl- + 1.000Cr+2 = CrCl+
- log_k 5.600 #91ALL/BRO
- delta_h -20.200 #kJ/mol #91ALL/BRO
- # Enthalpy of formation: -344.9 #kJ/mol
- -analytic 2.06112E+0 0E+0 1.05512E+3 0E+0 0E+0
-
-1.000Cl- + 1.000Cr+3 = CrCl+2
- log_k 0.620 #64SIL/MAR
- delta_h 20.920 #kJ/mol #64SIL/MAR
- # Enthalpy of formation: -386.66 #kJ/mol
- -analytic 4.28502E+0 0E+0 -1.09273E+3 0E+0 0E+0
-
-2.000Cl- + 1.000Cr+3 = CrCl2+
- log_k -0.710 #64SIL/MAR
- delta_h 20.920 #kJ/mol #64SIL/MAR
- # Enthalpy of formation: -553.74 #kJ/mol
- -analytic 2.95502E+0 0E+0 -1.09273E+3 0E+0 0E+0
-
-1.000F- + 1.000Cr+3 = CrF+2
- log_k 5.210 #81TUR/WHI
- delta_h -2.510 #kJ/mol #53HEP/JOL
- # Enthalpy of formation: -578.36 #kJ/mol
- -analytic 4.77027E+0 0E+0 1.31106E+2 0E+0 0E+0
-
-2.000F- + 1.000Cr+3 = CrF2+
- log_k 9.310 #81TUR/WHI
- delta_h -0.418 #kJ/mol #53HEP/JOL
- # Enthalpy of formation: -911.618 #kJ/mol
- -analytic 9.23677E+0 0E+0 2.18336E+1 0E+0 0E+0
-
-3.000F- + 1.000Cr+3 = CrF3
- log_k 11.910 #81TUR/WHI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.191E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000H+ + 1.000Cl- + 1.000CrO4-2 - 1.000H2O = CrO3Cl-
- log_k 8.080
- delta_h 5.500 #kJ/mol
- # Enthalpy of formation: -754.8 #kJ/mol #76DEL/HEP
- -analytic 9.04356E+0 0E+0 -2.87285E+2 0E+0 0E+0
-
-1.000SO4-2 + 1.000Cr+3 = CrSO4+
- log_k 4.610 #81TUR/WHI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.61E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cs+ + 1.000Cit-3 = Cs(Cit)-2
- log_k 0.980 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.8E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Cs+ + 1.000Edta-4 = Cs(Edta)-3
- log_k 1.300 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cs+ + 1.000Nta-3 = Cs(Nta)-2
- log_k 0.850 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.5E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Cs+ - 1.000H+ + 1.000H2O = Cs(OH)
- log_k -15.640
- delta_h 65.736 #kJ/mol
- # Enthalpy of formation: -478.094 #kJ/mol #97SHO/SAS2
- -analytic -4.12356E+0 0E+0 -3.43363E+3 0E+0 0E+0
-
-1.000Cs+ + 1.000Br- = CsBr
- log_k 0.090
- delta_h 5.922 #kJ/mol
- # Enthalpy of formation: -373.488 #kJ/mol
- -analytic 1.12749E+0 0E+0 -3.09327E+2 0E+0 0E+0
-
-1.000Cs+ + 1.000Cl- = CsCl
- log_k -0.090
- delta_h 7.523 #kJ/mol
- # Enthalpy of formation: -417.557 #kJ/mol
- -analytic 1.22797E+0 0E+0 -3.92953E+2 0E+0 0E+0
-
-1.000Cs+ + 1.000F- = CsF
- log_k -0.380
- delta_h 2.446 #kJ/mol
- # Enthalpy of formation: -590.904 #kJ/mol
- -analytic 4.85202E-2 0E+0 -1.27763E+2 0E+0 0E+0
-
-1.000Cs+ + 1.000I- = CsI
- log_k 1.050
- delta_h -0.055 #kJ/mol
- # Enthalpy of formation: -314.835 #kJ/mol
- -analytic 1.04036E+0 0E+0 2.87285E+0 0E+0 0E+0
-
-1.000Cu+2 + 1.000B(OH)4- = Cu(B(OH)4)+
- log_k 7.130 #80BAS
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 7.13E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cu+2 + 2.000B(OH)4- = Cu(B(OH)4)2
- log_k 12.450 #80BAS
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.245E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Cu+2 + 3.000B(OH)4- = Cu(B(OH)4)3-
- log_k 15.170 #80BAS
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.517E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Cu+2 + 1.000SeO4-2 = Cu(SeO4)
- log_k 2.200 #Upper value suggested in 05OLI/NOL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.2E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3 + 1.000Acetate- = Eu(Acetate)+2
- log_k 2.900 #12GRI/GAR2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3 + 2.000Acetate- = Eu(Acetate)2+
- log_k 4.800 #12GRI/GAR2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.8E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3 + 3.000Acetate- = Eu(Acetate)3
- log_k 5.600 #12GRI/GAR2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.6E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3 + 1.000CO3-2 = Eu(CO3)+
- log_k 7.900 #95SPA/BRU
- delta_h 167.549 #kJ/mol
- # Enthalpy of formation: -1113.013 #kJ/mol
- -analytic 3.72533E+1 0E+0 -8.75168E+3 0E+0 0E+0
-
-1.000Eu+3 + 2.000CO3-2 = Eu(CO3)2-
- log_k 12.900 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3 + 3.000CO3-2 = Eu(CO3)3-3
- log_k 14.800 #05VER/VIT2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.48E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3 + 1.000H2(PO4)- = Eu(H2PO4)+2
- log_k 2.400 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.4E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3 + 1.000H+ + 1.000CO3-2 = Eu(HCO3)+2
- log_k 12.430 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.243E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3 - 1.000H+ + 1.000H2(PO4)- = Eu(HPO4)+
- log_k -1.510 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.51E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3 - 2.000H+ + 2.000H2(PO4)- = Eu(HPO4)2-
- log_k -4.820 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.82E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3 + 1.000Malonate-2 = Eu(Malonate)+
- log_k 5.430 #13GRI/CAM
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.43E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3 + 2.000Malonate-2 = Eu(Malonate)2-
- log_k 7.780 #13GRI/CAM
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 7.78E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3 + 1.000NO3- = Eu(NO3)+2
- log_k 1.210 #09RAO/TIA1 (Calculated usig SIT)
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.21E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3 - 1.000H+ + 1.000H2O = Eu(OH)+2
- log_k -7.800 #95SPA/BRU
- delta_h 79.824 #kJ/mol
- # Enthalpy of formation: -811.337 #kJ/mol
- -analytic 6.18454E+0 0E+0 -4.16949E+3 0E+0 0E+0
-
-1.000Eu+3 - 2.000H+ + 2.000H2O = Eu(OH)2+
- log_k -15.700 #07NEC/ALT2
- delta_h 144.521 #kJ/mol
- # Enthalpy of formation: -1032.471 #kJ/mol
- -analytic 9.61896E+0 0E+0 -7.54885E+3 0E+0 0E+0
-
-1.000Eu+3 - 3.000H+ + 3.000H2O = Eu(OH)3
- log_k -26.200 #07NEC/ALT2
- delta_h 226.860 #kJ/mol
- # Enthalpy of formation: -1235.961 #kJ/mol
- -analytic 1.35441E+1 0E+0 -1.18497E+4 0E+0 0E+0
-
-1.000HIsa- + 1.000Eu+3 + 3.000H2O - 3.000H+ = Eu(OH)3(HIsa)-
- log_k -20.900 #05TIT/WIE
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.09E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3 - 4.000H+ + 4.000H2O = Eu(OH)4-
- log_k -40.700 #07NEC/ALT2
- delta_h 296.791 #kJ/mol
- # Enthalpy of formation: -1451.86 #kJ/mol
- -analytic 1.12955E+1 0E+0 -1.55025E+4 0E+0 0E+0
-
-1.000Eu+3 + 1.000Ox-2 = Eu(Ox)+
- log_k 6.550 #Richard et al. 2011. Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.55E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3 + 2.000Ox-2 = Eu(Ox)2-
- log_k 10.930 # Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.093E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3 + 3.000Ox-2 = Eu(Ox)3-3
- log_k 12.480 #Richard et al. 2011. Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.248E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3 - 2.000H+ + 1.000H2(PO4)- = Eu(PO4)
- log_k -7.360 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -7.36E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3 - 4.000H+ + 2.000H2(PO4)- = Eu(PO4)2-3
- log_k -18.460 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.846E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3 + 1.000Phthalat-2 = Eu(Phthalat)+
- log_k 4.960 #11GRI/COL3
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.96E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3 + 2.000Phthalat-2 = Eu(Phthalat)2-
- log_k 7.340 #11GRI/COL3
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 7.34E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3 + 1.000SO4-2 = Eu(SO4)+
- log_k 3.500 #95SPA/BRU
- delta_h 15.577 #kJ/mol
- # Enthalpy of formation: -1499.094 #kJ/mol
- -analytic 6.22897E+0 0E+0 -8.13642E+2 0E+0 0E+0
-
-1.000Eu+3 + 2.000SO4-2 = Eu(SO4)2-
- log_k 5.200 #95SPA/BRU
- delta_h 27.787 #kJ/mol
- # Enthalpy of formation: -2396.224 #kJ/mol
- -analytic 1.00681E+1 0E+0 -1.45141E+3 0E+0 0E+0
-
-1.000Eu+3 + 1.000Succinat-2 = Eu(Succinat)+
- log_k 4.360 #13GRI/CAM
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.36E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3 + 2.000Succinat-2 = Eu(Succinat)2-
- log_k 6.500 #13GRI/CAM
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3 + 1.000Br- = EuBr+2
- log_k 0.250 #95SPA/BRU
- delta_h 16.223 #kJ/mol
- # Enthalpy of formation: -710.518 #kJ/mol
- -analytic 3.09214E+0 0E+0 -8.47385E+2 0E+0 0E+0
-
-1.000Eu+3 + 2.000Br- = EuBr2+
- log_k -0.090 #95SPA/BRU
- delta_h 26.498 #kJ/mol
- # Enthalpy of formation: -821.653 #kJ/mol
- -analytic 4.55224E+0 0E+0 -1.38408E+3 0E+0 0E+0
-
-1.000Eu+3 + 1.000Cl- = EuCl+2
- log_k 0.760 #Original data 01LUO/BYR and 04LUO/BYR
- delta_h 21.929 #kJ/mol
- # Enthalpy of formation: -750.482 #kJ/mol
- -analytic 4.60179E+0 0E+0 -1.14543E+3 0E+0 0E+0
-
-1.000Eu+3 + 2.000Cl- = EuCl2+
- log_k -0.050 #95SPA/BRU
- delta_h 35.334 #kJ/mol
- # Enthalpy of formation: -904.158 #kJ/mol
- -analytic 6.14024E+0 0E+0 -1.84562E+3 0E+0 0E+0
-
-1.000Eu+3 + 1.000F- = EuF+2
- log_k 4.330 #07LUO/BYR
- delta_h 24.956 #kJ/mol
- # Enthalpy of formation: -915.725 #kJ/mol
- -analytic 8.7021E+0 0E+0 -1.30354E+3 0E+0 0E+0
-
-1.000Eu+3 + 2.000F- = EuF2+
- log_k 6.550 #Original data from 99SCH/BYR and 04LUO/BYR
- delta_h 21.483 #kJ/mol
- # Enthalpy of formation: -1254.548 #kJ/mol
- -analytic 1.03137E+1 0E+0 -1.12213E+3 0E+0 0E+0
-
-1.000Eu+3 + 3.000F- = EuF3
- log_k 10.600 #95SPA/BRU
- delta_h -8.343 #kJ/mol
- # Enthalpy of formation: -1619.724 #kJ/mol
- -analytic 9.13837E+0 0E+0 4.35785E+2 0E+0 0E+0
-
-1.000Eu+3 - 1.000H+ + 1.000H4(SiO4) = EuSiO(OH)3+2
- log_k -2.620 #Original data 07THA/SIN and 96JEN/CHO1
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 1.000B(OH)4- = Fe(B(OH)4)+2
- log_k 8.580 #80BAS
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.58E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 2.000B(OH)4- = Fe(B(OH)4)2+
- log_k 15.540 #80BAS
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.554E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 + 1.000CO3-2 = Fe(CO3)
- log_k 5.690 #99CHI3
- delta_h -5.764 #kJ/mol
- # Enthalpy of formation: -770.994 #kJ/mol
- -analytic 4.68019E+0 0E+0 3.01074E+2 0E+0 0E+0
-
-1.000Fe+2 + 2.000CO3-2 = Fe(CO3)2-2
- log_k 7.450 #98KIN in 99CHI3
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 7.45E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 3.000CO3-2 = Fe(CO3)3-3
- log_k 24.240 #05GRI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.424E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 1.000Cit-3 = Fe(Cit)
- log_k 12.650 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.265E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 - 1.000H+ + 1.000Cit-3 + 1.000H2O = Fe(Cit)(OH)-
- log_k 10.330 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.033E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 + 1.000Cit-3 = Fe(Cit)-
- log_k 6.100 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.1E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 - 2.000H+ + 2.000Cit-3 + 2.000H2O = Fe(Cit)2(OH)2-5
- log_k 3.440 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.44E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 2.000Cit-3 = Fe(Cit)2-3
- log_k 18.150 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.815E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 6.000Cn- = Fe(Cn)6-3
- log_k 43.600 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.36E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 + 6.000Cn- = Fe(Cn)6-4
- log_k 35.400 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.54E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 1.000Edta-4 = Fe(Edta)-
- log_k 27.700 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.77E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 + 1.000Edta-4 = Fe(Edta)-2
- log_k 16.020 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.602E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 + 2.000H+ + 1.000Cit-3 = Fe(H2Cit)+
- log_k 24.700 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.47E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 2.000H+ + 1.000Cit-3 = Fe(H2Cit)+2
- log_k 30.400 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.04E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 + 1.000H2(PO4)- = Fe(H2PO4)+
- log_k 2.690 #USGS original
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.69E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 1.000H2(PO4)- = Fe(H2PO4)+2
- log_k 5.420 #USGS original
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.42E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 - 1.000H+ + 1.000H4(SiO4) = Fe(H3SiO4)+2
- log_k 0.360 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.6E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 + 1.000H+ + 1.000Cit-3 = Fe(HCit)
- log_k 10.020 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.002E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 1.000H+ + 2.000Cit-3 = Fe(HCit)(Cit)-2
- log_k 19.300 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.93E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 1.000H+ + 1.000Cit-3 = Fe(HCit)+
- log_k 13.560 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.356E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 2.000H+ + 2.000Cit-3 = Fe(HCit)2-
- log_k 24.920 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.492E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 1.000H+ + 1.000Edta-4 = Fe(HEdta)
- log_k 29.200 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.92E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 + 1.000H+ + 1.000Edta-4 = Fe(HEdta)-
- log_k 18.300 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.83E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 + 1.000H+ + 1.000Nta-3 = Fe(HNta)
- log_k 12.300 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.23E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 1.000H+ + 1.000Ox-2 = Fe(HOx)+2
- log_k 9.300 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 - 1.000H+ + 1.000H2(PO4)- = Fe(HPO4)
- log_k -3.610 #USGS original
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.61E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 - 1.000H+ + 1.000H2(PO4)- = Fe(HPO4)+
- log_k 1.630 #96BOU4
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.63E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 + 1.000HS- = Fe(HS)+
- log_k 4.340 #04CHI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.34E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 + 2.000HS- = Fe(HS)2
- log_k 6.450 #04CHI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.45E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 + 1.000H+ + 1.000SO4-2 = Fe(HSO4)+
- log_k 3.070 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.07E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 1.000H+ + 1.000SeO3-2 = Fe(HSeO3)+2
- log_k 12.350 #01SEB/POT2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.235E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 + 1.000NH3 = Fe(NH3)+2
- log_k 1.300 #82SCH
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 + 2.000NH3 = Fe(NH3)2+2
- log_k 2.100 #82SCH
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.1E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 + 4.000NH3 = Fe(NH3)4+2
- log_k 3.600 #82SCH
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.6E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 1.000NO3- = Fe(NO3)+2
- log_k 0.950 #HATCHES 8.0 1996
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.5E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 1.000Nta-3 = Fe(Nta)
- log_k 18.600 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.86E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 + 1.000Nta-3 = Fe(Nta)-
- log_k 10.600 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.06E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 2.000Nta-3 = Fe(Nta)2-3
- log_k 27.000 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.7E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 + 2.000Nta-3 = Fe(Nta)2-4
- log_k 13.500 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.35E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 - 1.000H+ + 1.000Cit-3 + 1.000H2O = Fe(OH)(Cit)-2
- log_k 1.500 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 - 1.000H+ + 1.000Edta-4 + 1.000H2O = Fe(OH)(Edta)-2
- log_k 20.840 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.084E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 - 1.000H+ + 1.000Edta-4 + 1.000H2O = Fe(OH)(Edta)-3
- log_k 6.400 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.4E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Fe(OH)(Nta)-
- log_k 14.600 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.46E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Fe(OH)(Nta)-2
- log_k -0.120 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.2E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 - 1.000H+ + 1.000H2O = Fe(OH)+
- log_k -9.500 #76BAE/MES in 99CHI3
- delta_h 55.304 #kJ/mol
- # Enthalpy of formation: -320.526 #kJ/mol
- -analytic 1.88831E-1 0E+0 -2.88872E+3 0E+0 0E+0
-
-1.000Fe+3 - 1.000H+ + 1.000H2O = Fe(OH)+2
- log_k -2.190 #76BAE/MES in 98CHI
- delta_h 43.514 #kJ/mol
- # Enthalpy of formation: -291.316 #kJ/mol
- -analytic 5.43331E+0 0E+0 -2.27289E+3 0E+0 0E+0
-
-1.000Fe+2 - 2.000H+ + 2.000H2O = Fe(OH)2
- log_k -20.600 #76BAE/MES in 99CHI3
- delta_h 119.662 #kJ/mol
- # Enthalpy of formation: -541.998 #kJ/mol
- -analytic 3.63852E-1 0E+0 -6.25037E+3 0E+0 0E+0
-
-1.000Fe+3 - 2.000H+ + 1.000Cit-3 + 2.000H2O = Fe(OH)2(Cit)-2
- log_k 2.900 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 - 2.000H+ + 1.000Edta-4 + 2.000H2O = Fe(OH)2(Edta)-3
- log_k 10.060 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.006E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 - 2.000H+ + 1.000Edta-4 + 2.000H2O = Fe(OH)2(Edta)-4
- log_k -4.400 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.4E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 - 2.000H+ + 1.000Nta-3 + 2.000H2O = Fe(OH)2(Nta)-2
- log_k 6.000 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 - 2.000H+ + 2.000H2O = Fe(OH)2+
- log_k -5.670 #76BAE/MES in 98CHI
- delta_h 71.546 #kJ/mol
- # Enthalpy of formation: -549.114 #kJ/mol
- -analytic 6.8643E+0 0E+0 -3.7371E+3 0E+0 0E+0
-
-1.000Fe+3 - 3.000H+ + 3.000H2O = Fe(OH)3
- log_k -12.560 #91PEA/BER in 98CHI
- delta_h 103.764 #kJ/mol
- # Enthalpy of formation: -802.726 #kJ/mol
- -analytic 5.61865E+0 0E+0 -5.41996E+3 0E+0 0E+0
-
-1.000Fe+3 - 3.000H+ + 1.000Edta-4 + 3.000H2O = Fe(OH)3(Edta)-4
- log_k 8.300 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 - 3.000H+ + 3.000H2O = Fe(OH)3-
- log_k -31.900 #76BAE/MES in 99CHI3
- delta_h 138.072 #kJ/mol
- # Enthalpy of formation: -809.418 #kJ/mol
- -analytic -7.71086E+0 0E+0 -7.21199E+3 0E+0 0E+0
-
-1.000Fe+3 - 4.000H+ + 4.000H2O = Fe(OH)4-
- log_k -21.600 #76BAE/MES in 98CHI
- delta_h 133.471 #kJ/mol
- # Enthalpy of formation: -1058.849 #kJ/mol
- -analytic 1.78308E+0 0E+0 -6.97167E+3 0E+0 0E+0
-
-1.000Fe+2 - 4.000H+ + 4.000H2O = Fe(OH)4-2
- log_k -46.000 #76BAE/MES in 99CHI3
- delta_h 158.797 #kJ/mol
- # Enthalpy of formation: -1074.523 #kJ/mol
- -analytic -1.818E+1 0E+0 -8.29453E+3 0E+0 0E+0
-
-1.000Fe+2 + 1.000Ox-2 = Fe(Ox)
- log_k 4.100 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.1E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 1.000Ox-2 = Fe(Ox)+
- log_k 9.530 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.53E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 2.000Ox-2 = Fe(Ox)2-
- log_k 15.750 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.575E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 + 2.000Ox-2 = Fe(Ox)2-2
- log_k 6.200 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.2E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 3.000Ox-2 = Fe(Ox)3-3
- log_k 20.200 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.02E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 + 3.000Ox-2 = Fe(Ox)3-4
- log_k 5.220 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.22E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 + 1.000SO4-2 = Fe(SO4)
- log_k 2.200 #91PEA/BER in 98CHI
- delta_h 13.514 #kJ/mol
- # Enthalpy of formation: -985.826 #kJ/mol
- -analytic 4.56755E+0 0E+0 -7.05884E+2 0E+0 0E+0
-
-1.000Fe+3 + 1.000SO4-2 = Fe(SO4)+
- log_k 4.100 #95BOU in 98CHI
- delta_h 16.359 #kJ/mol
- # Enthalpy of formation: -941.981 #kJ/mol
- -analytic 6.96597E+0 0E+0 -8.54489E+2 0E+0 0E+0
-
-1.000Fe+3 + 2.000SO4-2 = Fe(SO4)2-
- log_k 5.400 #91PEA/BER in 98CHI
- delta_h 19.248 #kJ/mol
- # Enthalpy of formation: -1848.432 #kJ/mol
- -analytic 8.7721E+0 0E+0 -1.00539E+3 0E+0 0E+0
-
-1.000Fe+3 + 1.000SeO3-2 = Fe(SeO3)+
- log_k 11.150 #05OLI/NOL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.115E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 + 1.000SeO4-2 = Fe(SeO4)
- log_k 2.710 #01SEB/POT2
- delta_h -12.601 #kJ/mol
- # Enthalpy of formation: -706.101 #kJ/mol
- -analytic 5.02403E-1 0E+0 6.58195E+2 0E+0 0E+0
-
-2.000Fe+3 - 2.000H+ + 2.000Cit-3 + 2.000H2O = Fe2(Cit)2(OH)2-2
- log_k 45.000 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.5E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000Fe+3 - 2.000H+ + 2.000Edta-4 + 2.000H2O = Fe2(OH)2(Edta)2-4
- log_k 68.000 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.8E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000Fe+3 - 2.000H+ + 2.000H2O = Fe2(OH)2+4
- log_k -2.950 #91PEA/BER in 98CHI
- delta_h 56.484 #kJ/mol
- # Enthalpy of formation: -613.175 #kJ/mol
- -analytic 6.94556E+0 0E+0 -2.95036E+3 0E+0 0E+0
-
-3.000Fe+3 - 4.000H+ + 4.000H2O = Fe3(OH)4+5
- log_k -6.300 #76BAE/MES in 98CHI
- delta_h 59.831 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.18193E+0 0E+0 -3.12519E+3 0E+0 0E+0
-
-1.000Fe+3 + 1.000Br- = FeBr+2
- log_k 0.700 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 7E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 2.000Br- = FeBr2+
- log_k 0.900 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O = FeCO3OH
- log_k 10.760 #05GRI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.076E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 - 1.000H+ + 1.000CO3-2 + 1.000H2O = FeCO3OH-
- log_k -4.030 #98KIN in 99CHI3
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.03E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 + 1.000Cl- = FeCl+
- log_k 0.140 #91PEA/BER in 98CHI
- delta_h -0.078 #kJ/mol
- # Enthalpy of formation: -257.158 #kJ/mol
- -analytic 1.26335E-1 0E+0 4.07422E+0 0E+0 0E+0
-
-1.000Fe+3 + 1.000Cl- = FeCl+2
- log_k 1.400 #95BOU in 98CHI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.4E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 + 2.000Cl- = FeCl2
- log_k -0.520 #95CHI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -5.2E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 2.000Cl- = FeCl2+
- log_k 2.100 #95BOU in 98CHI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.1E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 3.000Cl- = FeCl3
- log_k 1.130 #90NOR/PLU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.13E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 + 3.000Cl- = FeCl3-
- log_k 1.020 #95CHI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.02E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 4.000Cl- = FeCl4-
- log_k -0.790 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -7.9E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 1.000CrO4-2 = FeCrO4+
- log_k 7.800 #96BAR/PAL
- delta_h 19.100 #kJ/mol #96BAR/PAL
- # Enthalpy of formation: -908.9 #kJ/mol
- -analytic 1.11462E+1 0E+0 -9.97661E+2 0E+0 0E+0
-
-1.000Fe+2 + 1.000F- = FeF+
- log_k 1.000 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 1.000F- = FeF+2
- log_k 6.130 #92PEA/BER in 98CHI
- delta_h 11.297 #kJ/mol
- # Enthalpy of formation: -373.053 #kJ/mol
- -analytic 8.10915E+0 0E+0 -5.90083E+2 0E+0 0E+0
-
-1.000Fe+3 + 2.000F- = FeF2+
- log_k 10.800 #92PEA/BER in 98CHI
- delta_h 19.665 #kJ/mol
- # Enthalpy of formation: -700.035 #kJ/mol
- -analytic 1.42452E+1 0E+0 -1.02717E+3 0E+0 0E+0
-
-1.000Fe+3 + 3.000F- = FeF3
- log_k 14.000 #92PEA/BER in 98CHI
- delta_h 22.595 #kJ/mol
- # Enthalpy of formation: -1032.455 #kJ/mol
- -analytic 1.79585E+1 0E+0 -1.18022E+3 0E+0 0E+0
-
-1.000Fe+3 + 2.000H+ + 1.000Pyrophos-4 = FeH2Pyrophos+
- log_k 26.000 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.6E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2 + 1.000H+ + 1.000CO3-2 = FeHCO3+
- log_k 11.770 #95CHI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.177E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 1.000H+ + 1.000SO4-2 = FeHSO4+2
- log_k 4.470 #90NOR/PLU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.47E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 1.000I- = FeI+2
- log_k 2.100 #96BOU2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.1E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 1.000S2O3-2 = FeS2O3+
- log_k 3.900 #82SCH
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3 + 1.000Scn- = FeScn+2
- log_k 3.100 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.1E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H+ + 1.000Adipate-2 = H(Adipate)-
- log_k 5.450 #04MAR/SMI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.45E+0 0E+0 0E+0 0E+0 0E+0
-
-- 2.000H+ + 1.000H3(AsO3) = H(AsO3)-2
- log_k -23.620 #79IVA/VOR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.362E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000H+ + 1.000AsO4-3 = H(AsO4)-2
- log_k 11.600
- delta_h -18.200 #kJ/mol
- # Enthalpy of formation: -906.34 #kJ/mol #09RAN/FUG
- -analytic 8.4115E+0 0E+0 9.50651E+2 0E+0 0E+0
-
-1.000H+ + 1.000Cit-3 = H(Cit)-2
- log_k 6.360 #05HUM/AND
- delta_h 3.300 #kJ/mol
- # Enthalpy of formation: -1516.62 #kJ/mol
- -analytic 6.93813E+0 0E+0 -1.72371E+2 0E+0 0E+0
-
-1.000H+ + 1.000Edta-4 = H(Edta)-3
- log_k 11.240 #05HUM/AND
- delta_h -19.800 #kJ/mol
- # Enthalpy of formation: -1724.6 #kJ/mol
- -analytic 7.77119E+0 0E+0 1.03422E+3 0E+0 0E+0
-
-1.000H+ + 1.000Malonate-2 = H(Malonate)-
- log_k 5.710 #13GRI/CAM
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.71E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H+ + 1.000Nta-3 = H(Nta)-2
- log_k 10.280 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.028E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000H+ + 1.000Ox-2 = H(Ox)-
- log_k 4.250 #05HUM/AND
- delta_h 7.300 #kJ/mol
- # Enthalpy of formation: -823.36 #kJ/mol
- -analytic 5.5289E+0 0E+0 -3.81305E+2 0E+0 0E+0
-
-1.000H+ + 1.000Pyrophos-4 = H(Pyrophos)-3
- log_k 9.400 #92GRE/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.4E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H+ + 1.000S2O3-2 = H(S2O3)-
- log_k 1.720 #04CHI
- delta_h 8.253 #kJ/mol
- # Enthalpy of formation: -644.033 #kJ/mol
- -analytic 3.16586E+0 0E+0 -4.31084E+2 0E+0 0E+0
-
-1.000H+ + 1.000SO3-2 = H(SO3)-
- log_k 7.170 #85GOL/PAR
- delta_h 3.668 #kJ/mol
- # Enthalpy of formation: -627.392 #kJ/mol
- -analytic 7.81261E+0 0E+0 -1.91593E+2 0E+0 0E+0
-
-1.000H+ + 1.000SO4-2 = H(SO4)-
- log_k 1.980
- delta_h 22.440 #kJ/mol
- # Enthalpy of formation: -886.9 #kJ/mol
- -analytic 5.91131E+0 0E+0 -1.17212E+3 0E+0 0E+0
-
-1.000H+ + 1.000SeO3-2 = H(SeO3)-
- log_k 8.360 #05OLI/NOL
- delta_h -5.170 #kJ/mol
- # Enthalpy of formation: -512.33 #kJ/mol #05OLI/NOL
- -analytic 7.45426E+0 0E+0 2.70048E+2 0E+0 0E+0
-
-1.000H+ + 1.000SeO4-2 = H(SeO4)-
- log_k 1.750 #05OLI/NOL
- delta_h 20.800 #kJ/mol #05OLI/NOL
- # Enthalpy of formation: -582.7 #kJ/mol
- -analytic 5.394E+0 0E+0 -1.08646E+3 0E+0 0E+0
-
-1.000H+ + 1.000Suberate-2 = H(Suberate)-
- log_k 5.400 #31GAN/ING
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.4E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H+ + 1.000Succinat-2 = H(Succinat)-
- log_k 5.710 #13GRI/CAM
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.71E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000H+ + 1.000Adipate-2 = H2(Adipate)
- log_k 9.890 #04MAR/SMI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.89E+0 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+ + 1.000H3(AsO3) = H2(AsO3)-
- log_k -9.220
- delta_h 27.410 #kJ/mol
- # Enthalpy of formation: -714.79 #kJ/mol #10RAN/FUG
- -analytic -4.41798E+0 0E+0 -1.43172E+3 0E+0 0E+0
-
-2.000H+ + 1.000AsO4-3 = H2(AsO4)-
- log_k 18.370
- delta_h -21.420 #kJ/mol
- # Enthalpy of formation: -909.56 #kJ/mol #09RAN/FUG
- -analytic 1.46174E+1 0E+0 1.11884E+3 0E+0 0E+0
-
-2.000H+ + 1.000Cit-3 = H2(Cit)-
- log_k 11.140 #05HUM/AND
- delta_h 0.900 #kJ/mol
- # Enthalpy of formation: -1519.02 #kJ/mol
- -analytic 1.12977E+1 0E+0 -4.70102E+1 0E+0 0E+0
-
-2.000H+ + 1.000Edta-4 = H2(Edta)-2
- log_k 18.040 #05HUM/AND
- delta_h -35.000 #kJ/mol
- # Enthalpy of formation: -1739.8 #kJ/mol
- -analytic 1.19083E+1 0E+0 1.82817E+3 0E+0 0E+0
-
-2.000H+ + 1.000Malonate-2 = H2(Malonate)
- log_k 8.670 #13GRI/CAM
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.67E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000H+ + 1.000Nta-3 = H2(Nta)-
- log_k 13.200 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.32E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000H+ + 1.000Ox-2 = H2(Ox)
- log_k 5.650 #05HUM/AND
- delta_h 10.600 #kJ/mol #05HUM/AND
- # Enthalpy of formation: -820.06 #kJ/mol
- -analytic 7.50704E+0 0E+0 -5.53676E+2 0E+0 0E+0
-
-2.000H+ + 1.000Pyrophos-4 = H2(Pyrophos)-2
- log_k 16.050 #92GRE/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.605E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000H+ + 1.000S2O3-2 = H2(S2O3)
- log_k 2.320 #04CHI
- delta_h 22.917 #kJ/mol
- # Enthalpy of formation: -629.369 #kJ/mol
- -analytic 6.33488E+0 0E+0 -1.19704E+3 0E+0 0E+0
-
-2.000H+ + 1.000SO3-2 = H2(SO3)
- log_k 9.030 #85GOL/PAR
- delta_h 21.453 #kJ/mol
- # Enthalpy of formation: -609.607 #kJ/mol
- -analytic 1.27884E+1 0E+0 -1.12057E+3 0E+0 0E+0
-
-2.000H+ + 1.000SeO3-2 = H2(SeO3)
- log_k 11.000 #05OLI/NOL
- delta_h 1.840 #kJ/mol
- # Enthalpy of formation: -505.32 #kJ/mol #05OLI/NOL
- -analytic 1.13224E+1 0E+0 -9.61098E+1 0E+0 0E+0
-
-- 2.000H+ + 1.000H4(SiO4) = H2(SiO4)-2
- log_k -23.140 #92GRE/FUG
- delta_h 75.000 #kJ/mol #92GRE/FUG
- # Enthalpy of formation: -1386.194 #kJ/mol
- -analytic -1.00006E+1 0E+0 -3.91752E+3 0E+0 0E+0
-
-2.000H+ + 1.000Suberate-2 = H2(Suberate)
- log_k 9.920 #31GAN/ING
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.92E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000H+ + 1.000Succinat-2 = H2(Succinat)
- log_k 9.950 #13GRI/CAM
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.95E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000H+ + 1.000CrO4-2 = H2CrO4
- log_k 6.320 #76BAE/MES, 04CHI
- delta_h 39.596 #kJ/mol
- # Enthalpy of formation: -839.404 #kJ/mol
- -analytic 1.32569E+1 0E+0 -2.06824E+3 0E+0 0E+0
-
-2.000H+ + 1.000H2(PO4)- + 1.000CrO4-2 - 1.000H2O = H2CrPO7-
- log_k 9.020
- delta_h -51.490 #kJ/mol
- # Enthalpy of formation: -1947.26 #kJ/mol #76DEL/HAL
- -analytic -6.47544E-4 0E+0 2.68951E+3 0E+0 0E+0
-
-1.000H+ + 1.000HGlu- = H2Glu
- log_k 3.900 #98ZUB/CAS
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H+ + 1.000HIsa- = H2Isa
- log_k 4.000 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000H+ + 1.000MoO4-2 = H2MoO4
- log_k 8.150 #68SAS/SIL, 64AVE/ANA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.15E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000H+ + 1.000Phthalat-2 = H2Phthalat
- log_k 8.320 #10RIC/SAB1
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.32E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H+ + 1.000HS- = H2S
- log_k 6.990
- delta_h -22.300 #kJ/mol
- # Enthalpy of formation: -38.6 #kJ/mol #89COX/WAG
- -analytic 3.08321E+0 0E+0 1.16481E+3 0E+0 0E+0
-
-2.000H+ + 1.000S2O4-2 = H2S2O4
- log_k 2.800 #04CHI
- delta_h 20.207 #kJ/mol
- # Enthalpy of formation: -733.293 #kJ/mol
- -analytic 6.34011E+0 0E+0 -1.05548E+3 0E+0 0E+0
-
-1.000H+ + 1.000HSe- = H2Se
- log_k 3.850
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: 14.3 #kJ/mol #05OLI/NOL
- -analytic 3.85E+0 0E+0 0E+0 0E+0 0E+0
-
-3.000H+ + 1.000AsO4-3 = H3(AsO4)
- log_k 20.630
- delta_h -14.360 #kJ/mol
- # Enthalpy of formation: -902.5 #kJ/mol #09RAN/FUG
- -analytic 1.81142E+1 0E+0 7.50074E+2 0E+0 0E+0
-
-3.000H+ + 1.000Cit-3 = H3(Cit)
- log_k 14.270 #05HUM/AND
- delta_h -3.600 #kJ/mol
- # Enthalpy of formation: -1523.52 #kJ/mol
- -analytic 1.36393E+1 0E+0 1.88041E+2 0E+0 0E+0
-
-3.000H+ + 1.000Edta-4 = H3(Edta)-
- log_k 21.190 #05HUM/AND
- delta_h -27.900 #kJ/mol
- # Enthalpy of formation: -1732.7 #kJ/mol
- -analytic 1.63021E+1 0E+0 1.45732E+3 0E+0 0E+0
-
-3.000H+ + 1.000Nta-3 = H3(Nta)
- log_k 15.330 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.533E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000H+ + 1.000H2(PO4)- = H3(PO4)
- log_k 2.140 #92GRE/FUG
- delta_h 8.480 #kJ/mol #92GRE/FUG
- # Enthalpy of formation: -1294.12 #kJ/mol
- -analytic 3.62563E+0 0E+0 -4.42941E+2 0E+0 0E+0
-
-3.000H+ + 1.000Pyrophos-4 = H3(Pyrophos)-
- log_k 18.300 #92GRE/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.83E+1 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+ + 1.000H4(SiO4) = H3(SiO4)-
- log_k -9.840 #06BLA/PIA
- delta_h 29.363 #kJ/mol
- # Enthalpy of formation: -1431.831 #kJ/mol
- -analytic -4.69583E+0 0E+0 -1.53373E+3 0E+0 0E+0
-
-4.000H+ + 1.000Edta-4 = H4(Edta)
- log_k 23.420 #05HUM/AND
- delta_h -26.000 #kJ/mol
- # Enthalpy of formation: -1730.8 #kJ/mol
- -analytic 1.8865E+1 0E+0 1.35807E+3 0E+0 0E+0
-
-4.000H+ + 1.000Nta-3 = H4(Nta)+
- log_k 16.130 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.613E+1 0E+0 0E+0 0E+0 0E+0
-
-4.000H+ + 1.000Pyrophos-4 = H4(Pyrophos)
- log_k 19.300 #92GRE/FUG
- delta_h 6.684 #kJ/mol
- # Enthalpy of formation: -2280.21 #kJ/mol #92GRE/FUG
- -analytic 2.0471E+1 0E+0 -3.49129E+2 0E+0 0E+0
-
-5.000H+ + 1.000Edta-4 = H5(Edta)+
- log_k 24.720 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.472E+1 0E+0 0E+0 0E+0 0E+0
-
-6.000H+ + 1.000Edta-4 = H6(Edta)+2
- log_k 24.220 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.422E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000H+ + 1.000Acetate- = HAcetate
- log_k 4.760
- delta_h 0.250 #kJ/mol
- # Enthalpy of formation: -485.76 #kJ/mol #82WAG/EVA
- -analytic 4.8038E+0 0E+0 -1.30584E+1 0E+0 0E+0
-
-1.000H+ + 2.000B(OH)4- - 4.000H2O = HB2O4-
- log_k 9.170 #97CRO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.17E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H+ + 1.000CO3-2 = HCO3-
- log_k 10.330
- delta_h -14.700 #kJ/mol
- # Enthalpy of formation: -689.93 #kJ/mol #89COX/WAG
- -analytic 7.75467E+0 0E+0 7.67833E+2 0E+0 0E+0
-
-1.000H+ + 1.000Cl- = HCl
- log_k -0.710 #97TAG/ZOT
- delta_h -12.298 #kJ/mol
- # Enthalpy of formation: -179.378 #kJ/mol
- -analytic -2.86451E+0 0E+0 6.42368E+2 0E+0 0E+0
-
-1.000H+ + 1.000CrO4-2 = HCrO4-
- log_k 6.520 #87PAL/WES, 04CHI
- delta_h 6.016 #kJ/mol
- # Enthalpy of formation: -872.984 #kJ/mol
- -analytic 7.57396E+0 0E+0 -3.14237E+2 0E+0 0E+0
-
-1.000H+ + 1.000H2(PO4)- + 1.000CrO4-2 - 1.000H2O = HCrPO7-2
- log_k 6.370
- delta_h -36.390 #kJ/mol
- # Enthalpy of formation: -1932.16 #kJ/mol #76DEL/HEP
- -analytic -5.24498E-3 0E+0 1.90078E+3 0E+0 0E+0
-
-1.000H+ + 1.000MoO4-2 = HMoO4-
- log_k 4.110 #68SAS/SIL, 64AVE/ANA
- delta_h 58.576 #kJ/mol #68ARN/SZI in 76BAE/MES
- # Enthalpy of formation: -938.424 #kJ/mol
- -analytic 1.43721E+1 0E+0 -3.05963E+3 0E+0 0E+0
-
-- 1.000H+ + 1.000H2(PO4)- = HPO4-2
- log_k -7.210
- delta_h 3.600 #kJ/mol
- # Enthalpy of formation: -1299 #kJ/mol #89COX/WAG
- -analytic -6.57931E+0 0E+0 -1.88041E+2 0E+0 0E+0
-
-1.000H+ + 1.000Phthalat-2 = HPhthalat-
- log_k 5.340 #10RIC/SAB1
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.34E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H+ + 1.000S2O4-2 = HS2O4-
- log_k 2.500 #04CHI
- delta_h 3.834 #kJ/mol
- # Enthalpy of formation: -749.666 #kJ/mol
- -analytic 3.17169E+0 0E+0 -2.00263E+2 0E+0 0E+0
-
-1.000H+ + 1.000SO4-2 + 0.500O2 = HSO5-
- log_k -17.220
- delta_h 139.777 #kJ/mol
- # Enthalpy of formation: -775.63 #kJ/mol #88SHO/HEL
- -analytic 7.26784E+0 0E+0 -7.30105E+3 0E+0 0E+0
-
-4.000CO3-2 + 1.000Hf+4 = Hf(CO3)4-4
- log_k 42.900 #analogy with Zr
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.29E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000NO3- + 1.000Hf+4 = Hf(NO3)2+2
- log_k 2.490 #65DES/KHO recalculated
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.49E+0 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+ + 1.000Hf+4 + 1.000H2O = Hf(OH)+3
- log_k -0.200 #01RAI/XIA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2E-1 0E+0 0E+0 0E+0 0E+0
-
-- 4.000H+ + 1.000Hf+4 + 4.000H2O = Hf(OH)4
- log_k -11.200 #01RAI/XIA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.12E+1 0E+0 0E+0 0E+0 0E+0
-
-- 5.000H+ + 1.000Hf+4 + 5.000H2O = Hf(OH)5-
- log_k -20.300 #01RAI/XIA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.03E+1 0E+0 0E+0 0E+0 0E+0
-
-- 6.000H+ + 1.000Hf+4 + 6.000H2O = Hf(OH)6-2
- log_k -32.800 #01RAI/XIA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.28E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000SO4-2 + 1.000Hf+4 = Hf(SO4)2
- log_k 10.110 #65DES/KHO recalculated
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.011E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Br- + 1.000Hf+4 = HfBr+3
- log_k 0.380 #67HAL/POH recalculated
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.8E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Cl- + 1.000Hf+4 = HfCl+3
- log_k 2.200 #65DES/KHO and others recalculated
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.2E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000Cl- + 1.000Hf+4 = HfCl2+2
- log_k 2.050 #65DES/KHO and others recalculated
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.05E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000F- + 1.000Hf+4 = HfF+3
- log_k 9.290 #05SAW/THA and others recalculated
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.29E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000F- + 1.000Hf+4 = HfF2+2
- log_k 17.850 #05SAW/THA and others recalculated
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.785E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000F- + 1.000Hf+4 = HfF3+
- log_k 25.080 #05SAW/THA and others recalculated
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.508E+1 0E+0 0E+0 0E+0 0E+0
-
-4.000F- + 1.000Hf+4 = HfF4
- log_k 31.410 #05SAW/THA and others recalculated
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.141E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000I- + 1.000Hf+4 = HfI+3
- log_k 0.020 #67HAL/POH recalculated
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2E-2 0E+0 0E+0 0E+0 0E+0
-
-1.000NO3- + 1.000Hf+4 = HfNO3+3
- log_k 1.850 #65DES/KHO 69HAL/SMO recalculated
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.85E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000SO4-2 + 1.000Hf+4 = HfSO4+2
- log_k 6.060 #65DES/KHO recalculated
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.06E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Hg+2 + 2.000H+ + 2.000Cn- + 2.000HSe- - 2.000H2O + 1.000O2 = Hg(SeCn)2
- log_k 134.330
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.3433E+2 0E+0 0E+0 0E+0 0E+0
-
-1.000Hg+2 + 3.000H+ + 3.000Cn- + 3.000HSe- - 3.000H2O + 1.500O2 = Hg(SeCn)3-
- log_k 194.850
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.9485E+2 0E+0 0E+0 0E+0 0E+0
-
-1.000Hg+2 + 4.000H+ + 4.000Cn- + 4.000HSe- - 4.000H2O + 2.000O2 = Hg(SeCn)4-2
- log_k 253.370
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.5337E+2 0E+0 0E+0 0E+0 0E+0
-
-1.000Hg+2 + 2.000SeO3-2 = Hg(SeO3)2-2
- log_k 14.850 #05OLI/NOL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.485E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Hg+2 - 1.000H+ + 1.000HSe- = HgSe
- log_k 37.590
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.759E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Hg+2 - 2.000H+ + 2.000HSe- = HgSe2-2
- log_k 32.630
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.263E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ho+3 + 1.000CO3-2 = Ho(CO3)+
- log_k 8.000 #95SPA/BRU
- delta_h 168.562 #kJ/mol
- # Enthalpy of formation: -1213.71 #kJ/mol
- -analytic 3.75308E+1 0E+0 -8.80459E+3 0E+0 0E+0
-
-1.000Ho+3 + 2.000CO3-2 = Ho(CO3)2-
- log_k 13.300 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.33E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ho+3 + 3.000CO3-2 = Ho(CO3)3-3
- log_k 14.800 #05VER/VIT2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.48E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ho+3 + 1.000H2(PO4)- = Ho(H2PO4)+2
- log_k 2.300 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H+ + 1.000Ho+3 + 1.000CO3-2 = Ho(HCO3)+2
- log_k 12.500 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.25E+1 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+ + 1.000Ho+3 + 1.000H2(PO4)- = Ho(HPO4)+
- log_k -1.410 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.41E+0 0E+0 0E+0 0E+0 0E+0
-
-- 2.000H+ + 1.000Ho+3 + 2.000H2(PO4)- = Ho(HPO4)2-
- log_k -4.520 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.52E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ho+3 + 1.000NO3- = Ho(NO3)+2
- log_k 0.500 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5E-1 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+ + 1.000Ho+3 + 1.000H2O = Ho(OH)+2
- log_k -7.900 #95SPA/BRU
- delta_h 79.900 #kJ/mol
- # Enthalpy of formation: -912.972 #kJ/mol
- -analytic 6.09786E+0 0E+0 -4.17346E+3 0E+0 0E+0
-
-- 2.000H+ + 1.000Ho+3 + 2.000H2O = Ho(OH)2+
- log_k -15.700 #07NEC/ALT2
- delta_h 143.846 #kJ/mol
- # Enthalpy of formation: -1134.856 #kJ/mol
- -analytic 9.5007E+0 0E+0 -7.51359E+3 0E+0 0E+0
-
-- 3.000H+ + 1.000Ho+3 + 3.000H2O = Ho(OH)3
- log_k -26.200 #07NEC/ALT2
- delta_h 226.067 #kJ/mol
- # Enthalpy of formation: -1338.465 #kJ/mol
- -analytic 1.34052E+1 0E+0 -1.18083E+4 0E+0 0E+0
-
-- 4.000H+ + 1.000Ho+3 + 4.000H2O = Ho(OH)4-
- log_k -40.700 #07NEC/ALT2
- delta_h 295.822 #kJ/mol
- # Enthalpy of formation: -1554.54 #kJ/mol
- -analytic 1.11257E+1 0E+0 -1.54518E+4 0E+0 0E+0
-
-- 2.000H+ + 1.000Ho+3 + 1.000H2(PO4)- = Ho(PO4)
- log_k -6.960 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -6.96E+0 0E+0 0E+0 0E+0 0E+0
-
-- 4.000H+ + 1.000Ho+3 + 2.000H2(PO4)- = Ho(PO4)2-3
- log_k -17.820 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.782E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ho+3 + 1.000SO4-2 = Ho(SO4)+
- log_k 3.400 #95SPA/BRU
- delta_h 15.387 #kJ/mol
- # Enthalpy of formation: -1600.995 #kJ/mol
- -analytic 6.09568E+0 0E+0 -8.03718E+2 0E+0 0E+0
-
-1.000Ho+3 + 2.000SO4-2 = Ho(SO4)2-
- log_k 4.900 #95SPA/BRU
- delta_h 23.670 #kJ/mol
- # Enthalpy of formation: -2502.052 #kJ/mol
- -analytic 9.0468E+0 0E+0 -1.23637E+3 0E+0 0E+0
-
-1.000Ho+3 + 1.000Cl- = HoCl+2
- log_k 0.740 #Original data from 01LUO/BYR and 04LUO/BYR
- delta_h 22.013 #kJ/mol
- # Enthalpy of formation: -852.109 #kJ/mol
- -analytic 4.59651E+0 0E+0 -1.14982E+3 0E+0 0E+0
-
-1.000Ho+3 + 2.000Cl- = HoCl2+
- log_k -0.290 #81TUR/WHI
- delta_h 36.300 #kJ/mol
- # Enthalpy of formation: -1004.902 #kJ/mol
- -analytic 6.06948E+0 0E+0 -1.89608E+3 0E+0 0E+0
-
-1.000Ho+3 + 1.000F- = HoF+2
- log_k 4.330 #07LUO/BYR
- delta_h 25.761 #kJ/mol
- # Enthalpy of formation: -1016.631 #kJ/mol
- -analytic 8.84313E+0 0E+0 -1.34559E+3 0E+0 0E+0
-
-1.000Ho+3 + 2.000F- = HoF2+
- log_k 6.520 #Original data from 99SCH/BYR and 04LUO/BYR
- delta_h 21.110 #kJ/mol #04LUO/MIL
- # Enthalpy of formation: -1356.632 #kJ/mol
- -analytic 1.02183E+1 0E+0 -1.10265E+3 0E+0 0E+0
-
-- 1.000H+ + 1.000Ho+3 + 1.000H4(SiO4) = HoSiO(OH)3+2
- log_k -2.620 #Original data from 07THA/SIN and 96JEN/CHO1
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0
-
-3.000I- - 1.000H2O + 2.000H+ + 0.500O2 = I3-
- log_k 24.820
- delta_h -160.886 #kJ/mol
- # Enthalpy of formation: -51.463 #kJ/mol
- -analytic -3.36598E+0 0E+0 8.40365E+3 0E+0 0E+0
-
-2.000Cl- + 1.000I- - 1.000H2O + 2.000H+ + 0.500O2 = ICl2-
- log_k 16.190 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.619E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000I- + 0.500O2 = IO-
- log_k -1.010 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.01E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000I- + 2.000O2 = IO4-
- log_k 6.980
- delta_h -70.413 #kJ/mol
- # Enthalpy of formation: -151.461 #kJ/mol
- -analytic -5.35581E+0 0E+0 3.67792E+3 0E+0 0E+0
-
-1.000K+ + 1.000Edta-4 = K(Edta)-3
- log_k 1.800 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.8E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000K+ + 1.000H+ + 1.000Nta-3 = K(HNta)-
- log_k 10.300 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.03E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000K+ - 1.000H+ + 1.000H2(PO4)- = K(HPO4)-
- log_k -6.400 #97MAR/SMI
- delta_h 31.589 #kJ/mol #97MAR/SMI
- # Enthalpy of formation: -1523.151 #kJ/mol
- -analytic -8.65853E-1 0E+0 -1.65001E+3 0E+0 0E+0
-
-1.000K+ + 1.000IO3- = K(IO3)
- log_k 0.020 #estimation NEA87 08/2/95
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2E-2 0E+0 0E+0 0E+0 0E+0
-
-1.000K+ + 1.000Nta-3 = K(Nta)-2
- log_k 1.300 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000K+ + 1.000Pyrophos-4 = K(Pyrophos)-3
- log_k 2.100 #76MAR/SMI
- delta_h 7.113 #kJ/mol #76MAR/SMI
- # Enthalpy of formation: -2531.921 #kJ/mol
- -analytic 3.34614E+0 0E+0 -3.71537E+2 0E+0 0E+0
-
-1.000K+ + 1.000Al+3 - 4.000H+ + 4.000H2O = KAl(OH)4
- log_k -24.220
- delta_h 211.675 #kJ/mol
- # Enthalpy of formation: -1722.185 #kJ/mol #97POK/HEL2
- -analytic 1.28638E+1 0E+0 -1.10565E+4 0E+0 0E+0
-
-1.000K+ + 1.000H2(PO4)- = KH2PO4
- log_k 0.440 #97MAR/SMI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.4E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000K+ + 1.000I- = KI
- log_k -1.570 #estimation NEA87 08/2/95
- delta_h 9.011 #kJ/mol
- # Enthalpy of formation: -299.909 #kJ/mol
- -analytic 8.65712E-3 0E+0 -4.70677E+2 0E+0 0E+0
-
-1.000K+ - 2.000H+ + 1.000H2(PO4)- = KPO4-2
- log_k -18.260 #97MAR/SMI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.826E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2 + 1.000CO3-2 = Mg(CO3)
- log_k 2.980 #97SVE/SHO
- delta_h 8.804 #kJ/mol
- # Enthalpy of formation: -1133.426 #kJ/mol
- -analytic 4.52239E+0 0E+0 -4.59864E+2 0E+0 0E+0
-
-1.000Mg+2 + 1.000Cit-3 = Mg(Cit)-
- log_k 4.810 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.81E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2 + 1.000Edta-4 = Mg(Edta)-2
- log_k 10.900 #05HUM/AND
- delta_h 19.800 #kJ/mol
- # Enthalpy of formation: -2152 #kJ/mol
- -analytic 1.43688E+1 0E+0 -1.03422E+3 0E+0 0E+0
-
-1.000Mg+2 + 2.000H+ + 1.000Cit-3 = Mg(H2Cit)+
- log_k 12.450 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.245E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2 + 1.000H2(PO4)- = Mg(H2PO4)+
- log_k 1.170 #81TUR/WHI
- delta_h 13.514 #kJ/mol #96BOU1
- # Enthalpy of formation: -1756.086 #kJ/mol
- -analytic 3.53755E+0 0E+0 -7.05884E+2 0E+0 0E+0
-
-1.000Mg+2 - 1.000H+ + 1.000H4(SiO4) = Mg(H3SiO4)+
- log_k -8.580 #97SVE/SHO
- delta_h 27.114 #kJ/mol
- # Enthalpy of formation: -1901.08 #kJ/mol
- -analytic -3.82984E+0 0E+0 -1.41626E+3 0E+0 0E+0
-
-1.000Mg+2 + 1.000H+ + 1.000CO3-2 = Mg(HCO3)+
- log_k 11.370 #95SHO/KOR
- delta_h -12.859 #kJ/mol
- # Enthalpy of formation: -1155.089 #kJ/mol
- -analytic 9.1172E+0 0E+0 6.71671E+2 0E+0 0E+0
-
-1.000Mg+2 + 1.000H+ + 1.000Cit-3 = Mg(HCit)
- log_k 8.960 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.96E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2 + 1.000H+ + 1.000Edta-4 = Mg(HEdta)-
- log_k 15.400 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.54E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2 + 1.000H+ + 1.000Malonate-2 = Mg(HMalonate)+
- log_k 7.050 #13GRI/CAM
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 7.05E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2 - 1.000H+ + 1.000H2(PO4)- = Mg(HPO4)
- log_k -4.300 #76SMI/MAR
- delta_h 16.152 #kJ/mol #76SMI/MAR
- # Enthalpy of formation: -1753.448 #kJ/mol
- -analytic -1.4703E+0 0E+0 -8.43676E+2 0E+0 0E+0
-
-1.000Mg+2 + 1.000H+ + 1.000Succinat-2 = Mg(HSuccinat)+
- log_k 6.720 #13GRI/CAM
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.72E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2 + 1.000IO3- = Mg(IO3)+
- log_k 0.700 #estimation NEA87 08/2/95 ;
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 7E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2 + 1.000Malonate-2 = Mg(Malonate)
- log_k 2.860 #76KLA/OST
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.86E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2 + 1.000NH3 = Mg(NH3)+2
- log_k 0.100 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -548.148 #kJ/mol
- -analytic 1E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2 + 3.000NH3 = Mg(NH3)3+2
- log_k -0.300 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -710.444 #kJ/mol
- -analytic -3E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2 + 4.000NH3 = Mg(NH3)4+2
- log_k -1.000 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -791.592 #kJ/mol
- -analytic -1E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2 + 1.000Nta-3 = Mg(Nta)-
- log_k 6.790 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2 - 1.000H+ + 1.000H2O = Mg(OH)+
- log_k -11.680 #97SHO/SAS2
- delta_h 62.835 #kJ/mol
- # Enthalpy of formation: -689.995 #kJ/mol
- -analytic -6.71797E-1 0E+0 -3.2821E+3 0E+0 0E+0
-
-1.000Mg+2 + 1.000Ox-2 = Mg(Ox)
- log_k 3.560 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.56E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2 + 2.000Ox-2 = Mg(Ox)2-2
- log_k 5.170 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.17E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2 - 2.000H+ + 1.000H2(PO4)- = Mg(PO4)-
- log_k -14.710 #81TUR/WHI
- delta_h 31.170 #kJ/mol #96BOU1
- # Enthalpy of formation: -1738.43 #kJ/mol
- -analytic -9.24926E+0 0E+0 -1.62812E+3 0E+0 0E+0
-
-1.000Mg+2 + 1.000Pyrophos-4 = Mg(Pyrophos)-2
- log_k 7.200 #76SMI/MAR
- delta_h 12.542 #kJ/mol
- # Enthalpy of formation: -2741.352 #kJ/mol
- -analytic 9.39726E+0 0E+0 -6.55113E+2 0E+0 0E+0
-
-1.000Mg+2 + 1.000S2O3-2 = Mg(S2O3)
- log_k 1.820 #76SMI/MAR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.82E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2 + 1.000SO4-2 = Mg(SO4)
- log_k 2.230 #76SMI/MAR
- delta_h 5.858 #kJ/mol #76SMI/MAR
- # Enthalpy of formation: -1370.482 #kJ/mol
- -analytic 3.25628E+0 0E+0 -3.05984E+2 0E+0 0E+0
-
-1.000Mg+2 + 1.000SeO4-2 = Mg(SeO4)
- log_k 2.200 #05OLI/NOL
- delta_h -6.614 #kJ/mol
- # Enthalpy of formation: -1077.114 #kJ/mol
- -analytic 1.04128E+0 0E+0 3.45473E+2 0E+0 0E+0
-
-1.000Mg+2 + 1.000Succinat-2 = Mg(Succinat)
- log_k 2.270 #13GRI/CAM
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.27E+0 0E+0 0E+0 0E+0 0E+0
-
-4.000Mg+2 - 4.000H+ + 4.000H2O = Mg4(OH)4+4
- log_k -39.750 #76BAE/MES
- delta_h 229.186 #kJ/mol
- # Enthalpy of formation: -2782.134 #kJ/mol
- -analytic 4.01605E-1 0E+0 -1.19712E+4 0E+0 0E+0
-
-1.000Mg+2 + 1.000B(OH)4- = MgB(OH)4+
- log_k 1.600 #97CRO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.6E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2 + 1.000Br- = MgBr+
- log_k -0.140 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.4E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2 + 1.000Cl- = MgCl+
- log_k 0.350 #96BOU1
- delta_h -1.729 #kJ/mol
- # Enthalpy of formation: -635.809 #kJ/mol
- -analytic 4.70926E-2 0E+0 9.03118E+1 0E+0 0E+0
-
-1.000Mg+2 + 1.000F- = MgF+
- log_k 1.800 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; S¿lection de donn¿es thermodynamiques aff¿rentes aux corrections de Temp¿rature sur les principaux ¿quilibres chimiques en milieu naturel
- delta_h 13.389 #kJ/mol
- # Enthalpy of formation: -788.961 #kJ/mol
- -analytic 4.14565E+0 0E+0 -6.99355E+2 0E+0 0E+0
-
-1.000Mg+2 + 1.000I- = MgI+
- log_k 0.180 #estimation NEA87 08/2/95
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.8E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2 + 2.000I- = MgI2
- log_k 0.030 #estimation NEA87 08/2/95 ;
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3E-2 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 + 1.000CO3-2 = Mn(CO3)
- log_k 6.500 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 + 1.000H+ + 1.000CO3-2 = Mn(HCO3)+
- log_k 11.610 #95CHI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.161E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 - 1.000H+ + 1.000H2(PO4)- = Mn(HPO4)
- log_k -3.260 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.26E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 - 2.000H+ + 2.000H2(PO4)- = Mn(HPO4)2-2
- log_k -9.120 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -9.12E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 + 1.000IO3- = Mn(IO3)+
- log_k 0.840 #estimation NEA87 08/2/95
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.4E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 + 2.000IO3- = Mn(IO3)2
- log_k 0.130 #estimation NEA87 08/2/95
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.3E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 + 1.000NH3 = Mn(NH3)+2
- log_k 0.700 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 7E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 + 2.000NH3 = Mn(NH3)2+2
- log_k 1.200 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.2E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 + 1.000NO3- = Mn(NO3)+
- log_k 0.160 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.6E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 + 2.000NO3- = Mn(NO3)2
- log_k 0.500 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 - 1.000H+ + 1.000H2O = Mn(OH)+
- log_k -10.590 #95CHI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.059E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 - 2.000H+ + 2.000H2O = Mn(OH)2
- log_k -22.200 #95CHI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.22E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 - 3.000H+ + 3.000H2O = Mn(OH)3-
- log_k -34.800 #95CHI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.48E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 - 4.000H+ + 4.000H2O = Mn(OH)4-2
- log_k -48.300 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/91PEA/BER 11891 EN ; Nagra TR 91-18 (mai 1992, Hatches 3.0) (provient de la base 0391 MINEQL- PSY)
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.83E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 + 1.000Pyrophos-4 = Mn(Pyrophos)-2
- log_k 6.000 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 + 1.000S2O3-2 = Mn(S2O3)
- log_k 1.900 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 + 1.000SO4-2 = Mn(SO4)
- log_k 2.250 #95CHI
- delta_h 14.100 #kJ/mol
- # Enthalpy of formation: -1115.99 #kJ/mol
- -analytic 4.72021E+0 0E+0 -7.36493E+2 0E+0 0E+0
-
-1.000Mn+2 + 1.000Scn- = Mn(Scn)+
- log_k 1.400 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.4E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 + 1.000SeO4-2 = Mn(SeO4)
- log_k 2.430 #05OLI/NOL
- delta_h -1.282 #kJ/mol
- # Enthalpy of formation: -825.582 #kJ/mol
- -analytic 2.2054E+0 0E+0 6.69634E+1 0E+0 0E+0
-
-1.000Mn+2 - 0.500H2O + 1.000H+ + 0.250O2 = Mn+3
- log_k -4.015 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.015E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000Mn+2 - 1.000H+ + 1.000H2O = Mn2(OH)+3
- log_k -10.100 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.01E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000Mn+2 - 3.000H+ + 3.000H2O = Mn2(OH)3+
- log_k -24.900 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.49E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 + 1.000Br- = MnBr+
- log_k 0.130 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.3E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 + 1.000Cl- = MnCl+
- log_k 0.300
- delta_h 18.466 #kJ/mol
- # Enthalpy of formation: -369.364 #kJ/mol
- -analytic 3.5351E+0 0E+0 -9.64545E+2 0E+0 0E+0
-
-1.000Mn+2 + 2.000Cl- = MnCl2
- log_k 0.250 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.5E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 + 3.000Cl- = MnCl3-
- log_k -0.310 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.1E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 + 1.000F- = MnF+
- log_k 0.850 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.5E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 + 2.000F- = MnF2
- log_k 9.040 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.04E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 + 3.000F- = MnF3-
- log_k 11.640 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.164E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 + 4.000F- = MnF4-2
- log_k 13.400 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.34E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 + 5.000F- = MnF5-3
- log_k 14.700 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.47E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 + 6.000F- = MnF6-4
- log_k 15.500 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.55E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 + 1.000I- = MnI+
- log_k 0.230 #estimation NEA87 08/2/95
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.3E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2 - 3.000H+ + 1.500H2O + 1.250O2 = MnO4-
- log_k -20.305 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92
- delta_h 123.253 #kJ/mol
- # Enthalpy of formation: -541.41 #kJ/mol
- -analytic 1.28788E+0 0E+0 -6.43792E+3 0E+0 0E+0
-
-1.000Mn+2 - 4.000H+ + 2.000H2O + 1.000O2 = MnO4-2
- log_k -32.420 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92
- delta_h 151.840 #kJ/mol
- # Enthalpy of formation: -652.704 #kJ/mol
- -analytic -5.81881E+0 0E+0 -7.93114E+3 0E+0 0E+0
-
-1.000Mn+2 - 5.000H+ + 2.500H2O + 0.750O2 = MnO4-3
- log_k -48.515 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.8515E+1 0E+0 0E+0 0E+0 0E+0
-
-5.000H+ + 1.000MoO4-2 - 2.500H2O - 0.750O2 = Mo+3
- log_k -42.725 #68SAS/SIL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.2725E+1 0E+0 0E+0 0E+0 0E+0
-
-34.000H+ + 19.000MoO4-2 - 17.000H2O = Mo19O59-4
- log_k 196.300 #68SAS/SIL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.963E+2 0E+0 0E+0 0E+0 0E+0
-
-5.000H+ + 2.000MoO4-2 - 2.000H2O = Mo2O5(OH)+
- log_k 19.000 #68SAS/SIL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.9E+1 0E+0 0E+0 0E+0 0E+0
-
-11.000H+ + 7.000MoO4-2 - 4.000H2O = Mo7O21(OH)3-3
- log_k 66.480 #68SAS/SIL, 64AVE/ANA
- delta_h -222.589 #kJ/mol #68ARN/SZI in 76BAE/MES
- # Enthalpy of formation: -6058.269 #kJ/mol
- -analytic 2.74841E+1 0E+0 1.16266E+4 0E+0 0E+0
-
-10.000H+ + 7.000MoO4-2 - 4.000H2O = Mo7O22(OH)2-4
- log_k 62.710 #68SAS/SIL, 64AVE/ANA
- delta_h -220.079 #kJ/mol #68ARN/SZI in 76BAE/MES
- # Enthalpy of formation: -6055.759 #kJ/mol
- -analytic 2.41539E+1 0E+0 1.14955E+4 0E+0 0E+0
-
-9.000H+ + 7.000MoO4-2 - 4.000H2O = Mo7O23(OH)-5
- log_k 57.210 #68SAS/SIL, 64AVE/ANA
- delta_h -223.426 #kJ/mol #68ARN/SZI in 76BAE/MES
- # Enthalpy of formation: -6059.106 #kJ/mol
- -analytic 1.80675E+1 0E+0 1.16703E+4 0E+0 0E+0
-
-8.000H+ + 7.000MoO4-2 - 4.000H2O = Mo7O24-6
- log_k 50.350 #68SAS/SIL, 64AVE/ANA
- delta_h -234.304 #kJ/mol #68ARN/SZI in 76BAE/MES
- # Enthalpy of formation: -6069.984 #kJ/mol
- -analytic 9.30176E+0 0E+0 1.22385E+4 0E+0 0E+0
-
-1.000H+ + 1.000NH3 = NH4+
- log_k 9.230 #92GRE/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -133.26 #kJ/mol #92GRE/FUG
- -analytic 9.23E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Na+ + 1.000CO3-2 = Na(CO3)-
- log_k 1.270 #90NOR/PLU
- delta_h 37.279 #kJ/mol #90NOR/PLU
- # Enthalpy of formation: -878.291 #kJ/mol
- -analytic 7.80099E+0 0E+0 -1.94721E+3 0E+0 0E+0
-
-1.000Na+ + 1.000Edta-4 = Na(Edta)-3
- log_k 2.800 #05HUM/AND
- delta_h -4.000 #kJ/mol
- # Enthalpy of formation: -1949.14 #kJ/mol
- -analytic 2.09923E+0 0E+0 2.08934E+2 0E+0 0E+0
-
-1.000Na+ + 1.000H+ + 1.000CO3-2 = Na(HCO3)
- log_k 10.080 #90NOR/PLU
- delta_h -26.127 #kJ/mol
- # Enthalpy of formation: -941.697 #kJ/mol
- -analytic 5.50275E+0 0E+0 1.36471E+3 0E+0 0E+0
-
-1.000Na+ + 1.000H+ + 1.000Nta-3 = Na(HNta)-
- log_k 10.320 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.032E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Na+ - 1.000H+ + 1.000H2(PO4)- = Na(HPO4)-
- log_k -6.340 #97MAR/SMI
- delta_h 34.936 #kJ/mol #97MAR/SMI
- # Enthalpy of formation: -1508.004 #kJ/mol
- -analytic -2.19485E-1 0E+0 -1.82483E+3 0E+0 0E+0
-
-1.000Na+ + 1.000IO3- = Na(IO3)
- log_k 0.060 #estimation NEA87 08/2/95
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6E-2 0E+0 0E+0 0E+0 0E+0
-
-1.000Na+ + 1.000Nta-3 = Na(Nta)-2
- log_k 1.880 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.88E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Na+ + 1.000S2O3-2 = Na(S2O3)-
- log_k 0.610
- delta_h 4.656 #kJ/mol
- # Enthalpy of formation: -887.97 #kJ/mol #82WAG/EVA
- -analytic 1.42569E+0 0E+0 -2.43199E+2 0E+0 0E+0
-
-2.000Na+ + 1.000Pyrophos-4 = Na2(Pyrophos)-2
- log_k 2.290 #76SMI/MAR
- delta_h 5.858 #kJ/mol #76SMI/MAR
- # Enthalpy of formation: -2761.716 #kJ/mol
- -analytic 3.31628E+0 0E+0 -3.05984E+2 0E+0 0E+0
-
-1.000Na+ + 1.000Al+3 - 4.000H+ + 4.000H2O = NaAl(OH)4
- log_k -23.630
- delta_h 190.348 #kJ/mol
- # Enthalpy of formation: -1731.712 #kJ/mol #95POK/HEL
- -analytic 9.71749E+0 0E+0 -9.94255E+3 0E+0 0E+0
-
-1.000Na+ + 1.000B(OH)4- = NaB(OH)4
- log_k -0.100
- delta_h 1.226 #kJ/mol
- # Enthalpy of formation: -1584.23 #kJ/mol
- -analytic 1.14786E-1 0E+0 -6.40383E+1 0E+0 0E+0
-
-1.000Na+ + 1.000F- = NaF
- log_k -0.450 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; S¿lection de donn¿es thermodynamiques aff¿rentes aux corrections de Temp¿rature sur les principaux ¿quilibres chimiques en milieu naturel
- delta_h -12.552 #kJ/mol
- # Enthalpy of formation: -588.242 #kJ/mol
- -analytic -2.64901E+0 0E+0 6.55636E+2 0E+0 0E+0
-
-1.000Na+ + 1.000H2(PO4)- = NaH2PO4
- log_k 0.410 #97MAR/SMI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.1E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Na+ + 1.000I- = NaI
- log_k -1.520 #estimation NEA87 08/2/95
- delta_h 7.252 #kJ/mol
- # Enthalpy of formation: -289.868 #kJ/mol
- -analytic -2.49506E-1 0E+0 -3.78798E+2 0E+0 0E+0
-
-1.000Na+ - 2.000H+ + 1.000H2(PO4)- = NaPO4-2
- log_k -18.070 #97MAR/SMI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.807E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000H+ + 1.000Nb(OH)6- - 3.000H2O = Nb(OH)3+2
- log_k 7.500 #97PEI/NGU
- delta_h -10.230 #kJ/mol #97PEI/NGU
- # Enthalpy of formation: -1078.405 #kJ/mol
- -analytic 5.70778E+0 0E+0 5.34349E+2 0E+0 0E+0
-
-2.000H+ + 1.000Nb(OH)6- - 2.000H2O = Nb(OH)4+
- log_k 6.640 #97PEI/NGU
- delta_h -35.350 #kJ/mol #97PEI/NGU
- # Enthalpy of formation: -1389.355 #kJ/mol
- -analytic 4.46955E-1 0E+0 1.84646E+3 0E+0 0E+0
-
-1.000H+ + 1.000Nb(OH)6- - 1.000H2O = Nb(OH)5
- log_k 5.080 #97PEI/NGU
- delta_h -13.390 #kJ/mol #97PEI/NGU
- # Enthalpy of formation: -1653.225 #kJ/mol
- -analytic 2.73418E+0 0E+0 6.99407E+2 0E+0 0E+0
-
-- 1.000H+ + 1.000Nb(OH)6- + 1.000H2O = Nb(OH)7-2
- log_k -8.880 #97PEI/NGU
- delta_h 10.170 #kJ/mol #97PEI/NGU
- # Enthalpy of formation: -2201.325 #kJ/mol
- -analytic -7.0983E+0 0E+0 -5.31215E+2 0E+0 0E+0
-
-5.000H+ + 1.000Nb(OH)6- + 1.000Cit-3 - 4.000H2O = NbO2(H3Cit)+
- log_k 25.640 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.564E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000H+ + 1.000Nb(OH)6- + 1.000Ox-2 - 4.000H2O = NbO2(HOx)
- log_k 13.700 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.37E+1 0E+0 0E+0 0E+0 0E+0
-
-4.000H+ + 1.000Nb(OH)6- + 2.000Ox-2 - 4.000H2O = NbO2(HOx)2-
- log_k 20.960 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.096E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000H+ + 1.000Nb(OH)6- + 1.000Ox-2 - 4.000H2O = NbO2(Ox)-
- log_k 10.940 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.094E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 1.000Acetate- = Ni(Acetate)+
- log_k 1.340 #11RIC/GRI
- delta_h -28.257 #kJ/mol
- # Enthalpy of formation: -569.279 #kJ/mol
- -analytic -3.61041E+0 0E+0 1.47596E+3 0E+0 0E+0
-
-1.000Ni+2 + 1.000CO3-2 = Ni(CO3)
- log_k 4.200 #03BAE/BRA in 05GAM/BUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.2E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 2.000CO3-2 = Ni(CO3)2-2
- log_k 6.200 #03BAE/BRA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.2E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 1.000Cit-3 = Ni(Cit)-
- log_k 6.760 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.76E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 2.000Cit-3 = Ni(Cit)2-4
- log_k 8.500 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 4.000Cn- = Ni(Cn)4-2
- log_k 30.200
- delta_h -180.700 #kJ/mol #05GAM/BUG
- # Enthalpy of formation: 353.688 #kJ/mol
- -analytic -1.45723E+0 0E+0 9.4386E+3 0E+0 0E+0
-
-1.000Ni+2 + 5.000Cn- = Ni(Cn)5-3
- log_k 28.500
- delta_h -191.100 #kJ/mol #05GAM/BUG
- # Enthalpy of formation: 490.638 #kJ/mol
- -analytic -4.97923E+0 0E+0 9.98183E+3 0E+0 0E+0
-
-1.000Ni+2 + 1.000Edta-4 = Ni(Edta)-2
- log_k 20.540 #05HUM/AND
- delta_h -26.100 #kJ/mol
- # Enthalpy of formation: -1785.912 #kJ/mol
- -analytic 1.59675E+1 0E+0 1.3633E+3 0E+0 0E+0
-
-1.000Ni+2 + 2.000H+ + 1.000Cit-3 = Ni(H2Cit)+
- log_k 13.190 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.319E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 1.000H+ + 1.000CO3-2 = Ni(HCO3)+
- log_k 11.730 #03BAE/BRA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.173E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 1.000H+ + 1.000Cit-3 = Ni(HCit)
- log_k 10.520 #05HUM/BER
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.052E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 1.000H+ + 1.000Edta-4 = Ni(HEdta)-
- log_k 24.200 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.42E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 1.000HIsa- = Ni(HIsa)+
- log_k 2.800 #12GRI/GAR2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.8E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 - 1.000H+ + 1.000H2(PO4)- = Ni(HPO4)
- log_k -4.160 #05GAM/BUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.16E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 2.000HS- = Ni(HS)2
- log_k 11.100 #02HUM/BER
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.11E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 1.000Malonate-2 = Ni(Malonate)
- log_k 4.390 #13GRI/CAM
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.39E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 2.000Malonate-2 = Ni(Malonate)2-2
- log_k 8.150 #98KHA/RAD
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.15E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 1.000NH3 = Ni(NH3)+2
- log_k 2.610 #70LET
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.61E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 2.000NH3 = Ni(NH3)2+2
- log_k 4.760 #70LET
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.76E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 3.000NH3 = Ni(NH3)3+2
- log_k 6.790 #70LET
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 4.000NH3 = Ni(NH3)4+2
- log_k 8.340 #70LET
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.34E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 1.000NO3- = Ni(NO3)+
- log_k 0.500 #05GAM/BUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 2.000NO3- = Ni(NO3)2
- log_k -0.600 #76SMI/MAR in 89BAE/McK
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -6E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 1.000Nta-3 = Ni(Nta)-
- log_k 12.750 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.275E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 2.000Nta-3 = Ni(Nta)2-4
- log_k 16.950 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.695E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Ni(OH)(Nta)-2
- log_k 1.470 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.47E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 - 1.000H+ + 1.000H2O = Ni(OH)+
- log_k -9.540 #05GAM/BUG
- delta_h 53.800 #kJ/mol #05GAM/BUG
- # Enthalpy of formation: -287.042 #kJ/mol
- -analytic -1.14658E-1 0E+0 -2.81017E+3 0E+0 0E+0
-
-1.000Ni+2 - 2.000H+ + 2.000H2O = Ni(OH)2
- log_k -18.000 #49GAY/GAR reevaluated in 05GAM/BUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.8E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 - 3.000H+ + 1.000H2(PO4)- + 2.000H2O = Ni(OH)2(HPO4)-2
- log_k -23.240 #95LEM
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.324E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 1.000HIsa- + 3.000H2O - 3.000H+ = Ni(OH)3(HIsa)-2
- log_k -26.500 #12GRI/GAR2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.65E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 - 3.000H+ + 3.000H2O = Ni(OH)3-
- log_k -29.380 #49GAY/GAR reevaluated in 05GAM/BUG
- delta_h 121.200 #kJ/mol #05GAM/BUG
- # Enthalpy of formation: -791.302 #kJ/mol
- -analytic -8.1467E+0 0E+0 -6.33071E+3 0E+0 0E+0
-
-1.000Ni+2 + 1.000Ox-2 = Ni(Ox)
- log_k 5.190 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -885.672 #kJ/mol
- -analytic 5.19E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 2.000Ox-2 = Ni(Ox)2-2
- log_k 7.640 #05HUM/AND
- delta_h -7.800 #kJ/mol
- # Enthalpy of formation: -1724.132 #kJ/mol
- -analytic 6.2735E+0 0E+0 4.07422E+2 0E+0 0E+0
-
-1.000Ni+2 + 1.000Phthalat-2 = Ni(Phthalat)
- log_k 3.000 #11GRI/COL3
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 1.000Pyrophos-4 = Ni(Pyrophos)-2
- log_k 8.730 #05GAM/BUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.73E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 1.000S2O3-2 = Ni(S2O3)
- log_k 2.060 #51DEU/HEI in 64SIL/MAR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.06E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 1.000SO4-2 = Ni(SO4)
- log_k 2.350 #05GAM/BUG
- delta_h 5.660 #kJ/mol #05GAM/BUG
- # Enthalpy of formation: -958.692 #kJ/mol
- -analytic 3.34159E+0 0E+0 -2.95642E+2 0E+0 0E+0
-
-1.000Ni+2 + 2.000SO4-2 = Ni(SO4)2-2
- log_k 3.010 #89BAE/McK
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.01E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 1.000Scn- = Ni(Scn)+
- log_k 1.810
- delta_h -11.800 #kJ/mol #05GAM/BUG
- # Enthalpy of formation: 9.588 #kJ/mol
- -analytic -2.57268E-1 0E+0 6.16356E+2 0E+0 0E+0
-
-1.000Ni+2 + 2.000Scn- = Ni(Scn)2
- log_k 2.690
- delta_h -21.000 #kJ/mol #05GAM/BUG
- # Enthalpy of formation: 76.788 #kJ/mol
- -analytic -9.89037E-1 0E+0 1.0969E+3 0E+0 0E+0
-
-1.000Ni+2 + 3.000Scn- = Ni(Scn)3-
- log_k 3.020
- delta_h -29.000 #kJ/mol #05GAM/BUG
- # Enthalpy of formation: 145.188 #kJ/mol
- -analytic -2.06057E+0 0E+0 1.51477E+3 0E+0 0E+0
-
-1.000Ni+2 + 1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 = Ni(SeCn)+
- log_k 57.790
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.779E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 2.000H+ + 2.000Cn- + 2.000HSe- - 2.000H2O + 1.000O2 = Ni(SeCn)2
- log_k 114.270
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.1427E+2 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 1.000SeO4-2 = Ni(SeO4)
- log_k 2.670 #05OLI/NOL
- delta_h -0.675 #kJ/mol
- # Enthalpy of formation: -659.187 #kJ/mol
- -analytic 2.55175E+0 0E+0 3.52577E+1 0E+0 0E+0
-
-2.000Ni+2 - 1.000H+ + 1.000H2O = Ni2(OH)+3
- log_k -10.600 #05GAM/BUG
- delta_h 45.900 #kJ/mol #05GAM/BUG
- # Enthalpy of formation: -349.954 #kJ/mol
- -analytic -2.55868E+0 0E+0 -2.39752E+3 0E+0 0E+0
-
-4.000Ni+2 - 4.000H+ + 4.000H2O = Ni4(OH)4+4
- log_k -27.520 #05GAM/BUG
- delta_h 190.000 #kJ/mol #05GAM/BUG
- # Enthalpy of formation: -1173.368 #kJ/mol
- -analytic 5.76652E+0 0E+0 -9.92438E+3 0E+0 0E+0
-
-1.000Ni+2 + 1.000Cl- = NiCl+
- log_k 0.080 #05GAM/BUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8E-2 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 1.000F- = NiF+
- log_k 1.430 #05GAM/BUG
- delta_h 9.500 #kJ/mol #05GAM/BUG
- # Enthalpy of formation: -380.862 #kJ/mol
- -analytic 3.09433E+0 0E+0 -4.96219E+2 0E+0 0E+0
-
-1.000Ni+2 + 1.000H+ + 1.000AsO4-3 = NiHAsO4
- log_k 14.500
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.45E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 1.000H+ + 1.000Pyrophos-4 = NiHPyrophos-
- log_k 14.540 #05GAM/BUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.454E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2 + 1.000HS- = NiHS+
- log_k 5.500 #02HUM/BER
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4 + 1.000Acetate- = Np(Acetate)+3
- log_k 5.830 #12GRI/GAR2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.83E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4 + 2.000Acetate- = Np(Acetate)2+2
- log_k 10.000 #11RIC/GRI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4 - 3.000H+ + 1.000CO3-2 + 3.000H2O = Np(CO3)(OH)3-
- log_k 3.820 #93ERI/NDA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.82E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+3 + 1.000CO3-2 = Np(CO3)+
- log_k 7.670 #Estimated by correlation with An(III) in function of ionic radii
- delta_h 156.370 #kJ/mol
- # Enthalpy of formation: -1046.044 #kJ/mol
- -analytic 3.50648E+1 0E+0 -8.16776E+3 0E+0 0E+0
-
-1.000Np+3 + 2.000CO3-2 = Np(CO3)2-
- log_k 12.600 #Estimated by correlation with An(III) in function of ionic radii
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.26E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+3 + 3.000CO3-2 = Np(CO3)3-3
- log_k 15.660 #01LEM/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.566E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4 + 4.000CO3-2 = Np(CO3)4-4
- log_k 36.680 #01LEM/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.668E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4 + 5.000CO3-2 = Np(CO3)5-6
- log_k 35.610 #01LEM/FUG
- delta_h -1.612 #kJ/mol
- # Enthalpy of formation: -3933.784 #kJ/mol
- -analytic 3.53276E+1 0E+0 8.42005E+1 0E+0 0E+0
-
-1.000Np+4 + 1.000Edta-4 = Np(Edta)
- log_k 31.200 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.12E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+3 + 1.000Edta-4 = Np(Edta)-
- log_k 19.900
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.99E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+3 - 2.000H+ + 2.000H2(PO4)- = Np(HPO4)2-
- log_k -5.380 #Estimated by correlation with An(III) in function of ionic radii
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -5.38E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4 + 1.000NO3- = Np(NO3)+3
- log_k 1.900 #01LEM/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+3 + 1.000Nta-3 = Np(Nta)
- log_k 13.000 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4 + 1.000Nta-3 = Np(Nta)+
- log_k 20.700 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.07E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4 + 2.000Nta-3 = Np(Nta)2-2
- log_k 36.300 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.63E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+3 - 1.000H+ + 1.000H2O = Np(OH)+2
- log_k -6.800 #01LEM/FUG
- delta_h 77.089 #kJ/mol
- # Enthalpy of formation: -735.925 #kJ/mol
- -analytic 6.70539E+0 0E+0 -4.02663E+3 0E+0 0E+0
-
-1.000Np+4 - 1.000H+ + 1.000H2O = Np(OH)+3
- log_k 0.550 #03GUI/FAN
- delta_h 38.192 #kJ/mol
- # Enthalpy of formation: -803.66 #kJ/mol
- -analytic 7.24094E+0 0E+0 -1.9949E+3 0E+0 0E+0
-
-1.000Np+4 - 2.000H+ + 2.000CO3-2 + 2.000H2O = Np(OH)2(CO3)2-2
- log_k 15.170 #99RAI/HES2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.517E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+3 - 2.000H+ + 2.000H2O = Np(OH)2+
- log_k -17.000 #80ALL/KIP
- delta_h 155.529 #kJ/mol
- # Enthalpy of formation: -943.315 #kJ/mol
- -analytic 1.02475E+1 0E+0 -8.12383E+3 0E+0 0E+0
-
-1.000Np+4 - 2.000H+ + 2.000H2O = Np(OH)2+2
- log_k 0.350 #03GUI/FAN
- delta_h 54.530 #kJ/mol
- # Enthalpy of formation: -1073.152 #kJ/mol
- -analytic 9.90323E+0 0E+0 -2.8483E+3 0E+0 0E+0
-
-1.000Np+3 - 3.000H+ + 3.000H2O = Np(OH)3
- log_k -27.000 #80ALL/KIP
- delta_h 235.824 #kJ/mol
- # Enthalpy of formation: -1148.85 #kJ/mol
- -analytic 1.43145E+1 0E+0 -1.23179E+4 0E+0 0E+0
-
-1.000Np+4 - 3.000H+ + 1.000HGlu- + 3.000H2O = Np(OH)3(HGlu)
- log_k 3.270 #06GAO/MON
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.27E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4 - 3.000H+ + 1.000HIsa- + 3.000H2O = Np(OH)3(HIsa)
- log_k 3.270 #06GAO/MON
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.27E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4 - 3.000H+ + 2.000HIsa- + 3.000H2O = Np(OH)3(HIsa)2-
- log_k 5.380 #06GAO/MON
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.38E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4 - 3.000H+ + 3.000H2O = Np(OH)3+
- log_k -2.800 #01NEC/KIM, 99NEC
- delta_h 74.932 #kJ/mol
- # Enthalpy of formation: -1338.58 #kJ/mol
- -analytic 1.03275E+1 0E+0 -3.91397E+3 0E+0 0E+0
-
-1.000Np+4 - 4.000H+ + 4.000H2O = Np(OH)4
- log_k -8.300 #03GUI/FAN
- delta_h 101.442 #kJ/mol
- # Enthalpy of formation: -1597.9 #kJ/mol
- -analytic 9.47185E+0 0E+0 -5.29868E+3 0E+0 0E+0
-
-1.000Np+4 - 4.000H+ + 1.000CO3-2 + 4.000H2O = Np(OH)4(CO3)-2
- log_k -6.830 #93ERI/NDA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -6.83E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = Np(OH)4(HGlu)-
- log_k -3.700 #06GAO/MON
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = Np(OH)4(HIsa)-
- log_k -4.060 #06GAO/MON
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.06E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4 - 4.000H+ + 2.000HIsa- + 4.000H2O = Np(OH)4(HIsa)2-2
- log_k -2.200 #06GAO/MON
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.2E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4 + 1.000Ox-2 = Np(Ox)+2
- log_k 11.160 #12GRI/GAR2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.116E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4 + 2.000Ox-2 = Np(Ox)2
- log_k 19.940 #12GRI/GAR2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.994E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4 + 3.000Ox-2 = Np(Ox)3-2
- log_k 25.190 #12GRI/GAR2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.519E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+3 - 4.000H+ + 2.000H2(PO4)- = Np(PO4)2-3
- log_k -19.570 #Estimated by correlation with An(III) in function of ionic radii
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.957E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+3 + 1.000SO4-2 = Np(SO4)+
- log_k 3.860 #Estimated by correlation with An(III) in function of ionic radii
- delta_h 17.889 #kJ/mol
- # Enthalpy of formation: -1418.638 #kJ/mol
- -analytic 6.99401E+0 0E+0 -9.34406E+2 0E+0 0E+0
-
-1.000Np+4 + 1.000SO4-2 = Np(SO4)+2
- log_k 6.850 #01LEM/FUG
- delta_h 29.840 #kJ/mol #01LEM/FUG
- # Enthalpy of formation: -1435.522 #kJ/mol #01LEM/FUG
- -analytic 1.20777E+1 0E+0 -1.55865E+3 0E+0 0E+0
-
-1.000Np+4 + 2.000SO4-2 = Np(SO4)2
- log_k 11.050 #01LEM/FUG
- delta_h 55.380 #kJ/mol #01LEM/FUG
- # Enthalpy of formation: -2319.322 #kJ/mol
- -analytic 2.07521E+1 0E+0 -2.89269E+3 0E+0 0E+0
-
-1.000Np+3 + 2.000SO4-2 = Np(SO4)2-
- log_k 5.560 #Estimated by correlation with An(III) in function of ionic radii
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.56E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4 + 1.000Br- = NpBr+3
- log_k 1.550 #Estimated by correlation with An(IV) in function of ionic radii
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.55E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4 + 1.000Cl- = NpCl+3
- log_k 1.500 #01LEM/FUG
- delta_h 24.173 #kJ/mol
- # Enthalpy of formation: -698.929 #kJ/mol
- -analytic 5.73492E+0 0E+0 -1.26264E+3 0E+0 0E+0
-
-1.000Np+4 + 1.000F- = NpF+3
- log_k 8.960 #01LEM/FUG
- delta_h 1.500 #kJ/mol #01LEM/FUG
- # Enthalpy of formation: -889.872 #kJ/mol
- -analytic 9.22279E+0 0E+0 -7.83503E+1 0E+0 0E+0
-
-1.000Np+4 + 2.000F- = NpF2+2
- log_k 15.700 #01LEM/FUG
- delta_h 15.930 #kJ/mol
- # Enthalpy of formation: -1210.792 #kJ/mol
- -analytic 1.84908E+1 0E+0 -8.32081E+2 0E+0 0E+0
-
-1.000Np+4 + 3.000F- = NpF3+
- log_k 20.050 #01LEM/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.005E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4 + 4.000F- = NpF4
- log_k 25.950 #01LEM/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.595E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+3 - 1.000H+ + 1.000H2(PO4)- = NpHPO4+
- log_k -1.780 #Estimated by correlation with An(III) in function of ionic radii
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.78E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4 + 1.000I- = NpI+3
- log_k 1.500 #01LEM/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+ + 1.000Acetate- = NpO2(Acetate)
- log_k 1.320 #11RIC/GRI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.32E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+ + 2.000Acetate- = NpO2(Acetate)2-
- log_k 3.420 #09TAK/TAK
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.42E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+ + 3.000Acetate- = NpO2(Acetate)3-2
- log_k 3.570 #09TAK/TAK
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.57E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+2 + 1.000CO3-2 = NpO2(CO3)
- log_k 9.320 #01LEM/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.32E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+2 - 2.000H+ + 1.000CO3-2 + 2.000H2O = NpO2(CO3)(OH)2-2
- log_k -7.690 #99CHO/BRO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -7.69E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+ + 1.000CO3-2 = NpO2(CO3)-
- log_k 4.960 #01LEM/FUG
- delta_h 59.904 #kJ/mol
- # Enthalpy of formation: -1593.507 #kJ/mol
- -analytic 1.54547E+1 0E+0 -3.129E+3 0E+0 0E+0
-
-1.000NpO2+2 + 2.000CO3-2 = NpO2(CO3)2-2
- log_k 16.520 #01LEM/FUG
- delta_h 13.776 #kJ/mol
- # Enthalpy of formation: -2197.417 #kJ/mol
- -analytic 1.89334E+1 0E+0 -7.1957E+2 0E+0 0E+0
-
-1.000NpO2+ + 2.000CO3-2 = NpO2(CO3)2-3
- log_k 6.530 #01LEM/FUG
- delta_h 39.027 #kJ/mol
- # Enthalpy of formation: -2289.614 #kJ/mol
- -analytic 1.33672E+1 0E+0 -2.03852E+3 0E+0 0E+0
-
-1.000NpO2+ - 1.000H+ + 2.000CO3-2 + 1.000H2O = NpO2(CO3)2OH-4
- log_k -5.310 #01LEM/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -5.31E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+2 + 3.000CO3-2 = NpO2(CO3)3-4
- log_k 19.370
- delta_h -41.900 #kJ/mol
- # Enthalpy of formation: -2928.323 #kJ/mol #01LEM/FUG
- -analytic 1.20294E+1 0E+0 2.18859E+3 0E+0 0E+0
-
-1.000NpO2+ + 3.000CO3-2 = NpO2(CO3)3-5
- log_k 5.500
- delta_h -13.249 #kJ/mol
- # Enthalpy of formation: -3017.12 #kJ/mol #01LEM/FUG
- -analytic 3.17888E+0 0E+0 6.92042E+2 0E+0 0E+0
-
-1.000NpO2+ + 1.000Cit-3 = NpO2(Cit)-2
- log_k 3.680 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.68E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+ + 1.000Edta-4 = NpO2(Edta)-3
- log_k 9.230 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.23E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+ + 2.000H+ + 1.000Edta-4 = NpO2(H2Edta)-
- log_k 22.510 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.251E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+ + 1.000H+ + 1.000Edta-4 = NpO2(HEdta)-2
- log_k 17.060 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.706E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+ + 1.000H+ + 1.000Nta-3 = NpO2(HNta)-
- log_k 11.700 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.17E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+2 - 1.000H+ + 1.000H2(PO4)- = NpO2(HPO4)
- log_k -1.010 #01LEM/FUG
- delta_h 92.209 #kJ/mol
- # Enthalpy of formation: -2071.124 #kJ/mol
- -analytic 1.51443E+1 0E+0 -4.8164E+3 0E+0 0E+0
-
-1.000NpO2+2 - 2.000H+ + 2.000H2(PO4)- = NpO2(HPO4)2-2
- log_k -4.920 #01LEM/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.92E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+2 + 1.000NO3- = NpO2(NO3)+
- log_k 0.100 #12GRI/GAR2 in analogy to UO2(NO3)+
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+2 + 1.000Nta-3 = NpO2(Nta)-
- log_k 11.000 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.1E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+ + 1.000Nta-3 = NpO2(Nta)-2
- log_k 7.460 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 7.46E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+ - 1.000H+ + 1.000H2O = NpO2(OH)
- log_k -11.300 #01LEM/FUG
- delta_h 64.785 #kJ/mol
- # Enthalpy of formation: -1199.226 #kJ/mol
- -analytic 4.98281E-2 0E+0 -3.38395E+3 0E+0 0E+0
-
-1.000NpO2+ - 1.000H+ + 1.000Nta-3 + 1.000H2O = NpO2(OH)(Nta)-3
- log_k -4.700 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+2 - 1.000H+ + 1.000H2O = NpO2(OH)+
- log_k -5.100 #01LEM/FUG
- delta_h 42.957 #kJ/mol
- # Enthalpy of formation: -1103.606 #kJ/mol
- -analytic 2.42573E+0 0E+0 -2.2438E+3 0E+0 0E+0
-
-1.000NpO2+2 - 2.000H+ + 2.000H2O = NpO2(OH)2
- log_k -12.210 #Estimated by correlation with An(VI) in funciton of ionic radii
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.221E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+ - 2.000H+ + 2.000H2O = NpO2(OH)2-
- log_k -23.600 #01LEM/FUG
- delta_h 118.610 #kJ/mol
- # Enthalpy of formation: -1431.23 #kJ/mol
- -analytic -2.82045E+0 0E+0 -6.19542E+3 0E+0 0E+0
-
-1.000NpO2+ + 1.000Ox-2 = NpO2(Ox)-
- log_k 3.900 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+ + 2.000Ox-2 = NpO2(Ox)2-3
- log_k 5.800 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.8E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+2 + 1.000SO4-2 = NpO2(SO4)
- log_k 3.280 #01LEM/FUG
- delta_h 16.700 #kJ/mol #01LEM/FUG
- # Enthalpy of formation: -1753.373 #kJ/mol
- -analytic 6.20571E+0 0E+0 -8.723E+2 0E+0 0E+0
-
-1.000NpO2+ + 1.000SO4-2 = NpO2(SO4)-
- log_k 0.440 #01LEM/FUG
- delta_h 23.200 #kJ/mol #01LEM/FUG
- # Enthalpy of formation: -1864.321 #kJ/mol
- -analytic 4.50446E+0 0E+0 -1.21182E+3 0E+0 0E+0
-
-1.000NpO2+2 + 2.000SO4-2 = NpO2(SO4)2-2
- log_k 4.700 #01LEM/FUG
- delta_h 26.000 #kJ/mol #01LEM/FUG
- # Enthalpy of formation: -2653.413 #kJ/mol
- -analytic 9.255E+0 0E+0 -1.35807E+3 0E+0 0E+0
-
-1.000NpO2+ + 1.000Cl- = NpO2Cl
- log_k -0.930 #94NEC/KIM
- delta_h 25.972 #kJ/mol
- # Enthalpy of formation: -1119.289 #kJ/mol
- -analytic 3.62009E+0 0E+0 -1.35661E+3 0E+0 0E+0
-
-1.000NpO2+2 + 1.000Cl- = NpO2Cl+
- log_k 0.400 #01LEM/FUG
- delta_h 8.387 #kJ/mol
- # Enthalpy of formation: -1019.426 #kJ/mol
- -analytic 1.86934E+0 0E+0 -4.38083E+2 0E+0 0E+0
-
-1.000NpO2+ + 1.000F- = NpO2F
- log_k 1.200 #01LEM/FUG
- delta_h 40.768 #kJ/mol
- # Enthalpy of formation: -1272.763 #kJ/mol
- -analytic 8.34224E+0 0E+0 -2.12946E+3 0E+0 0E+0
-
-1.000NpO2+2 + 1.000F- = NpO2F+
- log_k 4.570 #01LEM/FUG
- delta_h 1.400 #kJ/mol
- # Enthalpy of formation: -1194.683 #kJ/mol
- -analytic 4.81527E+0 0E+0 -7.3127E+1 0E+0 0E+0
-
-1.000NpO2+2 + 2.000F- = NpO2F2
- log_k 7.600 #01LEM/FUG
- delta_h 4.321 #kJ/mol
- # Enthalpy of formation: -1527.112 #kJ/mol
- -analytic 8.35701E+0 0E+0 -2.25701E+2 0E+0 0E+0
-
-1.000NpO2+2 + 1.000H2(PO4)- = NpO2H2PO4+
- log_k 3.320 #01LEM/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.32E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+ - 1.000H+ + 1.000H2(PO4)- = NpO2HPO4-
- log_k -4.260 #03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.26E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+3 - 2.000H+ + 1.000H2(PO4)- = NpPO4
- log_k -7.830 #Estimated by correlation with An(III) in function of ionic radii
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -7.83E+0 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+ + 1.000H2O = OH-
- log_k -14.000
- delta_h 55.815 #kJ/mol
- # Enthalpy of formation: -230.015 #kJ/mol #89COX/WAG
- -analytic -4.22165E+0 0E+0 -2.91542E+3 0E+0 0E+0
-
-- 2.000H+ + 1.000H2(PO4)- = PO4-3
- log_k -19.560 #89COX/WAG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -1284.4 #kJ/mol #89COX/WAG
- -analytic -1.956E+1 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+ + 1.000Pa+4 + 1.000H2O = Pa(OH)+3
- log_k 0.840 #76BAE/MES
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.4E-1 0E+0 0E+0 0E+0 0E+0
-
-- 2.000H+ + 1.000Pa+4 + 2.000H2O = Pa(OH)2+2
- log_k -0.020 #76BAE/MES
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2E-2 0E+0 0E+0 0E+0 0E+0
-
-- 3.000H+ + 1.000Pa+4 + 3.000H2O = Pa(OH)3+
- log_k -1.500 #76BAE/MES
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H+ + 1.000PaO2+ = PaO(OH)+2
- log_k 1.250 #Original data 03TRU/LEN and 04FOU/PER
- delta_h -5.700 #kJ/mol #03TRU/LEN
- # Enthalpy of formation: #kJ/mol
- -analytic 2.51404E-1 0E+0 2.97731E+2 0E+0 0E+0
-
-2.000H+ + 1.000SO4-2 + 1.000PaO2+ - 1.000H2O = PaO(SO4)+
- log_k 5.130 #07GIA/TRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.13E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000H+ + 2.000SO4-2 + 1.000PaO2+ - 1.000H2O = PaO(SO4)2-
- log_k 8.240 #07GIA/TRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.24E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000H+ + 3.000SO4-2 + 1.000PaO2+ - 1.000H2O = PaO(SO4)3-3
- log_k 9.830 #07GIA/TRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.83E+0 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+ + 1.000PaO2+ + 1.000H2O = PaO2(OH)
- log_k -7.000 #Original data 03TRU/LEN and 04FOU/PER
- delta_h 61.000 #kJ/mol #03TRU/LEN
- # Enthalpy of formation: #kJ/mol
- -analytic 3.68673E+0 0E+0 -3.18625E+3 0E+0 0E+0
-
-- 2.000H+ + 1.000PaO2+ + 2.000H2O = PaO2(OH)2-
- log_k -16.400 #04FOU/PER
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.64E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pb+2 + 1.000B(OH)4- = Pb(B(OH)4)+
- log_k 5.200 #80BAS
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.2E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pb+2 + 3.000B(OH)4- = Pb(B(OH)4)3-
- log_k 11.180 #80BAS
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.118E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pb+2 + 1.000CO3-2 = Pb(CO3)
- log_k 7.000 #06BLA/PIA
- delta_h -3.015 #kJ/mol
- # Enthalpy of formation: -677.325 #kJ/mol
- -analytic 6.4718E+0 0E+0 1.57484E+2 0E+0 0E+0
-
-1.000Pb+2 + 2.000CO3-2 = Pb(CO3)2-2
- log_k 10.130 #99LOT/OCH
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.013E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pb+2 + 1.000H2(PO4)- = Pb(H2PO4)+
- log_k 1.500 #74NRI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pb+2 + 2.000HS- = Pb(HS)2
- log_k 15.010 #06BLA/PIA
- delta_h -65.579 #kJ/mol
- # Enthalpy of formation: -97.259 #kJ/mol
- -analytic 3.52107E+0 0E+0 3.42542E+3 0E+0 0E+0
-
-1.000Pb+2 + 3.000HS- = Pb(HS)3-
- log_k 16.260 #06BLA/PIA
- delta_h -73.328 #kJ/mol
- # Enthalpy of formation: -121.308 #kJ/mol
- -analytic 3.4135E+0 0E+0 3.83018E+3 0E+0 0E+0
-
-1.000Pb+2 + 1.000NO3- = Pb(NO3)+
- log_k 1.060 #99LOT/OCH
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.06E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pb+2 + 2.000NO3- = Pb(NO3)2
- log_k 1.480 #99LOT/OCH
- delta_h -11.012 #kJ/mol
- # Enthalpy of formation: 401.768 #kJ/mol
- -analytic -4.49217E-1 0E+0 5.75196E+2 0E+0 0E+0
-
-1.000Pb+2 - 1.000H+ + 1.000H2O = Pb(OH)+
- log_k -7.510 #99LOT/OCH
- delta_h 53.920 #kJ/mol
- # Enthalpy of formation: -230.99 #kJ/mol
- -analytic 1.93636E+0 0E+0 -2.81643E+3 0E+0 0E+0
-
-1.000Pb+2 - 2.000H+ + 2.000H2O = Pb(OH)2
- log_k -16.950 #99LOT/OCH
- delta_h 97.824 #kJ/mol
- # Enthalpy of formation: -472.916 #kJ/mol
- -analytic 1.88004E-1 0E+0 -5.1097E+3 0E+0 0E+0
-
-1.000Pb+2 - 3.000H+ + 3.000H2O = Pb(OH)3-
- log_k -27.200 #01PER/HEF
- delta_h 130.485 #kJ/mol
- # Enthalpy of formation: -726.085 #kJ/mol
- -analytic -4.34004E+0 0E+0 -6.8157E+3 0E+0 0E+0
-
-1.000Pb+2 - 4.000H+ + 4.000H2O = Pb(OH)4-2
- log_k -38.900 #01PER/HEF
- delta_h 197.474 #kJ/mol
- # Enthalpy of formation: -944.926 #kJ/mol
- -analytic -4.30409E+0 0E+0 -1.03148E+4 0E+0 0E+0
-
-1.000Pb+2 + 1.000SO4-2 = Pb(SO4)
- log_k 2.820 #99LOT/OCH
- delta_h 6.861 #kJ/mol
- # Enthalpy of formation: -901.559 #kJ/mol
- -analytic 4.02199E+0 0E+0 -3.58374E+2 0E+0 0E+0
-
-1.000Pb+2 + 2.000SO4-2 = Pb(SO4)2-2
- log_k 3.470 #97MAR/SMI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.47E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pb+2 + 1.000SeO3-2 = Pb(SeO3)
- log_k 5.730 #01SEB/POT2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.73E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000Pb+2 - 1.000H+ + 1.000H2O = Pb2(OH)+3
- log_k -7.180 #99LOT/OCH
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -7.18E+0 0E+0 0E+0 0E+0 0E+0
-
-4.000Pb+2 - 4.000H+ + 4.000H2O = Pb4(OH)4+4
- log_k -20.630 #99LOT/OCH
- delta_h 82.038 #kJ/mol
- # Enthalpy of formation: -1057.602 #kJ/mol
- -analytic -6.25758E+0 0E+0 -4.28514E+3 0E+0 0E+0
-
-6.000Pb+2 - 8.000H+ + 8.000H2O = Pb6(OH)8+4
- log_k -42.680 #99LOT/OCH
- delta_h 192.157 #kJ/mol
- # Enthalpy of formation: -2088.963 #kJ/mol
- -analytic -9.01559E+0 0E+0 -1.0037E+4 0E+0 0E+0
-
-1.000Pb+2 + 1.000Br- = PbBr+
- log_k 1.700 #82H¿G
- delta_h 4.228 #kJ/mol
- # Enthalpy of formation: -116.262 #kJ/mol
- -analytic 2.44071E+0 0E+0 -2.20843E+2 0E+0 0E+0
-
-1.000Pb+2 + 2.000Br- = PbBr2
- log_k 1.900 #82H¿G
- delta_h 10.991 #kJ/mol
- # Enthalpy of formation: -230.909 #kJ/mol
- -analytic 3.82554E+0 0E+0 -5.74099E+2 0E+0 0E+0
-
-1.000Pb+2 + 3.000Br- = PbBr3-
- log_k 2.900 #82H¿G
- delta_h 10.653 #kJ/mol
- # Enthalpy of formation: -352.657 #kJ/mol
- -analytic 4.76632E+0 0E+0 -5.56444E+2 0E+0 0E+0
-
-1.000Pb+2 + 1.000Cl- = PbCl+
- log_k 1.440 #97SVE/SHO
- delta_h 4.318 #kJ/mol
- # Enthalpy of formation: -161.842 #kJ/mol
- -analytic 2.19648E+0 0E+0 -2.25545E+2 0E+0 0E+0
-
-1.000Pb+2 + 2.000Cl- = PbCl2
- log_k 2.000 #97SVE/SHO
- delta_h 7.949 #kJ/mol
- # Enthalpy of formation: -325.291 #kJ/mol
- -analytic 3.3926E+0 0E+0 -4.15205E+2 0E+0 0E+0
-
-1.000Pb+2 + 3.000Cl- = PbCl3-
- log_k 1.690 #97SVE/SHO
- delta_h 7.813 #kJ/mol
- # Enthalpy of formation: -492.507 #kJ/mol
- -analytic 3.05878E+0 0E+0 -4.08101E+2 0E+0 0E+0
-
-1.000Pb+2 + 4.000Cl- = PbCl4-2
- log_k 1.400 #97SVE/SHO
- delta_h 1.323 #kJ/mol
- # Enthalpy of formation: -666.077 #kJ/mol
- -analytic 1.63178E+0 0E+0 -6.9105E+1 0E+0 0E+0
-
-1.000Pb+2 + 1.000F- = PbF+
- log_k 2.270 #99LOT/OCH
- delta_h -4.054 #kJ/mol
- # Enthalpy of formation: -338.484 #kJ/mol
- -analytic 1.55977E+0 0E+0 2.11755E+2 0E+0 0E+0
-
-1.000Pb+2 + 2.000F- = PbF2
- log_k 3.010 #99LOT/OCH
- delta_h -8.881 #kJ/mol
- # Enthalpy of formation: -678.661 #kJ/mol
- -analytic 1.45412E+0 0E+0 4.63886E+2 0E+0 0E+0
-
-1.000Pb+2 - 1.000H+ + 1.000H2(PO4)- = PbHPO4
- log_k -4.110 #74NRI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.11E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pb+2 + 1.000I- = PbI+
- log_k 1.980 #82H¿G
- delta_h 3.874 #kJ/mol
- # Enthalpy of formation: -51.986 #kJ/mol
- -analytic 2.65869E+0 0E+0 -2.02353E+2 0E+0 0E+0
-
-1.000Pb+2 + 2.000I- = PbI2
- log_k 3.150 #82H¿G
- delta_h 7.106 #kJ/mol
- # Enthalpy of formation: -105.534 #kJ/mol
- -analytic 4.39492E+0 0E+0 -3.71172E+2 0E+0 0E+0
-
-1.000Pb+2 + 3.000I- = PbI3-
- log_k 3.810 #82H¿G
- delta_h 3.163 #kJ/mol
- # Enthalpy of formation: -166.257 #kJ/mol
- -analytic 4.36413E+0 0E+0 -1.65215E+2 0E+0 0E+0
-
-1.000Pb+2 + 4.000I- = PbI4-2
- log_k 3.750 #82H¿G
- delta_h -15.561 #kJ/mol
- # Enthalpy of formation: -241.761 #kJ/mol
- -analytic 1.02383E+0 0E+0 8.12806E+2 0E+0 0E+0
-
-1.000Pb+2 + 1.000Pyrophos-4 = PbPyrophos-2
- log_k 8.330
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.33E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pd+2 + 1.000CO3-2 = Pd(CO3)
- log_k 6.830 #87BRO/WAN
- delta_h -8.829 #kJ/mol
- # Enthalpy of formation: -494.175 #kJ/mol
- -analytic 5.28323E+0 0E+0 4.6117E+2 0E+0 0E+0
-
-1.000Pd+2 + 2.000CO3-2 = Pd(CO3)2-2
- log_k 12.530 #87BRO/WAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.253E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pd+2 + 1.000NH3 = Pd(NH3)+2
- log_k 9.600 #68RAS/JOR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.6E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pd+2 + 2.000NH3 = Pd(NH3)2+2
- log_k 18.500 #68RAS/JOR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.85E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pd+2 + 3.000NH3 = Pd(NH3)3+2
- log_k 26.000 #68RAS/JOR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.6E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pd+2 + 4.000NH3 = Pd(NH3)4+2
- log_k 32.800 #68RAS/JOR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.28E+1 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+ + 1.000Pd+2 + 1.000H2O = Pd(OH)+
- log_k -1.860 #70NAB/KAL
- delta_h 11.900 #kJ/mol
- # Enthalpy of formation: -84.047 #kJ/mol
- -analytic 2.24787E-1 0E+0 -6.21579E+2 0E+0 0E+0
-
-- 2.000H+ + 1.000Pd+2 + 2.000H2O = Pd(OH)2
- log_k -3.790 #70NAB/KAL
- delta_h 15.293 #kJ/mol
- # Enthalpy of formation: -366.483 #kJ/mol
- -analytic -1.11079E+0 0E+0 -7.98808E+2 0E+0 0E+0
-
-- 3.000H+ + 1.000Pd+2 + 3.000H2O = Pd(OH)3-
- log_k -15.930 #70NAB/KAL
- delta_h 54.863 #kJ/mol
- # Enthalpy of formation: -612.744 #kJ/mol
- -analytic -6.31843E+0 0E+0 -2.86569E+3 0E+0 0E+0
-
-- 4.000H+ + 1.000Pd+2 + 4.000H2O = Pd(OH)4-2
- log_k -29.360 #70NAB/KAL
- delta_h 118.563 #kJ/mol
- # Enthalpy of formation: -834.874 #kJ/mol
- -analytic -8.58868E+0 0E+0 -6.19297E+3 0E+0 0E+0
-
-1.000Pd+2 + 1.000SO4-2 = Pd(SO4)
- log_k 2.910 #87BRO/WAN
- delta_h 4.596 #kJ/mol
- # Enthalpy of formation: -714.86 #kJ/mol
- -analytic 3.71518E+0 0E+0 -2.40065E+2 0E+0 0E+0
-
-1.000Pd+2 + 2.000SO4-2 = Pd(SO4)2-2
- log_k 4.170 #82HOG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.17E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pd+2 + 1.000Br- = PdBr+
- log_k 5.770 #72ELD
- delta_h -30.140 #kJ/mol
- # Enthalpy of formation: 38.344 #kJ/mol
- -analytic 4.89706E-1 0E+0 1.57432E+3 0E+0 0E+0
-
-1.000Pd+2 + 2.000Br- = PdBr2
- log_k 10.060 #72ELD
- delta_h -57.708 #kJ/mol
- # Enthalpy of formation: -110.645 #kJ/mol
- -analytic -4.99928E-2 0E+0 3.01429E+3 0E+0 0E+0
-
-1.000Pd+2 + 3.000Br- = PdBr3-
- log_k 13.750 #72ELD
- delta_h -92.385 #kJ/mol
- # Enthalpy of formation: -266.731 #kJ/mol
- -analytic -2.43513E+0 0E+0 4.8256E+3 0E+0 0E+0
-
-1.000Pd+2 + 4.000Br- = PdBr4-2
- log_k 15.110 #72ELD
- delta_h -126.683 #kJ/mol
- # Enthalpy of formation: -422.439 #kJ/mol
- -analytic -7.08388E+0 0E+0 6.6171E+3 0E+0 0E+0
-
-1.000Pd+2 + 1.000Cl- = PdCl+
- log_k 5.100 #99LOT/OCH
- delta_h -24.542 #kJ/mol
- # Enthalpy of formation: -1.739 #kJ/mol
- -analytic 8.00432E-1 0E+0 1.28192E+3 0E+0 0E+0
-
-1.000Pd+2 + 2.000Cl- = PdCl2
- log_k 8.300 #99LOT/OCH
- delta_h -47.297 #kJ/mol
- # Enthalpy of formation: -191.573 #kJ/mol
- -analytic 1.39334E-2 0E+0 2.47049E+3 0E+0 0E+0
-
-- 1.000H+ + 1.000Pd+2 + 3.000Cl- + 1.000H2O = PdCl3(OH)-2
- log_k 2.310 #00BYR/YAO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.31E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pd+2 + 3.000Cl- = PdCl3-
- log_k 10.900 #99LOT/OCH
- delta_h -77.344 #kJ/mol
- # Enthalpy of formation: -388.7 #kJ/mol
- -analytic -2.65007E+0 0E+0 4.03995E+3 0E+0 0E+0
-
-1.000Pd+2 + 4.000Cl- = PdCl4-2
- log_k 11.700 #99LOT/OCH
- delta_h -112.469 #kJ/mol
- # Enthalpy of formation: -590.906 #kJ/mol
- -analytic -8.00369E+0 0E+0 5.87466E+3 0E+0 0E+0
-
-1.000Pd+2 + 1.000I- = PdI+
- log_k 10.400 #89BAE/McK
- delta_h -58.201 #kJ/mol
- # Enthalpy of formation: 74.902 #kJ/mol
- -analytic 2.03637E-1 0E+0 3.04005E+3 0E+0 0E+0
-
-1.000Pd+2 + 2.000I- = PdI2
- log_k 14.500 #97BOU
- delta_h -83.420 #kJ/mol
- # Enthalpy of formation: -7.096 #kJ/mol
- -analytic -1.14535E-1 0E+0 4.35732E+3 0E+0 0E+0
-
-1.000Pd+2 + 3.000I- = PdI3-
- log_k 18.600 #97BOU
- delta_h -121.750 #kJ/mol
- # Enthalpy of formation: -102.207 #kJ/mol
- -analytic -2.72965E+0 0E+0 6.35944E+3 0E+0 0E+0
-
-1.000Pd+2 + 4.000I- = PdI4-2
- log_k 24.640
- delta_h -190.052 #kJ/mol
- # Enthalpy of formation: -227.288 #kJ/mol
- -analytic -8.65563E+0 0E+0 9.92709E+3 0E+0 0E+0
-
-1.000Pu+3 + 1.000Acetate- = Pu(Acetate)+2
- log_k 2.850 #69MOS
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.85E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4 + 1.000Acetate- = Pu(Acetate)+3
- log_k 5.930 #62SCH/NEB
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.93E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3 + 2.000Acetate- = Pu(Acetate)2+
- log_k 5.060 #69MOS
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.06E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4 + 2.000Acetate- = Pu(Acetate)2+2
- log_k 10.090 #62SCH/NEB
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.009E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3 + 3.000Acetate- = Pu(Acetate)3
- log_k 6.570 #69MOS
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.57E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3 + 1.000CO3-2 = Pu(CO3)+
- log_k 7.640 #Estimated by correlation with An(III) in function of ionic radii
- delta_h 152.754 #kJ/mol
- # Enthalpy of formation: -1114.266 #kJ/mol
- -analytic 3.44013E+1 0E+0 -7.97889E+3 0E+0 0E+0
-
-1.000Pu+4 - 2.000H+ + 2.000CO3-2 + 2.000H2O = Pu(CO3)2(OH)2-2
- log_k 16.760 #99RAI/HES1
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.676E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3 + 2.000CO3-2 = Pu(CO3)2-
- log_k 12.540 #Estimated by correlation with An(III) in function of ionic radii
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.254E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3 + 3.000CO3-2 = Pu(CO3)3-3
- log_k 16.400 #Estimated by correlation with An(III) in function of ionic radii
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.64E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4 + 4.000CO3-2 = Pu(CO3)4-4
- log_k 37.000 #03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.7E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4 + 5.000CO3-2 = Pu(CO3)5-6
- log_k 35.650 #03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.565E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4 + 1.000Edta-4 = Pu(Edta)
- log_k 31.800
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.18E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3 + 1.000Edta-4 = Pu(Edta)-
- log_k 20.180 #05HUM/AND
- delta_h -8.700 #kJ/mol
- # Enthalpy of formation: -2305.29 #kJ/mol
- -analytic 1.86558E+1 0E+0 4.54432E+2 0E+0 0E+0
-
-1.000Pu+3 + 1.000H2(PO4)- = Pu(H2PO4)+2
- log_k 2.200 #10RAI/MOO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.2E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3 + 1.000H+ + 1.000Edta-4 = Pu(HEdta)
- log_k 22.020 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.202E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3 - 1.000H+ + 1.000H2(PO4)- = Pu(HPO4)+
- log_k -1.820 #Estimated by correlation with An(III) in function of ionic radii
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.82E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3 - 2.000H+ + 2.000H2(PO4)- = Pu(HPO4)2-
- log_k -5.460 #Estimated by correlation with An(III) in function of ionic radii
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -5.46E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3 + 1.000NO3- = Pu(NO3)+2
- log_k 1.330 #95SIL/BID, LogK selected in analogy to Am (NEA recommendation 95SIL/BID)
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.33E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4 + 1.000NO3- = Pu(NO3)+3
- log_k 1.950 #01LEM/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.95E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3 + 1.000Nta-3 = Pu(Nta)
- log_k 13.100 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.31E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4 + 1.000Nta-3 = Pu(Nta)+
- log_k 21.000 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.1E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3 - 1.000H+ + 1.000H2O = Pu(OH)+2
- log_k -6.900 #01LEM/FUG
- delta_h 78.274 #kJ/mol
- # Enthalpy of formation: -799.346 #kJ/mol
- -analytic 6.813E+0 0E+0 -4.08853E+3 0E+0 0E+0
-
-1.000Pu+4 - 1.000H+ + 1.000H2O = Pu(OH)+3
- log_k 0.600 #99NEC, 01NEC/KIM, 03GUI/FAN
- delta_h 36.000 #kJ/mol #01LEM/FUG
- # Enthalpy of formation: -789.725 #kJ/mol
- -analytic 6.90692E+0 0E+0 -1.88041E+3 0E+0 0E+0
-
-1.000Pu+3 - 2.000H+ + 2.000H2O = Pu(OH)2+
- log_k -15.900 #80ALL/KIP
- delta_h 150.342 #kJ/mol
- # Enthalpy of formation: -1013.108 #kJ/mol
- -analytic 1.04387E+1 0E+0 -7.8529E+3 0E+0 0E+0
-
-1.000Pu+4 - 2.000H+ + 2.000H2O = Pu(OH)2+2
- log_k 0.600 #99NEC, 01NEC/KIM, 03GUI/FAN
- delta_h 49.569 #kJ/mol
- # Enthalpy of formation: -1061.986 #kJ/mol
- -analytic 9.2841E+0 0E+0 -2.58917E+3 0E+0 0E+0
-
-1.000Pu+3 - 3.000H+ + 3.000H2O = Pu(OH)3
- log_k -25.300 #80ALL/KIP
- delta_h 227.540 #kJ/mol
- # Enthalpy of formation: -1221.74 #kJ/mol
- -analytic 1.45632E+1 0E+0 -1.18852E+4 0E+0 0E+0
-
-1.000Pu+4 - 3.000H+ + 1.000HGlu- + 3.000H2O = Pu(OH)3(HGlu)
- log_k 4.750 #06GAO/MON
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.75E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4 - 3.000H+ + 1.000HIsa- + 3.000H2O = Pu(OH)3(HIsa)
- log_k 4.750 #06GAO/MON
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.75E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4 - 3.000H+ + 2.000HIsa- + 3.000H2O = Pu(OH)3(HIsa)2-
- log_k 6.860 #06GAO/MON
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.86E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4 - 3.000H+ + 3.000H2O = Pu(OH)3+
- log_k -2.300 #99NEC, 01NEC/KIM, 03GUI/FAN
- delta_h 68.543 #kJ/mol
- # Enthalpy of formation: -1328.842 #kJ/mol
- -analytic 9.7082E+0 0E+0 -3.58024E+3 0E+0 0E+0
-
-1.000Pu+4 - 4.000H+ + 4.000H2O = Pu(OH)4
- log_k -8.500 #03GUI/FAN
- delta_h 99.049 #kJ/mol
- # Enthalpy of formation: -1584.166 #kJ/mol
- -analytic 8.85261E+0 0E+0 -5.17368E+3 0E+0 0E+0
-
-1.000Pu+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = Pu(OH)4(HGlu)-
- log_k -2.700 #06GAO/MON
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = Pu(OH)4(HIsa)-
- log_k -3.600 #06GAO/MON
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.6E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4 - 4.000H+ + 2.000HIsa- + 4.000H2O = Pu(OH)4(HIsa)2-2
- log_k 0.700 #06GAO/MON
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 7E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4 + 1.000Ox-2 = Pu(Ox)+2
- log_k 11.400 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.14E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4 + 2.000Ox-2 = Pu(Ox)2
- log_k 20.600 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.06E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3 + 2.000Ox-2 = Pu(Ox)2-
- log_k 10.620 #12GRI/GAR2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.062E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4 + 3.000Ox-2 = Pu(Ox)3-2
- log_k 25.690 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.569E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3 + 3.000Ox-2 = Pu(Ox)3-3
- log_k 13.220 #12GRI/GAR2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.322E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3 - 4.000H+ + 2.000H2(PO4)- = Pu(PO4)2-3
- log_k -19.730 #Estimated by correlation with An(III) in function of ionic radii
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.973E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3 + 1.000SO4-2 = Pu(SO4)+
- log_k 3.910 #01LEM/FUG
- delta_h 17.240 #kJ/mol #01LEM/FUG
- # Enthalpy of formation: -1483.89 #kJ/mol
- -analytic 6.93031E+0 0E+0 -9.00507E+2 0E+0 0E+0
-
-1.000Pu+4 + 1.000SO4-2 = Pu(SO4)+2
- log_k 6.890 #01LEM/FUG
- delta_h 13.753 #kJ/mol
- # Enthalpy of formation: -1435.482 #kJ/mol
- -analytic 9.29942E+0 0E+0 -7.18368E+2 0E+0 0E+0
-
-1.000Pu+4 + 2.000SO4-2 = Pu(SO4)2
- log_k 11.140 #01LEM/FUG
- delta_h 43.906 #kJ/mol
- # Enthalpy of formation: -2314.669 #kJ/mol
- -analytic 1.8832E+1 0E+0 -2.29337E+3 0E+0 0E+0
-
-1.000Pu+3 + 2.000SO4-2 = Pu(SO4)2-
- log_k 5.700 #01LEM/FUG
- delta_h 11.880 #kJ/mol #01LEM/FUG
- # Enthalpy of formation: -2398.59 #kJ/mol
- -analytic 7.78128E+0 0E+0 -6.20535E+2 0E+0 0E+0
-
-1.000Pu+4 + 1.000Br- = PuBr+3
- log_k 1.600 #01LEM/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.6E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4 + 1.000Cl- = PuCl+3
- log_k 1.800 #01LEM/FUG
- delta_h 19.820 #kJ/mol
- # Enthalpy of formation: -687.155 #kJ/mol
- -analytic 5.27231E+0 0E+0 -1.03527E+3 0E+0 0E+0
-
-1.000Pu+4 + 1.000F- = PuF+3
- log_k 8.840 #01LEM/FUG
- delta_h 9.100 #kJ/mol #01LEM/FUG
- # Enthalpy of formation: -866.145 #kJ/mol
- -analytic 1.04342E+1 0E+0 -4.75325E+2 0E+0 0E+0
-
-1.000Pu+4 + 2.000F- = PuF2+2
- log_k 15.700 #01LEM/FUG
- delta_h 11.000 #kJ/mol #01LEM/FUG
- # Enthalpy of formation: -1199.595 #kJ/mol
- -analytic 1.76271E+1 0E+0 -5.74569E+2 0E+0 0E+0
-
-1.000Pu+4 + 3.000F- = PuF3+
- log_k 20.110 #01LEM/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.011E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4 + 1.000H+ + 1.000H2(PO4)- = PuH3PO4+4
- log_k 4.540 #01LEM/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.54E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3 + 1.000I- = PuI+2
- log_k 1.100 #01LEM/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.1E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4 + 1.000I- = PuI+3
- log_k 1.620
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.62E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2 + 1.000Acetate- = PuO2(Acetate)+
- log_k 2.870 #11RIC/GRI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.87E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2 + 2.000Acetate- = PuO2(Acetate)2
- log_k 4.770 #11RIC/GRI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.77E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2 + 3.000Acetate- = PuO2(Acetate)3-
- log_k 6.190 #11RIC/GRI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.19E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2 + 1.000CO3-2 = PuO2(CO3)
- log_k 9.500 #03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2 + 2.000CO3-2 = PuO2(CO3)2-2
- log_k 14.700 #03GUI/FAN
- delta_h -27.000 #kJ/mol #03GUI/FAN
- # Enthalpy of formation: -2199.496 #kJ/mol
- -analytic 9.96981E+0 0E+0 1.41031E+3 0E+0 0E+0
-
-1.000PuO2+2 + 3.000CO3-2 = PuO2(CO3)3-4
- log_k 18.000 #03GUI/FAN
- delta_h -38.600 #kJ/mol #03GUI/FAN
- # Enthalpy of formation: -2886.326 #kJ/mol
- -analytic 1.12376E+1 0E+0 2.01622E+3 0E+0 0E+0
-
-1.000PuO2+ + 3.000CO3-2 = PuO2(CO3)3-5
- log_k 5.030
- delta_h -19.110 #kJ/mol #01LEM/FUG
- # Enthalpy of formation: -2954.927 #kJ/mol
- -analytic 1.68208E+0 0E+0 9.98183E+2 0E+0 0E+0
-
-2.000UO2+2 + 1.000PuO2+2 + 6.000CO3-2 = PuO2(CO3)6(UO2)2-6
- log_k 53.480 #03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.348E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+ - 1.000H+ + 1.000H2(PO4)- = PuO2(HPO4)-
- log_k -4.860 #NEA Guidelines in 01LEM/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.86E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2 + 1.000Nta-3 = PuO2(Nta)-
- log_k 11.000 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.1E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+ + 1.000Nta-3 = PuO2(Nta)-2
- log_k 7.500 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 7.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2 - 1.000H+ + 1.000H2O = PuO2(OH)+
- log_k -5.500 #01LEM/FUG
- delta_h 28.000 #kJ/mol #01LEM/FUG
- # Enthalpy of formation: -1079.866 #kJ/mol
- -analytic -5.94618E-1 0E+0 -1.46254E+3 0E+0 0E+0
-
-1.000PuO2+2 - 2.000H+ + 2.000H2O = PuO2(OH)2
- log_k -13.200 #01LEM/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.32E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2 - 1.000H+ + 1.000H4(SiO4) = PuO2(OSi(OH)3)+
- log_k -3.640 #03YUS/FED
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.64E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2 + 1.000Ox-2 = PuO2(Ox)
- log_k 7.000 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2 + 2.000Ox-2 = PuO2(Ox)2-2
- log_k 10.500 #73POR/DEP in 95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.05E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2 + 1.000Phthalat-2 = PuO2(Phthalat)
- log_k 5.760 #11GRI/COL3
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.76E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2 + 1.000SO4-2 = PuO2(SO4)
- log_k 3.380 #01LEM/FUG
- delta_h 16.100 #kJ/mol #01LEM/FUG
- # Enthalpy of formation: -1715.276 #kJ/mol
- -analytic 6.20059E+0 0E+0 -8.4096E+2 0E+0 0E+0
-
-1.000PuO2+ + 1.000SO4-2 = PuO2(SO4)-
- log_k 0.440 #Duro et al. (2006), In analogy to NpO2(SO4)-
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.4E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2 + 2.000SO4-2 = PuO2(SO4)2-2
- log_k 4.400 #01LEM/FUG
- delta_h 43.000 #kJ/mol #01LEM/FUG
- # Enthalpy of formation: -2597.716 #kJ/mol
- -analytic 1.19333E+1 0E+0 -2.24604E+3 0E+0 0E+0
-
-1.000PuO2+ + 1.000CO3-2 = PuO2CO3-
- log_k 5.120 #01LEM/FUG
- delta_h 44.874 #kJ/mol
- # Enthalpy of formation: -1540.483 #kJ/mol
- -analytic 1.29816E+1 0E+0 -2.34393E+3 0E+0 0E+0
-
-1.000PuO2+2 + 1.000Cl- = PuO2Cl+
- log_k 0.230 #03GUI/FAN
- delta_h 4.187 #kJ/mol
- # Enthalpy of formation: -984.929 #kJ/mol
- -analytic 9.6353E-1 0E+0 -2.18702E+2 0E+0 0E+0
-
-1.000PuO2+2 + 2.000Cl- = PuO2Cl2
- log_k -1.150 #03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.15E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+ + 1.000F- = PuO2F
- log_k 1.200 #In analogy to NpO2)F
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.2E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2 + 1.000F- = PuO2F+
- log_k 4.560 #01LEM/FUG
- delta_h -3.653 #kJ/mol
- # Enthalpy of formation: -1161.039 #kJ/mol
- -analytic 3.92002E+0 0E+0 1.90809E+2 0E+0 0E+0
-
-1.000PuO2+2 + 2.000F- = PuO2F2
- log_k 7.250 #01LEM/FUG
- delta_h 1.208 #kJ/mol
- # Enthalpy of formation: -1491.528 #kJ/mol
- -analytic 7.46163E+0 0E+0 -6.30981E+1 0E+0 0E+0
-
-1.000PuO2+2 + 3.000F- = PuO2F3-
- log_k 9.590 #85SAW/CHA
- delta_h 2.401 #kJ/mol
- # Enthalpy of formation: -1825.685 #kJ/mol
- -analytic 1.00106E+1 0E+0 -1.25413E+2 0E+0 0E+0
-
-1.000PuO2+2 + 1.000NO3- = PuO2NO3+
- log_k 0.100 #12GRI/GAR1 (LogK selected in analogy to U (NEA recommendation), logK(UO2NO3 +))
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+ - 1.000H+ + 1.000H2O = PuO2OH
- log_k -11.300 #01LEM/FUG
- delta_h 71.826 #kJ/mol
- # Enthalpy of formation: -1124.131 #kJ/mol
- -analytic 1.28336E+0 0E+0 -3.75173E+3 0E+0 0E+0
-
-1.000Pu+3 + 1.000Ox-2 = PuOx+
- log_k 6.490 #12GRI/GAR2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.49E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3 - 2.000H+ + 1.000H2(PO4)- = PuPO4
- log_k -7.920 #Estimated by correlation with An(III) in function of ionic radii
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -7.92E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ra+2 + 1.000CO3-2 = Ra(CO3)
- log_k 2.500 #99SCH
- delta_h 4.496 #kJ/mol
- # Enthalpy of formation: -1198.76 #kJ/mol
- -analytic 3.28766E+0 0E+0 -2.34842E+2 0E+0 0E+0
-
-1.000H+ + 1.000Ra+2 + 1.000CO3-2 = Ra(HCO3)+
- log_k 10.920 #02ILE/TWE
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.092E+1 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+ + 1.000Ra+2 + 1.000H2O = Ra(OH)+
- log_k -13.490
- delta_h 60.417 #kJ/mol #85LAN/RIE
- # Enthalpy of formation: -753.438 #kJ/mol
- -analytic -2.90541E+0 0E+0 -3.1558E+3 0E+0 0E+0
-
-- 2.000H+ + 1.000Ra+2 + 2.000H2O = Ra(OH)2
- log_k -28.070
- delta_h 112.197 #kJ/mol
- # Enthalpy of formation: -987.488 #kJ/mol
- -analytic -8.41396E+0 0E+0 -5.86045E+3 0E+0 0E+0
-
-1.000Ra+2 + 1.000SO4-2 = Ra(SO4)
- log_k 2.760
- delta_h 5.481 #kJ/mol
- # Enthalpy of formation: -1431.884 #kJ/mol
- -analytic 3.72023E+0 0E+0 -2.86292E+2 0E+0 0E+0
-
-1.000Ra+2 + 1.000Cl- = RaCl+
- log_k -0.100 #85LAN/RIE
- delta_h 2.479 #kJ/mol
- # Enthalpy of formation: -692.626 #kJ/mol
- -analytic 3.34302E-1 0E+0 -1.29487E+2 0E+0 0E+0
-
-1.000Ra+2 + 2.000Cl- = RaCl2
- log_k -0.100
- delta_h 0.496 #kJ/mol
- # Enthalpy of formation: -861.689 #kJ/mol
- -analytic -1.31047E-2 0E+0 -2.59078E+1 0E+0 0E+0
-
-1.000Ra+2 + 1.000F- = RaF+
- log_k 0.480 #87BRO/WAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.8E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Br- + 1.000Rb+ = RbBr
- log_k -1.240
- delta_h 13.836 #kJ/mol
- # Enthalpy of formation: -358.694 #kJ/mol #97SVE/SHO
- -analytic 1.18396E+0 0E+0 -7.22704E+2 0E+0 0E+0
-
-1.000Cl- + 1.000Rb+ = RbCl
- log_k -1.010
- delta_h 13.189 #kJ/mol
- # Enthalpy of formation: -405.011 #kJ/mol #97SVE/SHO
- -analytic 1.30061E+0 0E+0 -6.88908E+2 0E+0 0E+0
-
-1.000F- + 1.000Rb+ = RbF
- log_k 0.940
- delta_h 1.923 #kJ/mol
- # Enthalpy of formation: -584.547 #kJ/mol #97SVE/SHO
- -analytic 1.27689E+0 0E+0 -1.00445E+2 0E+0 0E+0
-
-1.000I- + 1.000Rb+ = RbI
- log_k -0.840
- delta_h 6.987 #kJ/mol
- # Enthalpy of formation: -300.913 #kJ/mol #97SVE/SHO
- -analytic 3.84068E-1 0E+0 -3.64956E+2 0E+0 0E+0
-
-- 1.000H+ + 1.000Rb+ + 1.000H2O = RbOH
- log_k -14.260
- delta_h 64.158 #kJ/mol
- # Enthalpy of formation: -472.792 #kJ/mol #97SHO/SAS2
- -analytic -3.02002E+0 0E+0 -3.3512E+3 0E+0 0E+0
-
-- 1.000H+ + 1.000HS- = S-2
- log_k -17.100 #04CHI
- delta_h 73.278 #kJ/mol
- # Enthalpy of formation: 56.978 #kJ/mol
- -analytic -4.26226E+0 0E+0 -3.82757E+3 0E+0 0E+0
-
-2.000HS- - 1.000H2O + 0.500O2 = S2-2
- log_k 32.450
- delta_h -212.123 #kJ/mol
- # Enthalpy of formation: 35.04 #kJ/mol #04CHI
- -analytic -4.7123E+0 0E+0 1.10799E+4 0E+0 0E+0
-
-2.000H+ + 2.000SO3-2 - 1.000H2O = S2O5-2
- log_k 12.850 #85GOL/PAR
- delta_h 2.606 #kJ/mol
- # Enthalpy of formation: -973.684 #kJ/mol
- -analytic 1.33066E+1 0E+0 -1.36121E+2 0E+0 0E+0
-
-2.000SO4-2 - 1.000H2O + 2.000H+ + 0.500O2 = S2O8-2
- log_k -22.390
- delta_h 194.217 #kJ/mol
- # Enthalpy of formation: -1344.7 #kJ/mol #82WAG/EVA
- -analytic 1.16353E+1 0E+0 -1.01446E+4 0E+0 0E+0
-
-1.000H+ + 3.000HS- - 2.000H2O + 1.000O2 = S3-2
- log_k 79.470
- delta_h -484.686 #kJ/mol
- # Enthalpy of formation: 25.94 #kJ/mol #74NAU/RYZ
- -analytic -5.44322E+0 0E+0 2.53169E+4 0E+0 0E+0
-
-4.000H+ + 3.000SO3-2 - 2.000H2O - 0.500O2 = S3O6-2
- log_k -6.170
- delta_h 148.117 #kJ/mol
- # Enthalpy of formation: -1167.336 #kJ/mol #04CHI
- -analytic 1.97789E+1 0E+0 -7.73668E+3 0E+0 0E+0
-
-2.000H+ + 4.000HS- - 3.000H2O + 1.500O2 = S4-2
- log_k 125.390
- delta_h -751.079 #kJ/mol
- # Enthalpy of formation: 23.01 #kJ/mol #74NAU/RYZ
- -analytic -6.1932E+0 0E+0 3.92315E+4 0E+0 0E+0
-
-6.000H+ + 4.000SO3-2 - 3.000H2O - 1.500O2 = S4O6-2
- log_k -38.170
- delta_h 424.311 #kJ/mol
- # Enthalpy of formation: -1224.238 #kJ/mol #04CHI
- -analytic 3.6166E+1 0E+0 -2.21633E+4 0E+0 0E+0
-
-3.000H+ + 5.000HS- - 4.000H2O + 2.000O2 = S5-2
- log_k 171.090
- delta_h -1016.212 #kJ/mol
- # Enthalpy of formation: 21.34 #kJ/mol #74NAU/RYZ
- -analytic -6.94244E+0 0E+0 5.30804E+4 0E+0 0E+0
-
-8.000H+ + 5.000SO3-2 - 4.000H2O - 2.500O2 = S5O6-2
- log_k -99.570
- delta_h 805.941 #kJ/mol
- # Enthalpy of formation: -1175.704 #kJ/mol #04CHI
- -analytic 4.16246E+1 0E+0 -4.20972E+4 0E+0 0E+0
-
-2.000H+ + 1.000SO3-2 - 1.000H2O = SO2
- log_k 9.030
- delta_h 21.450 #kJ/mol
- # Enthalpy of formation: -323.78 #kJ/mol #85GOL/PAR
- -analytic 1.27879E+1 0E+0 -1.12041E+3 0E+0 0E+0
-
-2.000H+ + 1.000Sb(OH)3 - 2.000H2O = Sb(OH)+2
- log_k 0.740 #99LOT/OCH
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 7.4E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000H+ + 1.000Sb(OH)3 - 1.000H2O = Sb(OH)2+
- log_k 1.330 #77ANT/NEV and others recalculated
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.33E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H+ + 1.000Sb(OH)5 - 1.000H2O = Sb(OH)4+
- log_k -3.260 #57PIT/POU in 99LOT/OCH
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.26E+0 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+ + 1.000Sb(OH)3 + 1.000H2O = Sb(OH)4-
- log_k -11.820 #52GAY/GAR recalculated
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.182E+1 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+ + 1.000Sb(OH)5 + 1.000H2O = Sb(OH)6-
- log_k -2.720 #63LEF/MAR in 76BAE/MES
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.72E+0 0E+0 0E+0 0E+0 0E+0
-
-3.000H+ + 1.000Sb(OH)3 - 3.000H2O = Sb+3
- log_k -0.730 #99LOT/OCH
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -7.3E-1 0E+0 0E+0 0E+0 0E+0
-
-- 4.000H+ + 12.000Sb(OH)5 + 4.000H2O = Sb12(OH)64-4
- log_k 20.340 #63LEF/MAR in 76BAE/MES
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.034E+1 0E+0 0E+0 0E+0 0E+0
-
-- 5.000H+ + 12.000Sb(OH)5 + 5.000H2O = Sb12(OH)65-5
- log_k 16.720 #63LEF/MAR in 76BAE/MES
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.672E+1 0E+0 0E+0 0E+0 0E+0
-
-- 6.000H+ + 12.000Sb(OH)5 + 6.000H2O = Sb12(OH)66-6
- log_k 11.890 #63LEF/MAR in 76BAE/MES
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.189E+1 0E+0 0E+0 0E+0 0E+0
-
-- 7.000H+ + 12.000Sb(OH)5 + 7.000H2O = Sb12(OH)67-7
- log_k 6.070 #63LEF/MAR in 76BAE/MES
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.07E+0 0E+0 0E+0 0E+0 0E+0
-
-4.000H+ + 4.000HS- + 2.000Sb(OH)3 - 6.000H2O = Sb2H2S4
- log_k 57.810 #88KRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.781E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000H+ + 4.000HS- + 2.000Sb(OH)3 - 6.000H2O = Sb2HS4-
- log_k 52.900 #88KRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.29E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000H+ + 4.000HS- + 2.000Sb(OH)3 - 6.000H2O = Sb2S4-2
- log_k 43.380 #88KRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.338E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000H+ + 1.000Cl- + 1.000Sb(OH)3 - 3.000H2O = SbCl+2
- log_k 2.800 #70BON/WAU and others recalculated
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.8E+0 0E+0 0E+0 0E+0 0E+0
-
-3.000H+ + 2.000Cl- + 1.000Sb(OH)3 - 3.000H2O = SbCl2+
- log_k 3.270 #70BON/WAU and others recalculated
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.27E+0 0E+0 0E+0 0E+0 0E+0
-
-3.000H+ + 1.000F- + 1.000Sb(OH)3 - 3.000H2O = SbF+2
- log_k 6.370 #70BON recalculated
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.37E+0 0E+0 0E+0 0E+0 0E+0
-
-3.000H+ + 2.000F- + 1.000Sb(OH)3 - 3.000H2O = SbF2+
- log_k 12.420 #70BON recalculated
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.242E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000H+ + 3.000F- + 1.000Sb(OH)3 - 3.000H2O = SbF3
- log_k 18.200 #70BON recalculated
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.82E+1 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+ + 1.000HSe- = Se-2
- log_k -14.910
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.491E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000HSe- - 1.000H2O + 0.500O2 = Se2-2
- log_k 38.490 #05OLI/NOL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.849E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000H+ + 3.000HSe- - 2.000H2O + 1.000O2 = Se3-2
- log_k 91.220 #05OLI/NOL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.122E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000H+ + 4.000HSe- - 3.000H2O + 1.500O2 = Se4-2
- log_k 142.350 #05OLI/NOL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.4235E+2 0E+0 0E+0 0E+0 0E+0
-
-1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 = SeCn-
- log_k 56.020
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.602E+1 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+ + 2.000H4(SiO4) - 1.000H2O = Si2O2(OH)5-
- log_k -8.500 #01FEL/CHO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -8.5E+0 0E+0 0E+0 0E+0 0E+0
-
-- 2.000H+ + 2.000H4(SiO4) - 1.000H2O = Si2O3(OH)4-2
- log_k -19.400 #01FEL/CHO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.94E+1 0E+0 0E+0 0E+0 0E+0
-
-- 3.000H+ + 3.000H4(SiO4) - 2.000H2O = Si3O5(OH)5-3
- log_k -29.400 #01FEL/CHO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.94E+1 0E+0 0E+0 0E+0 0E+0
-
-- 3.000H+ + 3.000H4(SiO4) - 3.000H2O = Si3O6(OH)3-3
- log_k -29.300 #01FEL/CHO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.93E+1 0E+0 0E+0 0E+0 0E+0
-
-- 2.000H+ + 4.000H4(SiO4) - 4.000H2O = Si4O6(OH)6-2
- log_k -15.600 #01FEL/CHO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.56E+1 0E+0 0E+0 0E+0 0E+0
-
-- 4.000H+ + 4.000H4(SiO4) - 3.000H2O = Si4O7(OH)6-4
- log_k -39.100 #01FEL/CHO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.91E+1 0E+0 0E+0 0E+0 0E+0
-
-- 4.000H+ + 4.000H4(SiO4) - 4.000H2O = Si4O8(OH)4-4
- log_k -39.200 #01FEL/CHO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.92E+1 0E+0 0E+0 0E+0 0E+0
-
-- 6.000H+ + 6.000H4(SiO4) - 9.000H2O = Si6O15-6
- log_k -61.800 #01FEL/CHO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -6.18E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sm+3 + 1.000CO3-2 = Sm(CO3)+
- log_k 7.800 #95SPA/BRU
- delta_h 163.392 #kJ/mol
- # Enthalpy of formation: -1203.037 #kJ/mol
- -analytic 3.6425E+1 0E+0 -8.53455E+3 0E+0 0E+0
-
-1.000Sm+3 + 2.000CO3-2 = Sm(CO3)2-
- log_k 12.800 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.28E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sm+3 + 3.000CO3-2 = Sm(CO3)3-3
- log_k 14.800 #05VER/VIT2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.48E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sm+3 + 1.000H2(PO4)- = Sm(H2PO4)+2
- log_k 2.350 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.35E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sm+3 + 1.000H+ + 1.000CO3-2 = Sm(HCO3)+2
- log_k 12.430 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.243E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sm+3 - 1.000H+ + 1.000H2(PO4)- = Sm(HPO4)+
- log_k -1.610 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.61E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sm+3 - 2.000H+ + 2.000H2(PO4)- = Sm(HPO4)2-
- log_k -5.020 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -5.02E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sm+3 + 1.000NO3- = Sm(NO3)+2
- log_k 0.900 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sm+3 - 1.000H+ + 1.000H2O = Sm(OH)+2
- log_k -7.900 #95SPA/BRU
- delta_h 81.304 #kJ/mol
- # Enthalpy of formation: -895.725 #kJ/mol
- -analytic 6.34383E+0 0E+0 -4.2468E+3 0E+0 0E+0
-
-1.000Sm+3 - 2.000H+ + 2.000H2O = Sm(OH)2+
- log_k -15.700 #07NEC/ALT2
- delta_h 145.698 #kJ/mol
- # Enthalpy of formation: -1117.161 #kJ/mol
- -analytic 9.82516E+0 0E+0 -7.61033E+3 0E+0 0E+0
-
-1.000Sm+3 - 3.000H+ + 3.000H2O = Sm(OH)3
- log_k -26.200 #07NEC/ALT2
- delta_h 228.395 #kJ/mol
- # Enthalpy of formation: -1320.294 #kJ/mol
- -analytic 1.3813E+1 0E+0 -1.19299E+4 0E+0 0E+0
-
-1.000Sm+3 - 4.000H+ + 4.000H2O = Sm(OH)4-
- log_k -40.700 #07NEC/ALT2
- delta_h 298.594 #kJ/mol
- # Enthalpy of formation: -1535.925 #kJ/mol
- -analytic 1.16113E+1 0E+0 -1.55966E+4 0E+0 0E+0
-
-1.000Sm+3 - 2.000H+ + 1.000H2(PO4)- = Sm(PO4)
- log_k -7.460 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -7.46E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sm+3 - 4.000H+ + 2.000H2(PO4)- = Sm(PO4)2-3
- log_k -18.720 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.872E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sm+3 + 1.000SO4-2 = Sm(SO4)+
- log_k 3.500 #95SPA/BRU
- delta_h 16.575 #kJ/mol
- # Enthalpy of formation: -1583.964 #kJ/mol
- -analytic 6.40381E+0 0E+0 -8.65771E+2 0E+0 0E+0
-
-1.000Sm+3 + 2.000SO4-2 = Sm(SO4)2-
- log_k 5.200 #95SPA/BRU
- delta_h 24.910 #kJ/mol
- # Enthalpy of formation: -2484.969 #kJ/mol
- -analytic 9.56404E+0 0E+0 -1.30114E+3 0E+0 0E+0
-
-1.000Sm+3 + 1.000Br- = SmBr+2
- log_k 0.230 #96FAL/REA
- delta_h 17.023 #kJ/mol
- # Enthalpy of formation: -795.586 #kJ/mol
- -analytic 3.2123E+0 0E+0 -8.89172E+2 0E+0 0E+0
-
-1.000Sm+3 + 1.000Cl- = SmCl+2
- log_k 0.720 #Original data 01LUO/BYR and 07LUO/BYR
- delta_h 22.277 #kJ/mol
- # Enthalpy of formation: -836.002 #kJ/mol
- -analytic 4.62276E+0 0E+0 -1.16361E+3 0E+0 0E+0
-
-1.000Sm+3 + 1.000F- = SmF+2
- log_k 4.210 #07LUO/BYR
- delta_h 24.180 #kJ/mol
- # Enthalpy of formation: -1002.369 #kJ/mol
- -analytic 8.44615E+0 0E+0 -1.26301E+3 0E+0 0E+0
-
-1.000Sm+3 + 2.000F- = SmF2+
- log_k 6.430 #Original data 99SCH/BYR and 04LUO/BYR
- delta_h 18.850 #kJ/mol
- # Enthalpy of formation: -1343.049 #kJ/mol
- -analytic 9.73237E+0 0E+0 -9.84603E+2 0E+0 0E+0
-
-1.000Sm+3 - 1.000H+ + 1.000H4(SiO4) = SmSiO(OH)3+2
- log_k -2.620 #Orginal data 07THA/SIN and 96JEN/CHO1
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2 + 1.000Cit-3 = Sn(Cit)-
- log_k 8.700 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2 + 2.000Cit-3 = Sn(Cit)2-4
- log_k 11.900 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.19E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2 + 1.000Edta-4 = Sn(Edta)-2
- log_k 24.600 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.46E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2 + 2.000H+ + 1.000Edta-4 = Sn(H2Edta)
- log_k 24.300 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.43E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2 + 1.000H+ + 1.000Edta-4 = Sn(HEdta)-
- log_k 23.400 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.34E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2 + 1.000Nta-3 = Sn(Nta)-
- log_k 13.400 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.34E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2 - 1.000H+ + 1.000H2O = Sn(OH)+
- log_k -3.530 #12GAM/GAJ
- delta_h 18.612 #kJ/mol
- # Enthalpy of formation: -276.835 #kJ/mol
- -analytic -2.69322E-1 0E+0 -9.72171E+2 0E+0 0E+0
-
-1.000Sn+2 - 2.000H+ + 2.000H2O = Sn(OH)2
- log_k -7.680 #12GAM/GAJ
- delta_h 40.762 #kJ/mol
- # Enthalpy of formation: -540.515 #kJ/mol
- -analytic -5.38815E-1 0E+0 -2.12914E+3 0E+0 0E+0
-
-1.000Sn+2 - 3.000H+ + 3.000H2O = Sn(OH)3-
- log_k -61.190 #13COL/GRI
- delta_h 344.633 #kJ/mol
- # Enthalpy of formation: -522.474 #kJ/mol
- -analytic -8.12979E-1 0E+0 -1.80014E+4 0E+0 0E+0
-
-1.000Sn+4 - 4.000H+ + 4.000H2O = Sn(OH)4
- log_k 7.540
- delta_h -49.215 #kJ/mol
- # Enthalpy of formation: -1224.035 #kJ/mol
- -analytic -1.08209E+0 0E+0 2.57067E+3 0E+0 0E+0
-
-1.000Sn+4 - 5.000H+ + 5.000H2O = Sn(OH)5-
- log_k -1.060
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.06E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+4 - 6.000H+ + 6.000H2O = Sn(OH)6-2
- log_k -11.130
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.113E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2 - 1.000H+ + 1.000Cl- + 1.000H2O = Sn(OH)Cl
- log_k -3.100 #52VAN/RHO recalculated in 02HUM/BER
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.1E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2 + 1.000Ox-2 = Sn(Ox)
- log_k 6.500 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2 + 2.000Ox-2 = Sn(Ox)2-2
- log_k 12.900 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2 + 3.000Ox-2 = Sn(Ox)3-4
- log_k 17.100 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.71E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2 + 1.000SO4-2 = Sn(SO4)
- log_k 3.430 #12GAM/GAJ
- delta_h 16.900 #kJ/mol #Suggested but not selected in 12GAM/GAJ
- # Enthalpy of formation: -902.057 #kJ/mol
- -analytic 6.39075E+0 0E+0 -8.82747E+2 0E+0 0E+0
-
-3.000Sn+2 - 4.000H+ + 4.000H2O = Sn3(OH)4+2
- log_k -5.600 #12GAM/GAJ
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -5.6E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2 + 1.000Br- = SnBr+
- log_k 1.330 #12GAM/GAJ
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.33E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2 + 2.000Br- = SnBr2
- log_k 1.970 #12GAM/GAJ
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.97E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2 + 3.000Br- = SnBr3-
- log_k 1.930 #12GAM/GAJ
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.93E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2 + 1.000Cl- = SnCl+
- log_k 1.520 #12GAM/GAJ
- delta_h 12.700 #kJ/mol #12GAM/GAJ
- # Enthalpy of formation: -163.997 #kJ/mol
- -analytic 3.74494E+0 0E+0 -6.63366E+2 0E+0 0E+0
-
-1.000Sn+2 + 2.000Cl- = SnCl2
- log_k 2.170 #12GAM/GAJ
- delta_h 19.700 #kJ/mol #12GAM/GAJ
- # Enthalpy of formation: -324.077 #kJ/mol
- -analytic 5.62129E+0 0E+0 -1.029E+3 0E+0 0E+0
-
-1.000Sn+2 + 3.000Cl- = SnCl3-
- log_k 2.130 #12GAM/GAJ
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.13E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2 + 4.000Cl- = SnCl4-2
- log_k 2.030 #12GAM/GAJ
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.03E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2 + 1.000F- = SnF+
- log_k 5.250 #12GAM/GAJ
- delta_h -9.579 #kJ/mol
- # Enthalpy of formation: -354.546 #kJ/mol
- -analytic 3.57183E+0 0E+0 5.00345E+2 0E+0 0E+0
-
-1.000Sn+2 + 2.000F- = SnF2
- log_k 8.890 #12GAM/GAJ
- delta_h -9.968 #kJ/mol
- # Enthalpy of formation: -690.285 #kJ/mol
- -analytic 7.14368E+0 0E+0 5.20664E+2 0E+0 0E+0
-
-1.000Sn+2 + 3.000F- = SnF3-
- log_k 11.500 #12GAM/GAJ
- delta_h -4.478 #kJ/mol
- # Enthalpy of formation: -1020.145 #kJ/mol
- -analytic 1.07155E+1 0E+0 2.33902E+2 0E+0 0E+0
-
-1.000Sn+2 - 1.000H+ + 1.000H2(PO4)- = SnHPO4
- log_k 2.290 #00CIA/IUL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.29E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2 + 1.000I- = SnI+
- log_k 1.740 #68HAI/JOH1 recalculated
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.74E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2 + 2.000I- = SnI2
- log_k 2.690 #68HAI/JOH1 recalculated
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.69E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2 - 2.000H+ + 1.000H2(PO4)- = SnPO4-
- log_k -1.560 #00CIA/IUL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.56E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 + 1.000CO3-2 = Sr(CO3)
- log_k 2.810 #84BUS/PLU
- delta_h 21.824 #kJ/mol
- # Enthalpy of formation: -1204.306 #kJ/mol
- -analytic 6.6334E+0 0E+0 -1.13995E+3 0E+0 0E+0
-
-1.000Sr+2 + 1.000Cit-3 = Sr(Cit)-
- log_k 4.240 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.24E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 - 1.000H+ + 2.000Cit-3 + 1.000H2O = Sr(Cit)2(OH)-5
- log_k -1.780 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.78E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 + 2.000Cit-3 = Sr(Cit)2-4
- log_k 4.840 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.84E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 + 1.000Cn- = Sr(Cn)+
- log_k 0.710 #estimation NEA87 08/02/95
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 7.1E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 + 2.000Cn- = Sr(Cn)2
- log_k 0.200 #estimation NEA87 08/02/95
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 + 1.000Edta-4 = Sr(Edta)-2
- log_k 10.300 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.03E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 + 2.000H+ + 1.000Cit-3 = Sr(H2Cit)+
- log_k 12.460 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.246E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 + 1.000H2(PO4)- = Sr(H2PO4)+
- log_k 0.830 #97MAR/SMI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.3E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 + 1.000H+ + 1.000CO3-2 = Sr(HCO3)+
- log_k 11.510 #84BUS/PLUS
- delta_h 10.598 #kJ/mol
- # Enthalpy of formation: -1215.533 #kJ/mol
- -analytic 1.33667E+1 0E+0 -5.53571E+2 0E+0 0E+0
-
-1.000Sr+2 + 1.000H+ + 1.000Cit-3 = Sr(HCit)
- log_k 9.000 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 + 1.000H+ + 1.000Edta-4 = Sr(HEdta)-
- log_k 14.700 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.47E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 + 1.000H+ + 1.000Ox-2 = Sr(HOx)+
- log_k 5.800 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.8E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 + 2.000H+ + 2.000Ox-2 = Sr(HOx)2
- log_k 10.800 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.08E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 - 1.000H+ + 1.000H2(PO4)- = Sr(HPO4)
- log_k -4.700 #97MAR/SMI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 + 1.000IO3- = Sr(IO3)+
- log_k 0.330 #estimation NEA87 01/02/95
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.3E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 + 2.000IO3- = Sr(IO3)2
- log_k -0.550 #estimation NEA87 01/02/95
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -5.5E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 + 1.000NH3 = Sr(NH3)+2
- log_k -0.550 #estimation NEA87 08/02/95
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -5.5E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 + 1.000NO3- = Sr(NO3)+
- log_k 0.600 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 + 2.000NO3- = Sr(NO3)2
- log_k 0.310 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.1E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 + 1.000Nta-3 = Sr(Nta)-
- log_k 6.250 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.25E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 - 1.000H+ + 1.000H2O = Sr(OH)+
- log_k -13.290 #76BAE/MES
- delta_h 82.609 #kJ/mol
- # Enthalpy of formation: -754.12 #kJ/mol
- -analytic 1.18245E+0 0E+0 -4.31496E+3 0E+0 0E+0
-
-1.000Sr+2 + 1.000Ox-2 = Sr(Ox)
- log_k 2.540 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.54E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 + 2.000Ox-2 = Sr(Ox)2-2
- log_k 3.000 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 - 2.000H+ + 1.000H2(PO4)- = Sr(PO4)-
- log_k -13.560 #96BOU1
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.356E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 + 1.000Pyrophos-4 = Sr(Pyrophos)-2
- log_k 5.400 #76SMI/MAR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.4E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 + 1.000S2O3-2 = Sr(S2O3)
- log_k 2.040 #76SMI/MAR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.04E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 + 1.000SO4-2 = Sr(SO4)
- log_k 2.300 #06BLA/IGN
- delta_h 7.029 #kJ/mol #06BLA/IGN
- # Enthalpy of formation: -1453.211 #kJ/mol
- -analytic 3.53143E+0 0E+0 -3.6715E+2 0E+0 0E+0
-
-2.000Sr+2 - 1.000H+ + 1.000Cit-3 + 1.000H2O = Sr2(Cit)(OH)
- log_k 0.380 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.8E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 + 1.000B(OH)4- = SrB(OH)4+
- log_k 1.550 #80BAS
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.55E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 + 1.000Cl- = SrCl+
- log_k 0.230 #96BOU1
- delta_h 4.924 #kJ/mol
- # Enthalpy of formation: -713.054 #kJ/mol
- -analytic 1.09265E+0 0E+0 -2.57198E+2 0E+0 0E+0
-
-1.000Sr+2 + 1.000F- = SrF+
- log_k 0.300
- delta_h 16.740 #kJ/mol
- # Enthalpy of formation: -869.51 #kJ/mol
- -analytic 3.23272E+0 0E+0 -8.7439E+2 0E+0 0E+0
-
-1.000Sr+2 + 2.000F- = SrF2
- log_k 2.020 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.02E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 + 1.000I- = SrI+
- log_k 0.140 #estimation NEA87 01/02/95
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.4E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2 + 2.000I- = SrI2
- log_k -0.040 #estimation NEA87 01/02/95
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4E-2 0E+0 0E+0 0E+0 0E+0
-
-1.000TcO(OH)2 + 2.000H+ + 1.000CO3-2 - 1.000H2O = Tc(OH)2CO3
- log_k 19.260 #99RAR/RAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.926E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000TcO(OH)2 + 1.000H+ + 1.000CO3-2 = Tc(OH)3CO3-
- log_k 10.960 #99RAR/RAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.096E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000TcO(OH)2 + 1.000H+ - 1.000H2O + 1.000Acetate- = TcO(OH)(Acetate)
- log_k 5.550 #11RIC/GRI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.55E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000TcO(OH)2 + 1.000H+ + 1.000Edta-4 - 1.000H2O = TcO(OH)(Edta)-3
- log_k 19.000 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.9E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000TcO(OH)2 + 1.000H+ + 1.000Nta-3 - 1.000H2O = TcO(OH)(Nta)-2
- log_k 13.300 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.33E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000TcO(OH)2 + 1.000H+ + 2.000Nta-3 - 1.000H2O = TcO(OH)(Nta)2-5
- log_k 11.700 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.17E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000TcO(OH)2 + 1.000H+ - 1.000H2O = TcO(OH)+
- log_k 2.790
- delta_h 4.020 #kJ/mol #97NGU/LAN
- # Enthalpy of formation: -459.47 #kJ/mol
- -analytic 3.49427E+0 0E+0 -2.09979E+2 0E+0 0E+0
-
-1.000TcO(OH)2 + 2.000H+ + 1.000Ox-2 - 2.000H2O = TcO(Ox)
- log_k 9.800 #06XIA/HES
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.8E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000TcO(OH)2 + 2.000H+ + 2.000Ox-2 - 2.000H2O = TcO(Ox)2-2
- log_k 13.660 #06XIA/HES
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.366E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000TcO(OH)2 + 2.000H+ - 2.000H2O = TcO+2
- log_k 2.580 #97NGU/LAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.58E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 1.000Acetate- = Th(Acetate)+3
- log_k 5.240 #11RIC/GRI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.24E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 2.000Acetate- = Th(Acetate)2+2
- log_k 9.440 #11RIC/GRI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.44E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 3.000Acetate- = Th(Acetate)3+
- log_k 12.560 #11RIC/GRI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.256E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 4.000Acetate- = Th(Acetate)4
- log_k 14.380 #11RIC/GRI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.438E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 5.000Acetate- = Th(Acetate)5-
- log_k 15.370 #11RIC/GRI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.537E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 5.000CO3-2 = Th(CO3)5-6
- log_k 31.000 #09RAN/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.1E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 1.000Cit-3 = Th(Cit)+
- log_k 16.800 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.68E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 2.000Cit-3 = Th(Cit)2-2
- log_k 25.800 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.58E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 1.000Edta-4 = Th(Edta)
- log_k 26.950 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.695E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 1.000H2(PO4)- = Th(H2PO4)+3
- log_k 5.590 #09RAN/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.59E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 2.000H2(PO4)- = Th(H2PO4)2+2
- log_k 10.480 #09RAN/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.048E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 1.000H+ + 2.000H2(PO4)- = Th(H3PO4)(H2PO4)+3
- log_k 9.700 #09RAN/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 1.000H+ + 1.000H2(PO4)- = Th(H3PO4)+4
- log_k 4.030 #09RAN/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.03E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 1.000H+ + 1.000Edta-4 = Th(HEdta)+
- log_k 28.700 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.87E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 1.000H+ + 1.000Ox-2 = Th(HOx)+3
- log_k 11.000 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.1E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 2.000H+ + 2.000Ox-2 = Th(HOx)2+2
- log_k 18.130 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.813E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 4.000H+ + 4.000Ox-2 = Th(HOx)4
- log_k 24.300 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.43E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 1.000Malonate-2 = Th(Malonate)+2
- log_k 9.320 #13GRI/CAM
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.32E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 2.000Malonate-2 = Th(Malonate)2
- log_k 16.070 #13GRI/CAM
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.607E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 3.000Malonate-2 = Th(Malonate)3-2
- log_k 19.630 #13GRI/CAM
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.963E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 1.000NO3- = Th(NO3)+3
- log_k 1.300 #09RAN/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 2.000NO3- = Th(NO3)2+2
- log_k 2.300 #09RAN/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 1.000Nta-3 = Th(Nta)+
- log_k 17.150 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.715E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 - 1.000H+ + 4.000CO3-2 + 1.000H2O = Th(OH)(CO3)4-5
- log_k 21.600 #09RAN/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.16E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 - 1.000H+ + 1.000Edta-4 + 1.000H2O = Th(OH)(Edta)-
- log_k 19.500 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.95E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Th(OH)(Nta)
- log_k 25.200 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.52E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 - 1.000H+ + 1.000H2O = Th(OH)+3
- log_k -2.500 #09RAN/FUG
- delta_h 44.200 #kJ/mol #09RAN/FUG
- # Enthalpy of formation: -1010.33 #kJ/mol
- -analytic 5.2435E+0 0E+0 -2.30872E+3 0E+0 0E+0
-
-1.000Th+4 - 2.000H+ + 1.000CO3-2 + 2.000H2O = Th(OH)2(CO3)
- log_k 2.500 #09RAN/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 - 2.000H+ + 2.000CO3-2 + 2.000H2O = Th(OH)2(CO3)2-2
- log_k 8.800 #09RAN/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.8E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 - 2.000H+ + 1.000Nta-3 + 2.000H2O = Th(OH)2(Nta)-
- log_k 35.200 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.52E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 - 2.000H+ + 2.000H2O = Th(OH)2+2
- log_k -6.200 #09RAN/FUG
- delta_h 85.700 #kJ/mol #09RAN/FUG
- # Enthalpy of formation: -1254.66 #kJ/mol
- -analytic 8.81397E+0 0E+0 -4.47642E+3 0E+0 0E+0
-
-1.000Th+4 - 3.000H+ + 1.000CO3-2 + 3.000H2O = Th(OH)3(CO3)-
- log_k -3.700 #09RAN/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 - 3.000H+ + 1.000HGlu- + 3.000H2O = Th(OH)3(HGlu)
- log_k -6.700 #06GAO/MON
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -6.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 - 3.000H+ + 1.000HIsa- + 3.000H2O = Th(OH)3(HIsa)
- log_k -5.650 #06GAO/MON
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -5.65E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 - 3.000H+ + 2.000HIsa- + 3.000H2O = Th(OH)3(HIsa)2-
- log_k -4.900 #09RAI/YUI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 - 3.000H+ + 3.000H2O = Th(OH)3+
- log_k -11.000 #10GRI/RIB
- delta_h 125.623 #kJ/mol
- # Enthalpy of formation: -1500.554 #kJ/mol
- -analytic 1.10082E+1 0E+0 -6.56174E+3 0E+0 0E+0
-
-1.000Th+4 - 4.000H+ + 4.000H2O = Th(OH)4
- log_k -17.400 #09RAN/FUG
- delta_h 152.688 #kJ/mol
- # Enthalpy of formation: -1759.319 #kJ/mol
- -analytic 9.34975E+0 0E+0 -7.97544E+3 0E+0 0E+0
-
-1.000Th+4 - 4.000H+ + 1.000CO3-2 + 4.000H2O = Th(OH)4(CO3)-2
- log_k -15.600 #09RAN/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.56E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = Th(OH)4(HGlu)-
- log_k -11.800 #13COL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.18E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 2.000HGlu- + 4.000H2O - 4.000H+ = Th(OH)4(HGlu)2-2
- log_k -9.900 #13COL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -9.9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = Th(OH)4(HIsa)-
- log_k -13.200 #13COL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.32E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 - 4.000H+ + 2.000HIsa- + 4.000H2O = Th(OH)4(HIsa)2-2
- log_k -10.400 #13COL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.04E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 1.000Ox-2 = Th(Ox)+2
- log_k 9.700 #08SAS/TAK; 09KOB/SAS
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 2.000Ox-2 = Th(Ox)2
- log_k 16.000 #08SAS/TAK; 09KOB/SAS
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.6E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 3.000Ox-2 = Th(Ox)3-2
- log_k 22.200 #08SAS/TAK; 09KOB/SAS
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.22E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 1.000SO4-2 = Th(SO4)+2
- log_k 6.170 #09RAN/FUG
- delta_h 20.920 #kJ/mol #09RAN/FUG
- # Enthalpy of formation: -1657.12 #kJ/mol
- -analytic 9.83502E+0 0E+0 -1.09273E+3 0E+0 0E+0
-
-1.000Th+4 + 2.000SO4-2 = Th(SO4)2
- log_k 9.690 #09RAN/FUG
- delta_h 40.380 #kJ/mol #09RAN/FUG
- # Enthalpy of formation: -2547 #kJ/mol
- -analytic 1.67643E+1 0E+0 -2.10919E+3 0E+0 0E+0
-
-1.000Th+4 + 3.000SO4-2 = Th(SO4)3-2
- log_k 10.750 #09RAN/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.075E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 1.000Succinat-2 = Th(Succinat)+2
- log_k 8.490 #13GRI/CAM
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.49E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 2.000Succinat-2 = Th(Succinat)2
- log_k 12.920 #13GRI/CAM
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.292E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 3.000Succinat-2 = Th(Succinat)3-2
- log_k 16.620 #13GRI/CAM
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.662E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000Th+4 - 2.000H+ + 2.000H2O = Th2(OH)2+6
- log_k -5.900 #09RAN/FUG
- delta_h 58.300 #kJ/mol #09RAN/FUG
- # Enthalpy of formation: -2050.76 #kJ/mol
- -analytic 4.31371E+0 0E+0 -3.04522E+3 0E+0 0E+0
-
-2.000Th+4 - 3.000H+ + 3.000H2O = Th2(OH)3+5
- log_k -6.800 #09RAN/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -6.8E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000Th+4 - 1.000H+ + 1.000Ox-2 + 1.000H2O = Th2(Ox)(OH)+5
- log_k 26.240 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.624E+1 0E+0 0E+0 0E+0 0E+0
-
-4.000Th+4 - 12.000H+ + 12.000H2O = Th4(OH)12+4
- log_k -26.600 #09RAN/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.66E+1 0E+0 0E+0 0E+0 0E+0
-
-4.000Th+4 - 8.000H+ + 8.000H2O = Th4(OH)8+8
- log_k -20.400 #09RAN/FUG
- delta_h 243.000 #kJ/mol #09RAN/FUG
- # Enthalpy of formation: -5118.44 #kJ/mol
- -analytic 2.21717E+1 0E+0 -1.26928E+4 0E+0 0E+0
-
-6.000Th+4 - 14.000H+ + 14.000H2O = Th6(OH)14+10
- log_k -36.800 #09RAN/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.68E+1 0E+0 0E+0 0E+0 0E+0
-
-6.000Th+4 - 15.000H+ + 15.000H2O = Th6(OH)15+9
- log_k -36.800 #09RAN/FUG
- delta_h 472.800 #kJ/mol #09RAN/FUG
- # Enthalpy of formation: -8426.85 #kJ/mol
- -analytic 4.60309E+1 0E+0 -2.4696E+4 0E+0 0E+0
-
-1.000Th+4 + 1.000Cl- = ThCl+3
- log_k 1.700 #09RAN/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 1.000F- = ThF+3
- log_k 8.870 #09RAN/FUG
- delta_h -0.400 #kJ/mol #09RAN/FUG
- # Enthalpy of formation: -1104.45 #kJ/mol
- -analytic 8.79992E+0 0E+0 2.08934E+1 0E+0 0E+0
-
-1.000Th+4 + 2.000F- = ThF2+2
- log_k 15.630 #09RAN/FUG
- delta_h -3.300 #kJ/mol #09RAN/FUG
- # Enthalpy of formation: -1442.7 #kJ/mol
- -analytic 1.50519E+1 0E+0 1.72371E+2 0E+0 0E+0
-
-1.000Th+4 + 3.000F- = ThF3+
- log_k 20.670 #09RAN/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.067E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4 + 4.000F- = ThF4
- log_k 25.580 #09RAN/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.558E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4 + 1.000Acetate- = U(Acetate)+3
- log_k 5.640 #12GRI/GAR2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.64E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4 + 2.000Acetate- = U(Acetate)2+2
- log_k 9.810 #12GRI/GAR2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.81E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4 + 4.000CO3-2 = U(CO3)4-4
- log_k 35.120 #92GRE/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.512E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4 + 5.000CO3-2 = U(CO3)5-6
- log_k 34.000 #03GUI/FAN
- delta_h -20.000 #kJ/mol #03GUI/FAN
- # Enthalpy of formation: -3987.35 #kJ/mol
- -analytic 3.04962E+1 0E+0 1.04467E+3 0E+0 0E+0
-
-1.000U+4 + 1.000Edta-4 = U(Edta)
- log_k 29.500 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.95E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4 + 1.000NO3- = U(NO3)+3
- log_k 1.470 #92GRE/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.47E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4 + 2.000NO3- = U(NO3)2+2
- log_k 2.300 #92GRE/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4 + 1.000Nta-3 = U(Nta)+
- log_k 20.000 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4 - 1.000H+ + 1.000Edta-4 + 1.000H2O = U(OH)(Edta)-
- log_k 24.600 #63ERM/KRO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.46E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4 - 1.000H+ + 1.000H2O = U(OH)+3
- log_k -0.540 #92GRE/FUG
- delta_h 46.910 #kJ/mol
- # Enthalpy of formation: -830.12 #kJ/mol
- -analytic 7.67827E+0 0E+0 -2.45028E+3 0E+0 0E+0
-
-1.000U+4 - 2.000H+ + 1.000Edta-4 + 2.000H2O = U(OH)2(Edta)-2
- log_k 16.500 #63ERM/KRO
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.65E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4 - 2.000H+ + 2.000H2O = U(OH)2+2
- log_k -1.100 #01NEC/KIM
- delta_h 59.974 #kJ/mol
- # Enthalpy of formation: -1102.886 #kJ/mol
- -analytic 9.40698E+0 0E+0 -3.13266E+3 0E+0 0E+0
-
-1.000U+4 - 3.000H+ + 1.000HGlu- + 3.000H2O = U(OH)3(HGlu)
- log_k 0.290 #06GAO/MON
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.9E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4 - 3.000H+ + 1.000HIsa- + 3.000H2O = U(OH)3(HIsa)
- log_k 0.290 #06GAO/MON
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.9E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4 - 3.000H+ + 2.000HIsa- + 3.000H2O = U(OH)3(HIsa)2-
- log_k 2.400 #06GAO/MON
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.4E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4 - 3.000H+ + 3.000H2O = U(OH)3+
- log_k -4.700 #01NEC/KIM
- delta_h 82.944 #kJ/mol
- # Enthalpy of formation: -1365.746 #kJ/mol
- -analytic 9.83114E+0 0E+0 -4.33246E+3 0E+0 0E+0
-
-1.000U+4 - 4.000H+ + 4.000H2O = U(OH)4
- log_k -10.000 #03GUI/FAN
- delta_h 109.881 #kJ/mol
- # Enthalpy of formation: -1624.639 #kJ/mol
- -analytic 9.2503E+0 0E+0 -5.73948E+3 0E+0 0E+0
-
-1.000U+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = U(OH)4(HGlu)-
- log_k -5.940 #06GAO/MON
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -5.94E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = U(OH)4(HIsa)-
- log_k -6.700 #06GAO/MON
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -6.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4 - 4.000H+ + 2.000HIsa- + 4.000H2O = U(OH)4(HIsa)2-2
- log_k -5.100 #06GAO/MON
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -5.1E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4 + 2.000Ox-2 = U(Ox)2
- log_k 18.630 #12GRI/GAR2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.863E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4 + 3.000Ox-2 = U(Ox)3-2
- log_k 24.190 #12GRI/GAR2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.419E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4 + 1.000SO4-2 = U(SO4)+2
- log_k 6.580 #92GRE/FUG
- delta_h 8.000 #kJ/mol #92GRE/FUG
- # Enthalpy of formation: -1492.54 #kJ/mol
- -analytic 7.98154E+0 0E+0 -4.17868E+2 0E+0 0E+0
-
-1.000U+4 + 2.000SO4-2 = U(SO4)2
- log_k 10.510 #92GRE/FUG
- delta_h 32.700 #kJ/mol #92GRE/FUG
- # Enthalpy of formation: -2377.18 #kJ/mol
- -analytic 1.62388E+1 0E+0 -1.70804E+3 0E+0 0E+0
-
-1.000U+4 + 1.000Br- = UBr+3
- log_k 1.460 #92GRE/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.46E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4 + 1.000Cl- = UCl+3
- log_k 1.720 #92GRE/FUG
- delta_h -19.000 #kJ/mol #92GRE/FUG
- # Enthalpy of formation: -777.28 #kJ/mol
- -analytic -1.60865E+0 0E+0 9.92438E+2 0E+0 0E+0
-
-1.000U+4 + 1.000F- = UF+3
- log_k 9.420 #03GUI/FAN
- delta_h -5.600 #kJ/mol #92GRE/FUG
- # Enthalpy of formation: -932.15 #kJ/mol
- -analytic 8.43892E+0 0E+0 2.92508E+2 0E+0 0E+0
-
-1.000U+4 + 2.000F- = UF2+2
- log_k 16.560 #03GUI/FAN
- delta_h -3.500 #kJ/mol #92GRE/FUG
- # Enthalpy of formation: -1265.4 #kJ/mol
- -analytic 1.59468E+1 0E+0 1.82817E+2 0E+0 0E+0
-
-1.000U+4 + 3.000F- = UF3+
- log_k 21.890 #03GUI/FAN
- delta_h 0.500 #kJ/mol #92GRE/FUG
- # Enthalpy of formation: -1596.75 #kJ/mol
- -analytic 2.19776E+1 0E+0 -2.61168E+1 0E+0 0E+0
-
-1.000U+4 + 4.000F- = UF4
- log_k 26.340 #03GUI/FAN
- delta_h -8.429 #kJ/mol
- # Enthalpy of formation: -1941.029 #kJ/mol
- -analytic 2.48633E+1 0E+0 4.40277E+2 0E+0 0E+0
-
-1.000U+4 + 5.000F- = UF5-
- log_k 27.730 #03GUI/FAN
- delta_h -11.624 #kJ/mol
- # Enthalpy of formation: -2279.574 #kJ/mol
- -analytic 2.56936E+1 0E+0 6.07163E+2 0E+0 0E+0
-
-1.000U+4 + 6.000F- = UF6-2
- log_k 29.800 #03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.98E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4 + 1.000I- = UI+3
- log_k 1.250 #92GRE/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.25E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 + 1.000Acetate- = UO2(Acetate)+
- log_k 3.020 #11RIC/GRI
- delta_h -35.366 #kJ/mol
- # Enthalpy of formation: -1540.376 #kJ/mol
- -analytic -3.17585E+0 0E+0 1.84729E+3 0E+0 0E+0
-
-1.000UO2+2 + 2.000Acetate- = UO2(Acetate)2
- log_k 5.200 #11RIC/GRI
- delta_h -34.958 #kJ/mol
- # Enthalpy of formation: -2025.978 #kJ/mol
- -analytic -9.2437E-1 0E+0 1.82598E+3 0E+0 0E+0
-
-1.000UO2+2 + 3.000Acetate- = UO2(Acetate)3-
- log_k 7.030 #11RIC/GRI
- delta_h -45.947 #kJ/mol
- # Enthalpy of formation: -2522.977 #kJ/mol
- -analytic -1.01956E+0 0E+0 2.39998E+3 0E+0 0E+0
-
-1.000UO2+2 + 1.000CO3-2 = UO2(CO3)
- log_k 9.940 #03GUI/FAN
- delta_h 5.000 #kJ/mol #92GRE/FUG
- # Enthalpy of formation: -1689.23 #kJ/mol
- -analytic 1.0816E+1 0E+0 -2.61168E+2 0E+0 0E+0
-
-1.000UO2+2 + 2.000CO3-2 = UO2(CO3)2-2
- log_k 16.610 #03GUI/FAN
- delta_h 18.500 #kJ/mol #92GRE/FUG
- # Enthalpy of formation: -2350.96 #kJ/mol
- -analytic 1.98511E+1 0E+0 -9.66321E+2 0E+0 0E+0
-
-1.000UO2+2 + 3.000CO3-2 = UO2(CO3)3-4
- log_k 21.840 #03GUI/FAN
- delta_h -39.200 #kJ/mol
- # Enthalpy of formation: -3083.89 #kJ/mol
- -analytic 1.49725E+1 0E+0 2.04756E+3 0E+0 0E+0
-
-1.000UO2+ + 3.000CO3-2 = UO2(CO3)3-5
- log_k 6.950 #03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.95E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 + 1.000Cit-3 = UO2(Cit)-
- log_k 8.960 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.96E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 + 1.000Edta-4 = UO2(Edta)-2
- log_k 13.700 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.37E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000AsO4-3 + 1.000UO2+2 + 2.000H+ = UO2(H2AsO4)+
- log_k 21.960 #03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.196E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 + 4.000H+ + 2.000AsO4-3 = UO2(H2AsO4)2
- log_k 41.530 #03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.153E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 + 1.000H+ + 2.000H2(PO4)- = UO2(H2PO4)(H3PO4)+
- log_k 5.930 #92GRE/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.93E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 + 1.000H2(PO4)- = UO2(H2PO4)+
- log_k 3.260 #92GRE/FUG
- delta_h -15.340 #kJ/mol
- # Enthalpy of formation: -2336.94 #kJ/mol
- -analytic 5.72551E-1 0E+0 8.01263E+2 0E+0 0E+0
-
-1.000UO2+2 + 2.000H2(PO4)- = UO2(H2PO4)2
- log_k 4.920 #92GRE/FUG
- delta_h -51.871 #kJ/mol
- # Enthalpy of formation: -6902.925 #kJ/mol
- -analytic -4.1674E+0 0E+0 2.70941E+3 0E+0 0E+0
-
-1.000UO2+2 + 1.000H+ + 1.000H2(PO4)- = UO2(H3PO4)+2
- log_k 2.900 #92GRE/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000AsO4-3 + 1.000UO2+2 + 1.000H+ = UO2(HAsO4)
- log_k 18.760 #03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.876E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 + 1.000H+ + 1.000Cit-3 = UO2(HCit)
- log_k 11.360 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.136E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 + 1.000H+ + 1.000Edta-4 = UO2(HEdta)-
- log_k 19.610 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.961E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 + 1.000HIsa- = UO2(HIsa)+
- log_k 3.700 #04RAO/GAR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 + 2.000HIsa- = UO2(HIsa)2
- log_k 6.600 #04RAO/GAR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.6E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 + 3.000HIsa- = UO2(HIsa)3-
- log_k 8.500 #04RAO/GAR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 + 1.000H+ + 1.000Nta-3 = UO2(HNta)
- log_k 9.000 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 - 1.000H+ + 1.000H2(PO4)- = UO2(HPO4)
- log_k 0.030 #92GRE/FUG
- delta_h 2.795 #kJ/mol
- # Enthalpy of formation: -4408.507 #kJ/mol
- -analytic 5.19662E-1 0E+0 -1.45993E+2 0E+0 0E+0
-
-1.000UO2+2 + 2.000I- + 3.000O2 = UO2(IO3)2
- log_k 38.400 #92GRE/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.84E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 + 1.000NO3- = UO2(NO3)+
- log_k 0.100 #08RAO/TIA
- delta_h 3.900 #kJ/mol #08RAO/TIA
- # Enthalpy of formation: -1221.95 #kJ/mol
- -analytic 7.8325E-1 0E+0 -2.03711E+2 0E+0 0E+0
-
-1.000UO2+2 + 1.000Nta-3 = UO2(Nta)-
- log_k 10.800 #95AKR/BOU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.08E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 - 1.000H+ + 1.000Ox-2 + 1.000H2O = UO2(OH)(Ox)-
- log_k 0.630 #56GRI/PTI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.3E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 - 1.000H+ + 1.000H2O = UO2(OH)+
- log_k -5.250 #03GUI/FAN
- delta_h 43.458 #kJ/mol
- # Enthalpy of formation: -1261.372 #kJ/mol
- -analytic 2.3635E+0 0E+0 -2.26997E+3 0E+0 0E+0
-
-1.000UO2+2 - 2.000H+ + 2.000H2O = UO2(OH)2
- log_k -12.150 #03GUI/FAN
- delta_h 111.160 #kJ/mol
- # Enthalpy of formation: -1479.5 #kJ/mol #82WAG/EVA
- -analytic 7.32437E+0 0E+0 -5.80628E+3 0E+0 0E+0
-
-1.000UO2+2 - 3.000H+ + 3.000H2O = UO2(OH)3-
- log_k -20.250 #03GUI/FAN
- delta_h 148.060 #kJ/mol #Estimated by linear correlations
- # Enthalpy of formation: -1728.43 #kJ/mol
- -analytic 5.68896E+0 0E+0 -7.7337E+3 0E+0 0E+0
-
-1.000UO2+2 - 4.000H+ + 1.000HIsa- + 4.000H2O = UO2(OH)4(HIsa)-3
- log_k -28.100 #06GAO/MON
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.81E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 - 4.000H+ + 4.000H2O = UO2(OH)4-2
- log_k -32.400 #03GUI/FAN
- delta_h 156.138 #kJ/mol
- # Enthalpy of formation: -2006.182 #kJ/mol
- -analytic -5.04584E+0 0E+0 -8.15564E+3 0E+0 0E+0
-
-1.000UO2+2 + 1.000Ox-2 = UO2(Ox)
- log_k 7.130 #05HUM/AND
- delta_h 25.360 #kJ/mol
- # Enthalpy of formation: -1824.3 #kJ/mol #05HUM/AND
- -analytic 1.15729E+1 0E+0 -1.32464E+3 0E+0 0E+0
-
-1.000UO2+2 + 2.000Ox-2 = UO2(Ox)2-2
- log_k 11.650 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.165E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 + 3.000Ox-2 = UO2(Ox)3-4
- log_k 13.800 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.38E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 - 2.000H+ + 1.000H2(PO4)- = UO2(PO4)-
- log_k -6.330 #92GRE/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -6.33E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 + 1.000Phthalat-2 = UO2(Phthalat)
- log_k 5.560 #11GRI/COL3
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.56E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 + 1.000S2O3-2 = UO2(S2O3)
- log_k 2.800 #92GRE/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.8E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 + 1.000SO3-2 = UO2(SO3)
- log_k 6.600 #92GRE/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.6E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 + 1.000SO4-2 = UO2(SO4)
- log_k 3.150 #03GUI/FAN
- delta_h 19.500 #kJ/mol #03GUI/FAN
- # Enthalpy of formation: -1908.84 #kJ/mol
- -analytic 6.56625E+0 0E+0 -1.01855E+3 0E+0 0E+0
-
-1.000UO2+2 + 2.000SO4-2 = UO2(SO4)2-2
- log_k 4.140 #03GUI/FAN
- delta_h 35.100 #kJ/mol #03GUI/FAN
- # Enthalpy of formation: -2802.58 #kJ/mol
- -analytic 1.02892E+1 0E+0 -1.8334E+3 0E+0 0E+0
-
-1.000UO2+2 + 3.000SO4-2 = UO2(SO4)3-4
- log_k 3.020 #03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.02E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 + 1.000SeO4-2 = UO2(SeO4)
- log_k 2.740 #05OLI/NOL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.74E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 + 2.000SeO4-2 = UO2(SeO4)2-2
- log_k 3.100 #99DJO/PIZ recalculated in 05OLI/NOL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.1E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 + 1.000Succinat-2 = UO2(Succinat)
- log_k 5.280 #13GRI/CAM
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.28E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 + 1.000Br- = UO2Br+
- log_k 0.220 #92GRE/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.2E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2 + 1.000Br- + 1.500O2 = UO2BrO3+
- log_k -16.570 #92GRE/FUG
- delta_h 73.011 #kJ/mol
- # Enthalpy of formation: -1085.6 #kJ/mol
- -analytic -3.77904E+0 0E+0 -3.81362E+3 0E+0 0E+0
-
-1.000UO2+2 + 1.000Cl- = UO2Cl+
- log_k 0.170 #92GRE/FUG
- delta_h 8.000 #kJ/mol #92GRE/FUG
- # Enthalpy of formation: -1178.08 #kJ/mol
- -analytic 1.57154E+0 0E+0 -4.17868E+2 0E+0 0E+0
-
-1.000UO2+2 + 2.000Cl- = UO2Cl2
- log_k -1.100 #92GRE/FUG
- delta_h 15.000 #kJ/mol #92GRE/FUG
- # Enthalpy of formation: -1338.16 #kJ/mol
- -analytic 1.52788E+0 0E+0 -7.83503E+2 0E+0 0E+0
-
-1.000UO2+2 + 1.000Cl- + 1.500O2 = UO2ClO3+
- log_k -16.770 #92GRE/FUG
- delta_h 77.381 #kJ/mol #92GRE/FUG
- # Enthalpy of formation: -1126.9 #kJ/mol
- -analytic -3.21345E+0 0E+0 -4.04189E+3 0E+0 0E+0
-
-1.000UO2+2 + 1.000F- = UO2F+
- log_k 5.160 #03GUI/FAN
- delta_h 1.700 #kJ/mol #92GRE/FUG
- # Enthalpy of formation: -1352.65 #kJ/mol
- -analytic 5.45783E+0 0E+0 -8.87971E+1 0E+0 0E+0
-
-1.000UO2+2 + 2.000F- = UO2F2
- log_k 8.830 #03GUI/FAN
- delta_h 2.100 #kJ/mol #92GRE/FUG
- # Enthalpy of formation: -1687.6 #kJ/mol
- -analytic 9.1979E+0 0E+0 -1.0969E+2 0E+0 0E+0
-
-1.000UO2+2 + 3.000F- = UO2F3-
- log_k 10.900 #03GUI/FAN
- delta_h 2.350 #kJ/mol #92GRE/FUG
- # Enthalpy of formation: -2022.7 #kJ/mol
- -analytic 1.13117E+1 0E+0 -1.22749E+2 0E+0 0E+0
-
-1.000UO2+2 + 4.000F- = UO2F4-2
- log_k 11.840 #03GUI/FAN
- delta_h 0.290 #kJ/mol #92GRE/FUG
- # Enthalpy of formation: -2360.11 #kJ/mol
- -analytic 1.18908E+1 0E+0 -1.51477E+1 0E+0 0E+0
-
-1.000UO2+2 + 1.000I- + 1.500O2 = UO2IO3+
- log_k 19.410 #92GRE/FUG
- delta_h -134.919 #kJ/mol
- # Enthalpy of formation: -1228.9 #kJ/mol
- -analytic -4.22676E+0 0E+0 7.0473E+3 0E+0 0E+0
-
-1.000UO2+2 - 1.000H+ + 1.000H4(SiO4) = UO2SiO(OH)3+
- log_k -1.840 #03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.84E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4 + 1.000Ox-2 = UOx+2
- log_k 10.670 #12GRI/GAR2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.067E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Zn+2 + 1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 = Zn(SeCn)+
- log_k 57.230
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.723E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Zn+2 + 2.000H+ + 2.000Cn- + 2.000HSe- - 2.000H2O + 1.000O2 = Zn(SeCn)2
- log_k 113.710
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.1371E+2 0E+0 0E+0 0E+0 0E+0
-
-1.000Zn+2 + 1.000SeO4-2 = Zn(SeO4)
- log_k 2.160 #05OLI/NOL
- delta_h 4.600 #kJ/mol #05OLI/NOL
- # Enthalpy of formation: -752.29 #kJ/mol
- -analytic 2.96588E+0 0E+0 -2.40274E+2 0E+0 0E+0
-
-4.000CO3-2 + 1.000Zr+4 = Zr(CO3)4-4
- log_k 42.900 #05BRO/CUR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.29E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000NO3- + 1.000Zr+4 = Zr(NO3)2+2
- log_k 2.640 #05BRO/CUR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.64E+0 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+ + 1.000Zr+4 + 1.000H2O = Zr(OH)+3
- log_k 0.320 #05BRO/CUR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.2E-1 0E+0 0E+0 0E+0 0E+0
-
-- 2.000H+ + 1.000Zr+4 + 2.000H2O = Zr(OH)2+2
- log_k 0.980 #05BRO/CUR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.8E-1 0E+0 0E+0 0E+0 0E+0
-
-- 4.000H+ + 1.000Zr+4 + 4.000H2O = Zr(OH)4
- log_k -2.190 #05BRO/CUR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.19E+0 0E+0 0E+0 0E+0 0E+0
-
-- 6.000H+ + 1.000Zr+4 + 6.000H2O = Zr(OH)6-2
- log_k -29.000 #05BRO/CUR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.9E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000SO4-2 + 1.000Zr+4 = Zr(SO4)2
- log_k 11.540 #05BRO/CUR
- delta_h 67.380 #kJ/mol
- # Enthalpy of formation: -2359.8 #kJ/mol #05BRO/CUR
- -analytic 2.33445E+1 0E+0 -3.5195E+3 0E+0 0E+0
-
-3.000SO4-2 + 1.000Zr+4 = Zr(SO4)3-2
- log_k 14.300 #05BRO/CUR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.43E+1 0E+0 0E+0 0E+0 0E+0
-
-- 4.000H+ + 3.000Zr+4 + 4.000H2O = Zr3(OH)4+8
- log_k 0.400 #05BRO/CUR
- delta_h -1.980 #kJ/mol
- # Enthalpy of formation: -2970.8 #kJ/mol #05BRO/CUR
- -analytic 5.31194E-2 0E+0 1.03422E+2 0E+0 0E+0
-
-- 15.000H+ + 4.000Zr+4 + 15.000H2O = Zr4(OH)15+
- log_k 12.580 #05BRO/CUR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.258E+1 0E+0 0E+0 0E+0 0E+0
-
-- 16.000H+ + 4.000Zr+4 + 16.000H2O = Zr4(OH)16
- log_k 8.390 #05BRO/CUR
- delta_h 301.120 #kJ/mol
- # Enthalpy of formation: -6706.16 #kJ/mol #05BRO/CUR
- -analytic 6.11439E+1 0E+0 -1.57286E+4 0E+0 0E+0
-
-1.000Cl- + 1.000Zr+4 = ZrCl+3
- log_k 1.590 #05BRO/CUR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.59E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000Cl- + 1.000Zr+4 = ZrCl2+2
- log_k 2.170 #05BRO/CUR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.17E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000F- + 1.000Zr+4 = ZrF+3
- log_k 10.120 #05BRO/CUR
- delta_h -17.500 #kJ/mol #05BRO/CUR
- # Enthalpy of formation: -961.35 #kJ/mol
- -analytic 7.05414E+0 0E+0 9.14087E+2 0E+0 0E+0
-
-2.000F- + 1.000Zr+4 = ZrF2+2
- log_k 18.550 #05BRO/CUR
- delta_h -16.800 #kJ/mol #05BRO/CUR
- # Enthalpy of formation: -1296 #kJ/mol
- -analytic 1.56068E+1 0E+0 8.77524E+2 0E+0 0E+0
-
-3.000F- + 1.000Zr+4 = ZrF3+
- log_k 24.720 #05BRO/CUR
- delta_h -11.200 #kJ/mol #05BRO/CUR
- # Enthalpy of formation: -1625.75 #kJ/mol
- -analytic 2.27578E+1 0E+0 5.85016E+2 0E+0 0E+0
-
-4.000F- + 1.000Zr+4 = ZrF4
- log_k 30.110 #05BRO/CUR
- delta_h -22.000 #kJ/mol #05BRO/CUR
- # Enthalpy of formation: -1971.9 #kJ/mol
- -analytic 2.62558E+1 0E+0 1.14914E+3 0E+0 0E+0
-
-5.000F- + 1.000Zr+4 = ZrF5-
- log_k 34.600 #05BRO/CUR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.46E+1 0E+0 0E+0 0E+0 0E+0
-
-6.000F- + 1.000Zr+4 = ZrF6-2
- log_k 38.110 #05BRO/CUR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.811E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000NO3- + 1.000Zr+4 = ZrNO3+3
- log_k 1.590 #05BRO/CUR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.59E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000SO4-2 + 1.000Zr+4 = ZrSO4+2
- log_k 7.040 #05BRO/CUR
- delta_h 36.940 #kJ/mol
- # Enthalpy of formation: -1480.9 #kJ/mol #05BRO/CUR
- -analytic 1.35116E+1 0E+0 -1.92951E+3 0E+0 0E+0
-
-
-
-
-PHASES
-
-(UO2)2(As2O7)(cr)
-(UO2)2(As2O7) = 2.000UO2+2 + 2.000H+ + 2.000AsO4-3 - 1.000H2O
- log_k -29.010
- delta_h -102.450 #kJ/mol
- # Enthalpy of formation: -3426 #kJ/mol #92GRE/FUG
- -analytic -4.69584E+1 0E+0 5.35133E+3 0E+0 0E+0
-
-(UO2)3(AsO4)2(cr)
-(UO2)3(AsO4)2 = 3.000UO2+2 + 2.000AsO4-3
- log_k -27.400
- delta_h -143.880 #kJ/mol
- # Enthalpy of formation: -4689.4 #kJ/mol #92GRE/FUG
- -analytic -5.26067E+1 0E+0 7.51536E+3 0E+0 0E+0
-
-(UO2)3(PO4)2(cr)
-(UO2)3(PO4)2 = 3.000UO2+2 - 4.000H+ + 2.000H2(PO4)-
- log_k 2.800
- delta_h -170.900 #kJ/mol
- # Enthalpy of formation: -5491.3 #kJ/mol #92GRE/FUG
- -analytic -2.71404E+1 0E+0 8.92672E+3 0E+0 0E+0
-
-(UO2)3(PO4)2:4H2O(cr)
-(UO2)3(PO4)2:4H2O = 3.000UO2+2 - 4.000H+ + 2.000H2(PO4)- + 4.000H2O
- log_k -14.150 #92SAN/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.415E+1 0E+0 0E+0 0E+0 0E+0
-
-(UO2)3(PO4)2:6H2O(s)
-(UO2)3(PO4)2:6H2O = 3.000UO2+2 - 4.000H+ + 2.000H2(PO4)- + 6.000H2O
- log_k -10.200
- delta_h -48.780 #kJ/mol
- # Enthalpy of formation: -7328.4 #kJ/mol #03GUI/FAN
- -analytic -1.87459E+1 0E+0 2.54795E+3 0E+0 0E+0
-
-Acanthite
-Ag2S = 2.000Ag+ - 1.000H+ + 1.000HS-
- log_k -36.070
- delta_h 224.768 #kJ/mol
- # Enthalpy of formation: -29.488 #kJ/mol
- -analytic 3.30761E+0 0E+0 -1.17404E+4 0E+0 0E+0
-
-Acmite
-NaFeSi2O6 = 1.000Na+ + 1.000Fe+3 - 4.000H+ + 2.000H4(SiO4) - 2.000H2O
- log_k 0.920
- delta_h -55.568 #kJ/mol
- # Enthalpy of formation: -2584.5 #kJ/mol #95ROB/HEM
- -analytic -8.81508E+0 0E+0 2.90251E+3 0E+0 0E+0
-
-Afwillite
-Ca3Si2O4(OH)6 = 3.000Ca+2 - 6.000H+ + 2.000H4(SiO4) + 2.000H2O
- log_k 49.420 #10BLA/BOU1
- delta_h -269.228 #kJ/mol
- # Enthalpy of formation: -4853.82 #kJ/mol #10BLA/BOU1
- -analytic 2.25335E+0 0E+0 1.40627E+4 0E+0 0E+0
-
-Ag(OH)(s)
-Ag(OH) = 1.000Ag+ - 1.000H+ + 1.000H2O
- log_k 6.300 #76BAE/MES
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.3E+0 0E+0 0E+0 0E+0 0E+0
-
-Ag(SeCn)(cr)
-Ag(SeCn) = 1.000Ag+ + 1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2
- log_k -70.020
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -7.002E+1 0E+0 0E+0 0E+0 0E+0
-
-Ag(s)
-Ag = 1.000Ag+ + 0.500H2O - 1.000H+ - 0.250O2
- log_k 7.985
- delta_h -34.092 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #95SIL/BID
- -analytic 2.01243E+0 0E+0 1.78072E+3 0E+0 0E+0
-
-Ag2(CO3)(s)
-Ag2(CO3) = 2.000Ag+ + 1.000CO3-2
- log_k -11.050
- delta_h 42.073 #kJ/mol
- # Enthalpy of formation: -505.723 #kJ/mol
- -analytic -3.67914E+0 0E+0 -2.19762E+3 0E+0 0E+0
-
-Ag2(MoO4)(s)
-Ag2(MoO4) = 2.000Ag+ + 1.000MoO4-2
- log_k -11.460
- delta_h 55.354 #kJ/mol
- # Enthalpy of formation: -840.774 #kJ/mol
- -analytic -1.76241E+0 0E+0 -2.89134E+3 0E+0 0E+0
-
-Ag2(SO4)(s)
-Ag2(SO4) = 2.000Ag+ + 1.000SO4-2
- log_k -5.010
- delta_h 18.162 #kJ/mol
- # Enthalpy of formation: -715.922 #kJ/mol
- -analytic -1.82816E+0 0E+0 -9.48666E+2 0E+0 0E+0
-
-Ag2(SeO3)(s)
-Ag2(SeO3) = 2.000Ag+ + 1.000SeO3-2
- log_k -15.800 #05OLI/NOL
- delta_h 67.860 #kJ/mol
- # Enthalpy of formation: -363.44 #kJ/mol #05OLI/NOL
- -analytic -3.91146E+0 0E+0 -3.54457E+3 0E+0 0E+0
-
-Ag2(SeO4)(s)
-Ag2(SeO4) = 2.000Ag+ + 1.000SeO4-2
- log_k -7.860 #05OLI/NOL
- delta_h 30.590 #kJ/mol
- # Enthalpy of formation: -422.51 #kJ/mol #05OLI/NOL
- -analytic -2.50087E+0 0E+0 -1.59782E+3 0E+0 0E+0
-
-Ag2Se(alfa)
-Ag2Se = 2.000Ag+ - 1.000H+ + 1.000HSe-
- log_k -42.850
- delta_h 266.009 #kJ/mol
- # Enthalpy of formation: -40.129 #kJ/mol
- -analytic 3.75271E+0 0E+0 -1.38946E+4 0E+0 0E+0
-
-Ag3(PO4)(s)
-Ag3(PO4) = 3.000Ag+ - 2.000H+ + 1.000H2(PO4)-
- log_k 2.010 #03B¿T in 76SMI/MAR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.01E+0 0E+0 0E+0 0E+0 0E+0
-
-AgBr(s)
-AgBr = 1.000Ag+ + 1.000Br-
- log_k -12.290
- delta_h 84.725 #kJ/mol
- # Enthalpy of formation: -100.345 #kJ/mol
- -analytic 2.55316E+0 0E+0 -4.42549E+3 0E+0 0E+0
-
-AgCl(cr)
-AgCl = 1.000Ag+ + 1.000Cl-
- log_k -9.750
- delta_h 65.720 #kJ/mol
- # Enthalpy of formation: -127.01 #kJ/mol #92GRE/FUG
- -analytic 1.76363E+0 0E+0 -3.43279E+3 0E+0 0E+0
-
-AgI(s)
-AgI = 1.000Ag+ + 1.000I-
- log_k -16.040
- delta_h 110.764 #kJ/mol
- # Enthalpy of formation: -61.754 #kJ/mol
- -analytic 3.36499E+0 0E+0 -5.7856E+3 0E+0 0E+0
-
-Al(PO4)(cr)
-Al(PO4) = 1.000Al+3 - 2.000H+ + 1.000H2(PO4)-
- log_k -2.940 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -1822.8 #kJ/mol
- -analytic -2.94E+0 0E+0 0E+0 0E+0 0E+0
-
-Al(PO4):2H2O(s)
-Al(PO4):2H2O = 1.000Al+3 - 2.000H+ + 1.000H2(PO4)- + 2.000H2O
- log_k -2.510 #620BRG91.025 ANDRA 21.10.94
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.51E+0 0E+0 0E+0 0E+0 0E+0
-
-Al(s)
-Al = 1.000Al+3 + 1.500H2O - 3.000H+ - 0.750O2
- log_k 149.915
- delta_h -958.045 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #95POK/HEL
- -analytic -1.79269E+1 0E+0 5.00421E+4 0E+0 0E+0
-
-Al2(OH)(PO4)2(s)
-Al2(OH)(PO4)2 = 2.000Al+3 - 4.000H+ + 2.000H2(PO4)- + 0.500H2O + 0.250O2
- log_k -37.375 #620BRG91.025 ANDRA 21.10.94
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.7375E+1 0E+0 0E+0 0E+0 0E+0
-
-Alabandite
-MnS = 1.000Mn+2 - 1.000H+ + 1.000HS-
- log_k 0.900 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9E-1 0E+0 0E+0 0E+0 0E+0
-
-Alamosite
-PbSiO3 = 1.000Pb+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O
- log_k 6.170
- delta_h -29.451 #kJ/mol
- # Enthalpy of formation: -1144.993 #kJ/mol #98CHA
- -analytic 1.01041E+0 0E+0 1.53833E+3 0E+0 0E+0
-
-Albite-high
-NaAlSi3O8 = 1.000Na+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 4.000H2O
- log_k 4.140
- delta_h -95.623 #kJ/mol
- # Enthalpy of formation: -3923.38 #kJ/mol #99ARN/STE
- -analytic -1.26124E+1 0E+0 4.99473E+3 0E+0 0E+0
-
-Albite-low
-NaAlSi3O8 = 1.000Na+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 4.000H2O
- log_k 2.740
- delta_h -82.813 #kJ/mol
- # Enthalpy of formation: -3936.19 #kJ/mol #99ARN/STE
- -analytic -1.17682E+1 0E+0 4.32562E+3 0E+0 0E+0
-
-Am(CO3)(OH)(am)
-Am(CO3)(OH) = - 1.000H+ + 1.000Am+3 + 1.000CO3-2 + 1.000H2O
- log_k -6.200 #03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -6.2E+0 0E+0 0E+0 0E+0 0E+0
-
-Am(CO3)(OH)(cr)
-Am(CO3)(OH) = - 1.000H+ + 1.000Am+3 + 1.000CO3-2 + 1.000H2O
- log_k -11.510
- delta_h -25.260 #kJ/mol
- # Enthalpy of formation: -1552.5 #kJ/mol #05ROR/FUG
- -analytic -1.59354E+1 0E+0 1.31942E+3 0E+0 0E+0
-
-Am(CO3)(OH):0.5H2O(cr)
-Am(CO3)(OH):0.5H2O = - 1.000H+ + 1.000Am+3 + 1.000CO3-2 + 1.500H2O
- log_k -8.400 #03GUI/FAN
- delta_h -37.775 #kJ/mol
- # Enthalpy of formation: -1682.9 #kJ/mol #03GUI/FAN
- -analytic -1.50179E+1 0E+0 1.97312E+3 0E+0 0E+0
-
-Am(CO3)2Na:5H2O(s)
-Am(CO3)2Na:5H2O = 1.000Na+ + 1.000Am+3 + 2.000CO3-2 + 5.000H2O
- log_k -21.000 #03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.1E+1 0E+0 0E+0 0E+0 0E+0
-
-Am(OH)3(am)
-Am(OH)3 = - 3.000H+ + 1.000Am+3 + 3.000H2O
- log_k 16.900 #03GUI/FAN, 83RAI/STR, 83EDE/BUC, 85NIT/EDE
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.69E+1 0E+0 0E+0 0E+0 0E+0
-
-Am(OH)3(cr)
-Am(OH)3 = - 3.000H+ + 1.000Am+3 + 3.000H2O
- log_k 15.600 #03GUI/FAN, 82SIL, 88STA/KIM1
- delta_h -120.992 #kJ/mol
- # Enthalpy of formation: -1353.2 #kJ/mol
- -analytic -5.59686E+0 0E+0 6.31984E+3 0E+0 0E+0
-
-Am(PO4):xH2O(am)
-Am(PO4) = - 2.000H+ + 1.000Am+3 + 1.000H2(PO4)-
- log_k -5.230 #95SIL/BID
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -5.23E+0 0E+0 0E+0 0E+0 0E+0
-
-Am(cr)
-Am = 1.000Am+3 + 1.500H2O - 3.000H+ - 0.750O2
- log_k 169.375
- delta_h -1036.345 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #95SIL/BID
- -analytic -1.21845E+1 0E+0 5.4132E+4 0E+0 0E+0
-
-Am2(CO3)3(cr)
-Am2(CO3)3 = 2.000Am+3 + 3.000CO3-2
- log_k -33.400 #95SIL/BID
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.34E+1 0E+0 0E+0 0E+0 0E+0
-
-Am2O3(cr)
-Am2O3 = - 6.000H+ + 2.000Am+3 + 3.000H2O
- log_k 53.150
- delta_h -400.490 #kJ/mol
- # Enthalpy of formation: -1690.4 #kJ/mol #95SIL/BID
- -analytic -1.70127E+1 0E+0 2.0919E+4 0E+0 0E+0
-
-AmBr3(cr)
-AmBr3 = 1.000Am+3 + 3.000Br-
- log_k 23.930
- delta_h -176.930 #kJ/mol
- # Enthalpy of formation: -804 #kJ/mol #03GUI/FAN
- -analytic -7.06676E+0 0E+0 9.24168E+3 0E+0 0E+0
-
-AmCl3(cr)
-AmCl3 = 1.000Am+3 + 3.000Cl-
- log_k 15.280
- delta_h -140.140 #kJ/mol
- # Enthalpy of formation: -977.8 #kJ/mol #95SIL/BID
- -analytic -9.27144E+0 0E+0 7.32001E+3 0E+0 0E+0
-
-AmCl6Cs2Na(cr)
-AmCl6Cs2Na = 1.000Na+ + 2.000Cs+ + 1.000Am+3 + 6.000Cl-
- log_k 12.560
- delta_h -59.720 #kJ/mol
- # Enthalpy of formation: -2315.8 #kJ/mol #03GUI/FAN
- -analytic 2.09752E+0 0E+0 3.11939E+3 0E+0 0E+0
-
-AmF3(cr)
-AmF3 = 1.000Am+3 + 3.000F-
- log_k -13.400
- delta_h -28.750 #kJ/mol
- # Enthalpy of formation: -1594 #kJ/mol #03GUI/FAN
- -analytic -1.84368E+1 0E+0 1.50171E+3 0E+0 0E+0
-
-AmI3(cr)
-AmI3 = 1.000Am+3 + 3.000I-
- log_k 25.300
- delta_h -172.040 #kJ/mol
- # Enthalpy of formation: -615 #kJ/mol #03GUI/FAN
- -analytic -4.84007E+0 0E+0 8.98626E+3 0E+0 0E+0
-
-AmO2(cr)
-AmO2 = - 3.000H+ + 1.000Am+3 + 1.500H2O + 0.250O2
- log_k 12.715
- delta_h -116.279 #kJ/mol
- # Enthalpy of formation: -932.2 #kJ/mol #95SIL/BID
- -analytic -7.65609E+0 0E+0 6.07364E+3 0E+0 0E+0
-
-AmO2OH(am)
-AmO2OH = - 1.000H+ + 1.000AmO2+ + 1.000H2O
- log_k 5.300 #03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.3E+0 0E+0 0E+0 0E+0 0E+0
-
-AmOBr(cr)
-AmOBr = - 2.000H+ + 1.000Am+3 + 1.000Br- + 1.000H2O
- log_k 15.980
- delta_h -136.940 #kJ/mol
- # Enthalpy of formation: -887 #kJ/mol #03GUI/FAN
- -analytic -8.01082E+0 0E+0 7.15286E+3 0E+0 0E+0
-
-AmOCl(cr)
-AmOCl = - 2.000H+ + 1.000Am+3 + 1.000Cl- + 1.000H2O
- log_k 12.260
- delta_h -119.810 #kJ/mol
- # Enthalpy of formation: -949.8 #kJ/mol #95SIL/BID
- -analytic -8.72978E+0 0E+0 6.2581E+3 0E+0 0E+0
-
-Amesite
-Mg4Al4Si2O10(OH)8 = 4.000Mg+2 + 4.000Al+3 - 20.000H+ + 2.000H4(SiO4) + 10.000H2O
- log_k 69.420
- delta_h -766.388 #kJ/mol
- # Enthalpy of formation: -9035.9 #kJ/mol #05VID/PAR
- -analytic -6.48452E+1 0E+0 4.00312E+4 0E+0 0E+0
-
-Amesite-Fe
-Fe4Al4Si2O10(OH)8 = 4.000Fe+2 + 4.000Al+3 - 20.000H+ + 2.000H4(SiO4) + 10.000H2O
- log_k 57.040
- delta_h -686.828 #kJ/mol
- # Enthalpy of formation: -7607.46 #kJ/mol #05VID/PAR
- -analytic -6.32869E+1 0E+0 3.58755E+4 0E+0 0E+0
-
-Analcime
-Na0.99Al0.99Si2.01O6:H2O = 0.990Na+ + 0.990Al+3 - 3.960H+ + 2.010H4(SiO4) - 1.040H2O
- log_k 6.650
- delta_h -102.689 #kJ/mol
- # Enthalpy of formation: -3308 #kJ/mol #04NEU/HOV
- -analytic -1.13403E+1 0E+0 5.36381E+3 0E+0 0E+0
-
-Anapaite
-Ca2Fe(PO4)2:4H2O = 2.000Ca+2 + 1.000Fe+2 - 4.000H+ + 2.000H2(PO4)- + 4.000H2O
- log_k 5.020 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.02E+0 0E+0 0E+0 0E+0 0E+0
-
-Anglesite
-Pb(SO4) = 1.000Pb+2 + 1.000SO4-2
- log_k -7.850
- delta_h 11.550 #kJ/mol
- # Enthalpy of formation: -919.97 #kJ/mol #89COX/WAG
- -analytic -5.82653E+0 0E+0 -6.03298E+2 0E+0 0E+0
-
-Anhydrite
-Ca(SO4) = 1.000Ca+2 + 1.000SO4-2
- log_k -4.440
- delta_h -17.940 #kJ/mol
- # Enthalpy of formation: -1434.4 #kJ/mol #95ROB/HEM
- -analytic -7.58295E+0 0E+0 9.3707E+2 0E+0 0E+0
-
-Annite
-KFe3Si3AlO10(OH)2 = 1.000K+ + 3.000Fe+2 + 1.000Al+3 - 10.000H+ + 3.000H4(SiO4)
- log_k 32.770
- delta_h -313.152 #kJ/mol
- # Enthalpy of formation: -5130.97 #kJ/mol #95DAC/BEN
- -analytic -2.20918E+1 0E+0 1.6357E+4 0E+0 0E+0
-
-Anorthite
-CaAl2Si2O8 = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 2.000H4(SiO4)
- log_k 25.310
- delta_h -314.358 #kJ/mol
- # Enthalpy of formation: -4227.83 #kJ/mol #99ARN/STE
- -analytic -2.97631E+1 0E+0 1.642E+4 0E+0 0E+0
-
-Antarcticite
-CaCl2:6H2O = 1.000Ca+2 + 2.000Cl- + 6.000H2O
- log_k 3.940
- delta_h 13.990 #kJ/mol
- # Enthalpy of formation: -2606.13 #kJ/mol #87GAR/PAR
- -analytic 6.39094E+0 0E+0 -7.30748E+2 0E+0 0E+0
-
-Antigorite
-Mg48Si34O85(OH)62 = 48.000Mg+2 - 96.000H+ + 34.000H4(SiO4) + 11.000H2O
- log_k 500.160
- delta_h -3822.746 #kJ/mol
- # Enthalpy of formation: -71417.98 #kJ/mol #98HOL/POW
- -analytic -1.69555E+2 0E+0 1.99676E+5 0E+0 0E+0
-
-Aragonite
-CaCO3 = 1.000Ca+2 + 1.000CO3-2
- log_k -8.310
- delta_h -10.454 #kJ/mol
- # Enthalpy of formation: -1207.776 #kJ/mol #87GAR/PAR
- -analytic -1.01415E+1 0E+0 5.4605E+2 0E+0 0E+0
-
-Arcanite
-K2SO4 = 2.000K+ + 1.000SO4-2
- log_k -1.850
- delta_h 24.080 #kJ/mol
- # Enthalpy of formation: -1437.7 #kJ/mol #95ROB/HEM
- -analytic 2.36863E+0 0E+0 -1.25778E+3 0E+0 0E+0
-
-Artinite
-Mg2(CO3)(OH)2:3H2O = 2.000Mg+2 - 2.000H+ + 1.000CO3-2 + 5.000H2O
- log_k 9.810
- delta_h -117.780 #kJ/mol
- # Enthalpy of formation: -2920.6 #kJ/mol #73HEM/ROB
- -analytic -1.08241E+1 0E+0 6.15207E+3 0E+0 0E+0
-
-As(s)
-As = 3.000H+ + 1.000AsO4-3 - 1.500H2O - 1.250O2
- log_k 54.885
- delta_h -444.228 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #09RAN/FUG
- -analytic -2.29402E+1 0E+0 2.32036E+4 0E+0 0E+0
-
-As2O5(s)
-As2O5 = 6.000H+ + 2.000AsO4-3 - 3.000H2O
- log_k -35.340
- delta_h 10.640 #kJ/mol
- # Enthalpy of formation: -929.43 #kJ/mol #65BEE/MOR
- -analytic -3.3476E+1 0E+0 -5.55765E+2 0E+0 0E+0
-
-B(OH)3(cr)
-B(OH)3 = 1.000H+ + 1.000B(OH)4- - 1.000H2O
- log_k -9.310
- delta_h 35.514 #kJ/mol
- # Enthalpy of formation: -1094.8 #kJ/mol #01LEM/FUG
- -analytic -3.08822E+0 0E+0 -1.85502E+3 0E+0 0E+0
-
-B(cr)
-B = 1.000H+ + 1.000B(OH)4- - 2.500H2O - 0.750O2
- log_k 100.415
- delta_h -621.441 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG
- -analytic -8.45654E+0 0E+0 3.24601E+4 0E+0 0E+0
-
-B2O3(am)
-B2O3 = 2.000H+ + 2.000B(OH)4- - 5.000H2O
- log_k -10.630
- delta_h -6.711 #kJ/mol
- # Enthalpy of formation: -1254.371 #kJ/mol
- -analytic -1.18057E+1 0E+0 3.50539E+2 0E+0 0E+0
-
-B2O3(cr)
-B2O3 = 2.000H+ + 2.000B(OH)4- - 5.000H2O
- log_k -12.740
- delta_h 12.418 #kJ/mol
- # Enthalpy of formation: -1273.5 #kJ/mol #01LEM/FUG
- -analytic -1.05645E+1 0E+0 -6.48636E+2 0E+0 0E+0
-
-Ba(OH)2:8H2O(cr)
-Ba(OH)2:8H2O = 1.000Ba+2 - 2.000H+ + 10.000H2O
- log_k 23.870
- delta_h -52.509 #kJ/mol
- # Enthalpy of formation: -3340.591 #kJ/mol
- -analytic 1.46708E+1 0E+0 2.74273E+3 0E+0 0E+0
-
-Ba(SeO3)(s)
-Ba(SeO3) = 1.000Ba+2 + 1.000SeO3-2
- log_k -6.500 #05OLI/NOL
- delta_h -5.260 #kJ/mol
- # Enthalpy of formation: -1036.7 #kJ/mol #05OLI/NOL
- -analytic -7.42151E+0 0E+0 2.74749E+2 0E+0 0E+0
-
-Ba(SeO4)(cr)
-Ba(SeO4) = 1.000Ba+2 + 1.000SeO4-2
- log_k -7.560 #05OLI/NOL
- delta_h 5.700 #kJ/mol
- # Enthalpy of formation: -1144 #kJ/mol #05OLI/NOL
- -analytic -6.5614E+0 0E+0 -2.97731E+2 0E+0 0E+0
-
-Ba(cr)
-Ba = 1.000Ba+2 + 1.000H2O - 2.000H+ - 0.500O2
- log_k 140.690
- delta_h -814.563 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG
- -analytic -2.0151E+0 0E+0 4.25475E+4 0E+0 0E+0
-
-BaCl2(cr)
-BaCl2 = 1.000Ba+2 + 2.000Cl-
- log_k 2.300
- delta_h -13.760 #kJ/mol
- # Enthalpy of formation: -855.2 #kJ/mol #95SIL/BID
- -analytic -1.10645E-1 0E+0 7.18734E+2 0E+0 0E+0
-
-BaCl2:2H2O(s)
-BaCl2:2H2O = 1.000Ba+2 + 2.000Cl- + 2.000H2O
- log_k -0.340
- delta_h 19.418 #kJ/mol
- # Enthalpy of formation: -1460.038 #kJ/mol
- -analytic 3.06188E+0 0E+0 -1.01427E+3 0E+0 0E+0
-
-BaCl2:H2O(s)
-BaCl2:H2O = 1.000Ba+2 + 2.000Cl- + 1.000H2O
- log_k 0.280
- delta_h 5.746 #kJ/mol
- # Enthalpy of formation: -1160.536 #kJ/mol
- -analytic 1.28665E+0 0E+0 -3.00134E+2 0E+0 0E+0
-
-BaF2(cr)
-BaF2 = 1.000Ba+2 + 2.000F-
- log_k -6.320
- delta_h 1.631 #kJ/mol
- # Enthalpy of formation: -1207.131 #kJ/mol
- -analytic -6.03426E+0 0E+0 -8.51929E+1 0E+0 0E+0
-
-BaHPO4(s)
-BaHPO4 = 1.000Ba+2 - 1.000H+ + 1.000H2(PO4)-
- log_k -0.190 #66SPI/MIK in 76SMI/MAR
- delta_h -22.800 #kJ/mol
- # Enthalpy of formation: -1814.6 #kJ/mol #82WAG/EVA
- -analytic -4.18438E+0 0E+0 1.19093E+3 0E+0 0E+0
-
-BaMoO4(s)
-BaMoO4 = 1.000Ba+2 + 1.000MoO4-2
- log_k -7.830
- delta_h 13.822 #kJ/mol
- # Enthalpy of formation: -1545.622 #kJ/mol
- -analytic -5.40849E+0 0E+0 -7.21972E+2 0E+0 0E+0
-
-BaO(cr)
-BaO = 1.000Ba+2 - 2.000H+ + 1.000H2O
- log_k 48.070
- delta_h -272.530 #kJ/mol
- # Enthalpy of formation: -548.1 #kJ/mol #95SIL/BID
- -analytic 3.24864E-1 0E+0 1.42352E+4 0E+0 0E+0
-
-BaS(s)
-BaS = 1.000Ba+2 - 1.000H+ + 1.000HS-
- log_k 15.660
- delta_h -90.248 #kJ/mol
- # Enthalpy of formation: -460.852 #kJ/mol
- -analytic -1.50748E-1 0E+0 4.71397E+3 0E+0 0E+0
-
-Barite
-Ba(SO4) = 1.000Ba+2 + 1.000SO4-2
- log_k -9.970 #85LAN/MEL in 90NOR/PLU
- delta_h 26.460 #kJ/mol #85LAN/MEL in 90NOR/PLU
- # Enthalpy of formation: -1470.6 #kJ/mol
- -analytic -5.33441E+0 0E+0 -1.3821E+3 0E+0 0E+0
-
-Bassanite
-CaSO4:0.5H2O = 1.000Ca+2 + 1.000SO4-2 + 0.500H2O
- log_k -3.920 #06BLA/PIA
- delta_h -17.358 #kJ/mol
- # Enthalpy of formation: -1577.897 #kJ/mol
- -analytic -6.96099E+0 0E+0 9.0667E+2 0E+0 0E+0
-
-Bassetite
-Fe(UO2)2(PO4)2 = 1.000Fe+2 + 2.000UO2+2 - 4.000H+ + 2.000H2(PO4)-
- log_k -1.070 #65MUT/HIR
- delta_h -36.464 #kJ/mol
- # Enthalpy of formation: -8996.928 #kJ/mol
- -analytic -7.45821E+0 0E+0 1.90464E+3 0E+0 0E+0
-
-Becquerelite(nat)
-Ca(UO2)6O4(OH)6:8H2O = 1.000Ca+2 + 6.000UO2+2 - 14.000H+ + 18.000H2O
- log_k 29.000 #97CAS/BRU
- delta_h -378.310 #kJ/mol
- # Enthalpy of formation: -11423.63 #kJ/mol #99CHE/EWI
- -analytic -3.7277E+1 0E+0 1.97605E+4 0E+0 0E+0
-
-Becquerelite(syn)
-Ca(UO2)6O4(OH)6:8H2O = 1.000Ca+2 + 6.000UO2+2 - 14.000H+ + 18.000H2O
- log_k 40.500 #03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.05E+1 0E+0 0E+0 0E+0 0E+0
-
-Beidellite-Ca
-Ca0.17Al2.34Si3.66O10(OH)2 = 0.170Ca+2 + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
- log_k 5.770
- delta_h -207.635 #kJ/mol
- # Enthalpy of formation: -5737.91 #kJ/mol #15BLA/VIE
- -analytic -3.0606E+1 0E+0 1.08455E+4 0E+0 0E+0
-
-Beidellite-K
-K0.34Al2.34Si3.66O10(OH)2 = 0.340K+ + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
- log_k 4.600
- delta_h -189.102 #kJ/mol
- # Enthalpy of formation: -5749.86 #kJ/mol #15BLA/VIE
- -analytic -2.85292E+1 0E+0 9.87747E+3 0E+0 0E+0
-
-Beidellite-Mg
-Mg0.17Al2.34Si3.66O10(OH)2 = 0.170Mg+2 + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
- log_k 5.230
- delta_h -208.815 #kJ/mol
- # Enthalpy of formation: -5723.81 #kJ/mol #15BLA/VIE
- -analytic -3.13528E+1 0E+0 1.09072E+4 0E+0 0E+0
-
-Beidellite-Na
-Na0.34Al2.34Si3.66O10(OH)2 = 0.340Na+ + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
- log_k 5.100
- delta_h -197.720 #kJ/mol
- # Enthalpy of formation: -5737.23 #kJ/mol #15BLA/VIE
- -analytic -2.9539E+1 0E+0 1.03276E+4 0E+0 0E+0
-
-Beidellite_SBld-1
-Ca0.185K0.104(Si3.574Al0.426)(Al1.812Mg0.090Fe0.112)O10(OH)2 = 0.185Ca+2 + 0.090Mg+2 + 0.104K+ + 0.112Fe+3 + 2.238Al+3 - 7.704H+ + 3.574H4(SiO4) - 2.296H2O
- log_k 7.590
- delta_h -224.486 #kJ/mol
- # Enthalpy of formation: -5720.69 #kJ/mol #12GAI/BLA
- -analytic -3.17382E+1 0E+0 1.17257E+4 0E+0 0E+0
-
-Beidellite_SBld-1(4.576H2O)
-Ca0.185K0.104Si3.574Al2.238Mg0.090Fe0.112O10(OH)2:4.576H2O = 0.185Ca+2 + 0.090Mg+2 + 0.104K+ + 0.112Fe+3 + 2.238Al+3 - 7.704H+ + 3.574H4(SiO4) + 2.280H2O
- log_k 4.290
- delta_h -193.685 #kJ/mol
- # Enthalpy of formation: -7059.45 #kJ/mol #12GAI/BLA
- -analytic -2.96421E+1 0E+0 1.01169E+4 0E+0 0E+0
-
-Berlinite
-Al(PO4) = 1.000Al+3 - 2.000H+ + 1.000H2(PO4)-
- log_k -0.570 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -5.7E-1 0E+0 0E+0 0E+0 0E+0
-
-Berndtite
-SnS2 = 1.000Sn+4 - 2.000H+ + 2.000HS-
- log_k -37.560
- delta_h 87.401 #kJ/mol
- # Enthalpy of formation: -151.5 #kJ/mol #12GAM/GAJ
- -analytic -2.2248E+1 0E+0 -4.56527E+3 0E+0 0E+0
-
-Berthierine(FeII)
-(Fe2Al)(SiAl)O5(OH)4 = 2.000Al+3 + 1.000H4(SiO4) + 2.000Fe+2 + 5.000H2O - 10.000H+
- log_k 34.560
- delta_h -376.684 #kJ/mol
- # Enthalpy of formation: -3770.46 #kJ/mol #15BLA/VIE
- -analytic -3.14321E+1 0E+0 1.96755E+4 0E+0 0E+0
-
-Berthierine(FeIII)
-(Fe2.34Fe0.33Al0.33)(Si1.34Al0.66)O5(OH)4 = 0.330Fe+3 + 2.340Fe+2 + 0.990Al+3 - 8.640H+ + 1.340H4(SiO4) + 3.640H2O
- log_k 28.800
- delta_h -300.177 #kJ/mol
- # Enthalpy of formation: -3458.03 #kJ/mol #15BLA/VIE
- -analytic -2.37887E+1 0E+0 1.56793E+4 0E+0 0E+0
-
-Berthierine_ISGS
-(Si1.332Al0.668)(Al0.976Fe0.182Fe1.44Mg0.157)O5(OH)4 = 0.157Mg+2 + 0.182Fe+3 + 1.644Al+3 + 1.332H4(SiO4) + 1.440Fe+2 + 3.672H2O - 8.672H+
- log_k 27.930
- delta_h -318.385 #kJ/mol
- # Enthalpy of formation: -3774.46 #kJ/mol #13BLA/GAI2
- -analytic -2.78486E+1 0E+0 1.66304E+4 0E+0 0E+0
-
-Berthierine_Lorraine
-Fe0.608Fe0.936Mg0.37Al1.052Si1.52O5(OH)4 = 0.370Mg+2 + 0.936Fe+3 + 0.608Fe+2 + 1.052Al+3 - 7.920H+ + 1.520H4(SiO4) + 2.920H2O
- log_k 1.030
- delta_h -162.510 #kJ/mol
- # Enthalpy of formation: -3732.9 #kJ/mol #08GAI
- -analytic -2.74405E+1 0E+0 8.48848E+3 0E+0 0E+0
-
-Bieberite
-CoSO4:7H2O = 1.000Co+2 + 1.000SO4-2 + 7.000H2O
- log_k -2.350
- delta_h 11.840 #kJ/mol
- # Enthalpy of formation: -2979.59 #kJ/mol #74NAU/RYZ
- -analytic -2.75724E-1 0E+0 -6.18445E+2 0E+0 0E+0
-
-Bischofite
-MgCl2:6H2O = 1.000Mg+2 + 2.000Cl- + 6.000H2O
- log_k 4.460 #84HAR/MOL
- delta_h -8.710 #kJ/mol
- # Enthalpy of formation: -2507.43 #kJ/mol
- -analytic 2.93408E+0 0E+0 4.54954E+2 0E+0 0E+0
-
-Bloedite
-Na2Mg(SO4)2:4H2O = 1.000Mg+2 + 2.000Na+ + 2.000SO4-2 + 4.000H2O
- log_k -2.350 #84HAR/MOL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.35E+0 0E+0 0E+0 0E+0 0E+0
-
-Boehmite
-AlO(OH) = 1.000Al+3 - 3.000H+ + 2.000H2O
- log_k 7.620
- delta_h -113.660 #kJ/mol
- # Enthalpy of formation: -996.4 #kJ/mol #95ROB/HEM
- -analytic -1.22923E+1 0E+0 5.93687E+3 0E+0 0E+0
-
-Brucite
-Mg(OH)2 = 1.000Mg+2 - 2.000H+ + 2.000H2O
- log_k 17.100 #03ALT/MET
- delta_h -114.160 #kJ/mol
- # Enthalpy of formation: -924.5 #kJ/mol #95ROB/HEM
- -analytic -2.89994E+0 0E+0 5.96298E+3 0E+0 0E+0
-
-Brushite
-Ca(HPO4):2H2O = 1.000Ca+2 - 1.000H+ + 1.000H2(PO4)- + 2.000H2O
- log_k 0.600 #84NAN
- delta_h -7.375 #kJ/mol
- # Enthalpy of formation: -2409.885 #kJ/mol
- -analytic -6.92043E-1 0E+0 3.85223E+2 0E+0 0E+0
-
-Bunsenite
-NiO = 1.000Ni+2 - 2.000H+ + 1.000H2O
- log_k 12.480
- delta_h -101.142 #kJ/mol
- # Enthalpy of formation: -239.7 #kJ/mol #05GAM/BUG
- -analytic -5.23929E+0 0E+0 5.28301E+3 0E+0 0E+0
-
-Burkeite
-Na6(CO3)(SO4)2 = 6.000Na+ + 1.000CO3-2 + 2.000SO4-2
- log_k -0.770 #84HAR/MOL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -7.7E-1 0E+0 0E+0 0E+0 0E+0
-
-C(cr)
-C = 2.000H+ + 1.000CO3-2 - 1.000H2O - 1.000O2
- log_k 53.830
- delta_h -377.266 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #89COX/WAG
- -analytic -1.22641E+1 0E+0 1.97059E+4 0E+0 0E+0
-
-C2SH(alpha)
-Ca2(HSiO4)(OH) = 2.000Ca+2 - 4.000H+ + 1.000H4(SiO4) + 1.000H2O
- log_k 35.540
- delta_h -198.104 #kJ/mol
- # Enthalpy of formation: -2634.92 #kJ/mol #10BLA/BOU1
- -analytic 8.3372E-1 0E+0 1.03477E+4 0E+0 0E+0
-
-C3AH6
-Ca3Al2(OH)12 = 3.000Ca+2 + 2.000Al+3 - 12.000H+ + 12.000H2O
- log_k 80.320 #10BLA/BOU2
- delta_h -584.260 #kJ/mol
- # Enthalpy of formation: -5551.5 #kJ/mol #99SCH/NAV
- -analytic -2.20378E+1 0E+0 3.0518E+4 0E+0 0E+0
-
-C3FH6
-Ca3Fe2(OH)12 = 3.000Ca+2 + 2.000Fe+3 - 12.000H+ + 12.000H2O
- log_k 72.390
- delta_h -509.370 #kJ/mol
- # Enthalpy of formation: -4647.59 #kJ/mol #10BLA/BOU2
- -analytic -1.68477E+1 0E+0 2.66062E+4 0E+0 0E+0
-
-C4AH13
-Ca4Al2(OH)14:6H2O = 4.000Ca+2 + 2.000Al+3 - 14.000H+ + 20.000H2O
- log_k 103.650 #10BLA/BOU2
- delta_h -647.400 #kJ/mol
- # Enthalpy of formation: -8318 #kJ/mol #76HOU/STE
- -analytic -9.76944E+0 0E+0 3.3816E+4 0E+0 0E+0
-
-C4FH13
-Ca4Fe2(OH)14:6H2O = 4.000Ca+2 + 2.000Fe+3 - 14.000H+ + 20.000H2O
- log_k 95.160
- delta_h -569.200 #kJ/mol
- # Enthalpy of formation: -7417.4 #kJ/mol #10BLA/BOU2
- -analytic -4.55941E+0 0E+0 2.97313E+4 0E+0 0E+0
-
-CSH0.8
-Ca0.8SiO2.8:1.54H2O = 0.800Ca+2 - 1.600H+ + 1.000H4(SiO4) + 0.340H2O
- log_k 11.050 #10BLA/BOU1
- delta_h -47.646 #kJ/mol
- # Enthalpy of formation: -1945.13 #kJ/mol #10BLA/BOU1
- -analytic 2.70279E+0 0E+0 2.48872E+3 0E+0 0E+0
-
-CSH1.2
-Ca1.2SiO3.2:2.06H2O = 1.200Ca+2 - 2.400H+ + 1.000H4(SiO4) + 1.260H2O
- log_k 19.300 #10BLA/BOU1
- delta_h -88.600 #kJ/mol
- # Enthalpy of formation: -2384.34 #kJ/mol #10BLA/BOU1
- -analytic 3.77797E+0 0E+0 4.62789E+3 0E+0 0E+0
-
-CSH1.6
-Ca1.6SiO3.6:2.58H2O = 1.600Ca+2 - 3.200H+ + 1.000H4(SiO4) + 2.180H2O
- log_k 28.000 #10BLA/BOU1
- delta_h -133.313 #kJ/mol
- # Enthalpy of formation: -2819.79 #kJ/mol #10BLA/BOU1
- -analytic 4.6446E+0 0E+0 6.96341E+3 0E+0 0E+0
-
-Ca(Adipate)(s)
-Ca(Adipate) = 1.000Ca+2 + 1.000Adipate-2
- log_k -3.300 #12GRI/GAR2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.3E+0 0E+0 0E+0 0E+0 0E+0
-
-Ca(HGlu)2(s)
-Ca(HGlu)2 = 1.000Ca+2 + 2.000HGlu-
- log_k -4.190 #99VAN/GLA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.19E+0 0E+0 0E+0 0E+0 0E+0
-
-Ca(HIsa)2(cr)
-Ca(HIsa)2 = 1.000Ca+2 + 2.000HIsa-
- log_k -6.400 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -6.4E+0 0E+0 0E+0 0E+0 0E+0
-
-Ca(HPO4)(s)
-Ca(HPO4) = 1.000Ca+2 - 1.000H+ + 1.000H2(PO4)-
- log_k 0.300 #84NAN
- delta_h -24.098 #kJ/mol
- # Enthalpy of formation: -1821.502 #kJ/mol
- -analytic -3.92178E+0 0E+0 1.25872E+3 0E+0 0E+0
-
-Ca(NO3)2(s)
-Ca(NO3)2 = 1.000Ca+2 + 2.000NO3-
- log_k 5.890 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.89E+0 0E+0 0E+0 0E+0 0E+0
-
-Ca(Ox):2H2O(s)
-Ca(Ox):2H2O = 1.000Ca+2 + 1.000Ox-2 + 2.000H2O
- log_k -8.300 #05HUM/AND
- delta_h 25.200 #kJ/mol
- # Enthalpy of formation: -1970.52 #kJ/mol
- -analytic -3.88516E+0 0E+0 -1.31629E+3 0E+0 0E+0
-
-Ca(Ox):3H2O(s)
-Ca(Ox):3H2O = 1.000Ca+2 + 1.000Ox-2 + 3.000H2O
- log_k -8.190 #05HUM/AND
- delta_h 29.700 #kJ/mol
- # Enthalpy of formation: -2260.85 #kJ/mol
- -analytic -2.98679E+0 0E+0 -1.55134E+3 0E+0 0E+0
-
-Ca(Ox):H2O(s)
-Ca(Ox):H2O = 1.000Ca+2 + 1.000Ox-2 + 1.000H2O
- log_k -8.730 #05HUM/AND
- delta_h 21.500 #kJ/mol
- # Enthalpy of formation: -1680.99 #kJ/mol
- -analytic -4.96337E+0 0E+0 -1.12302E+3 0E+0 0E+0
-
-Ca(SO3)(s)
-Ca(SO3) = 1.000Ca+2 + 1.000SO3-2
- log_k -6.500 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -6.5E+0 0E+0 0E+0 0E+0 0E+0
-
-Ca(SeO3):H2O(s)
-Ca(SeO3):H2O = 1.000Ca+2 + 1.000SeO3-2 + 1.000H2O
- log_k -6.400 #05OLI/NOL
- delta_h -11.190 #kJ/mol
- # Enthalpy of formation: -1324.8 #kJ/mol #05OLI/NOL
- -analytic -8.3604E+0 0E+0 5.84494E+2 0E+0 0E+0
-
-Ca(SeO4):2H2O(s)
-Ca(SeO4):2H2O = 1.000Ca+2 + 1.000SeO4-2 + 2.000H2O
- log_k -2.680 #05OLI/NOL
- delta_h -9.160 #kJ/mol
- # Enthalpy of formation: -1709 #kJ/mol #05OLI/NOL
- -analytic -4.28476E+0 0E+0 4.78459E+2 0E+0 0E+0
-
-Ca(s)
-Ca = 1.000Ca+2 + 1.000H2O - 2.000H+ - 0.500O2
- log_k 139.840
- delta_h -822.763 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #89COX/WAG
- -analytic -4.30168E+0 0E+0 4.29758E+4 0E+0 0E+0
-
-Ca2(Pyrophos)(s)
-Ca2(Pyrophos) = 2.000Ca+2 + 1.000Pyrophos-4
- log_k -15.500 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.55E+1 0E+0 0E+0 0E+0 0E+0
-
-Ca2Cl2(OH)2:H2O(s)
-Ca2Cl2(OH)2:H2O = 2.000Ca+2 - 2.000H+ + 2.000Cl- + 3.000H2O
- log_k 26.530 #84HAR/MOL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.653E+1 0E+0 0E+0 0E+0 0E+0
-
-Ca2Fe2O5(s)
-Ca2Fe2O5 = 2.000Ca+2 + 2.000Fe+3 - 10.000H+ + 5.000H2O
- log_k 56.760
- delta_h -473.870 #kJ/mol
- # Enthalpy of formation: -2138.3 #kJ/mol
- -analytic -2.62583E+1 0E+0 2.47519E+4 0E+0 0E+0
-
-Ca2ZrSi3O12(cr)
-Ca2ZrSi3O12 = 2.000Ca+2 - 8.000H+ + 3.000H4(SiO4) + 1.000Zr+4 - 2.000H2O + 1.000O2
- log_k -154.250
- delta_h 764.444 #kJ/mol
- # Enthalpy of formation: -6283 #kJ/mol #05BRO/CUR
- -analytic -2.03254E+1 0E+0 -3.99296E+4 0E+0 0E+0
-
-Ca3(AsO4)2:xH2O
-Ca3(AsO4)2 = 3.000Ca+2 + 2.000AsO4-3
- log_k -21.000 #11GRI/COL4
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.1E+1 0E+0 0E+0 0E+0 0E+0
-
-Ca3(Cit)2:4H2O(s)
-Ca3(Cit)2:4H2O = 3.000Ca+2 + 2.000Cit-3 + 4.000H2O
- log_k -17.900 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.79E+1 0E+0 0E+0 0E+0 0E+0
-
-Ca3(PO4)2(alfa)
-Ca3(PO4)2 = 3.000Ca+2 - 4.000H+ + 2.000H2(PO4)-
- log_k 10.220 #84NAN
- delta_h -125.300 #kJ/mol
- # Enthalpy of formation: -4108.9 #kJ/mol
- -analytic -1.17316E+1 0E+0 6.54487E+3 0E+0 0E+0
-
-Ca3B2O6(s)
-Ca3B2O6 = 3.000Ca+2 - 4.000H+ + 2.000B(OH)4- - 2.000H2O
- log_k 40.580
- delta_h -318.306 #kJ/mol
- # Enthalpy of formation: -3429.266 #kJ/mol
- -analytic -1.51847E+1 0E+0 1.66263E+4 0E+0 0E+0
-
-Ca3ZrSi2O9(cr)
-Ca3ZrSi2O9 = 3.000Ca+2 - 10.000H+ + 2.000H4(SiO4) + 1.000Zr+4 + 1.000H2O
- log_k 47.870
- delta_h -416.718 #kJ/mol
- # Enthalpy of formation: -5029 #kJ/mol #05BRO/CUR
- -analytic -2.51358E+1 0E+0 2.17667E+4 0E+0 0E+0
-
-Ca4Al2O6(CrO4):15H2O(s)
-Ca4Al2O6(CrO4):15H2O = 4.000Ca+2 + 2.000Al+3 - 12.000H+ + 1.000CrO4-2 + 21.000H2O
- log_k 71.360 #01PER/PAL
- delta_h -545.980 #kJ/mol #01PER/PAL
- # Enthalpy of formation: -9584.25 #kJ/mol
- -analytic -2.42914E+1 0E+0 2.85185E+4 0E+0 0E+0
-
-Ca4Cl2(OH)6:13H2O(s)
-Ca4Cl2(OH)6:13H2O = 4.000Ca+2 - 6.000H+ + 2.000Cl- + 19.000H2O
- log_k 68.730 #84HAR/MOL
- delta_h -271.930 #kJ/mol
- # Enthalpy of formation: -7665 #kJ/mol #82WAG/EVA
- -analytic 2.109E+1 0E+0 1.42039E+4 0E+0 0E+0
-
-Ca4H(PO4)3:2.5H2O(s)
-Ca4H(PO4)3:2.5H2O = 4.000Ca+2 - 5.000H+ + 3.000H2(PO4)- + 2.500H2O
- log_k 11.810 #84NAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.181E+1 0E+0 0E+0 0E+0 0E+0
-
-Ca6(Al(OH)6)2(CrO4)3:26H2O(s)
-Ca6(Al(OH)6)2(CrO4)3:26H2O = 6.000Ca+2 + 2.000Al+3 - 12.000H+ + 3.000CrO4-2 + 38.000H2O
- log_k 60.280 #00PER/PAL
- delta_h -509.590 #kJ/mol #00PER/PAL
- # Enthalpy of formation: -17323.75 #kJ/mol
- -analytic -2.89962E+1 0E+0 2.66177E+4 0E+0 0E+0
-
-CaB2O4(s)
-CaB2O4 = 1.000Ca+2 + 2.000B(OH)4- - 4.000H2O
- log_k -2.180
- delta_h -58.908 #kJ/mol
- # Enthalpy of formation: -2031.004 #kJ/mol
- -analytic -1.25002E+1 0E+0 3.07697E+3 0E+0 0E+0
-
-CaB4O7(s)
-CaB4O7 = 1.000Ca+2 + 2.000H+ + 4.000B(OH)4- - 9.000H2O
- log_k -23.440
- delta_h 9.373 #kJ/mol
- # Enthalpy of formation: -3360.367 #kJ/mol
- -analytic -2.17979E+1 0E+0 -4.89585E+2 0E+0 0E+0
-
-CaCO3:H2O(s)
-CaCO3:H2O = 1.000Ca+2 + 1.000CO3-2 + 1.000H2O
- log_k -7.600 #73HUL/TUR
- delta_h -5.770 #kJ/mol
- # Enthalpy of formation: -1498.29 #kJ/mol #73HUL/TUR
- -analytic -8.61086E+0 0E+0 3.01388E+2 0E+0 0E+0
-
-CaCl2:2H2O(cr)
-CaCl2:2H2O = 1.000Ca+2 + 2.000Cl- + 2.000H2O
- log_k 7.950
- delta_h -44.790 #kJ/mol
- # Enthalpy of formation: -1404.03 #kJ/mol #87GAR/PAR
- -analytic 1.0314E-1 0E+0 2.33954E+3 0E+0 0E+0
-
-CaCl2:4H2O(cr)
-CaCl2:4H2O = 1.000Ca+2 + 2.000Cl- + 4.000H2O
- log_k 5.350
- delta_h -11.310 #kJ/mol
- # Enthalpy of formation: -2009.17 #kJ/mol #87GAR/PAR
- -analytic 3.36858E+0 0E+0 5.90762E+2 0E+0 0E+0
-
-CaCl2:H2O(s)
-CaCl2:H2O = 1.000Ca+2 + 2.000Cl- + 1.000H2O
- log_k 7.850
- delta_h -52.160 #kJ/mol
- # Enthalpy of formation: -1110.83 #kJ/mol #87GAR/PAR
- -analytic -1.28803E+0 0E+0 2.7245E+3 0E+0 0E+0
-
-CaCrO4(s)
-CaCrO4 = 1.000Ca+2 + 1.000CrO4-2
- log_k -3.150 #03DEA
- delta_h -22.814 #kJ/mol
- # Enthalpy of formation: -1399.186 #kJ/mol
- -analytic -7.14684E+0 0E+0 1.19166E+3 0E+0 0E+0
-
-CaF2:6H2O(s)
-CaF2:6H2O = 1.000Ca+2 + 2.000F- + 6.000H2O
- log_k -5.480 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -5.48E+0 0E+0 0E+0 0E+0 0E+0
-
-CaFe2O4(s)
-CaFe2O4 = 1.000Ca+2 + 2.000Fe+3 - 8.000H+ + 4.000H2O
- log_k 21.240 #79ROB
- delta_h -263.980 #kJ/mol
- # Enthalpy of formation: -1520.34 #kJ/mol
- -analytic -2.50072E+1 0E+0 1.37886E+4 0E+0 0E+0
-
-CaI2(s)
-CaI2 = 1.000Ca+2 + 2.000I-
- log_k 22.500 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.25E+1 0E+0 0E+0 0E+0 0E+0
-
-CaMg3(CO3)4(s)
-CaMg3(CO3)4 = 1.000Ca+2 + 3.000Mg+2 + 4.000CO3-2
- log_k -30.810 #
- delta_h -112.340 #kJ/mol
- # Enthalpy of formation: -4532.58 #kJ/mol #73HEM/ROB
- -analytic -5.04911E+1 0E+0 5.86792E+3 0E+0 0E+0
-
-CaMoO4(s)
-CaMoO4 = 1.000Ca+2 + 1.000MoO4-2
- log_k -7.900
- delta_h 1.424 #kJ/mol
- # Enthalpy of formation: -1541.424 #kJ/mol
- -analytic -7.65053E+0 0E+0 -7.43806E+1 0E+0 0E+0
-
-CaO(cr)
-CaO = 1.000Ca+2 - 2.000H+ + 1.000H2O
- log_k 32.700
- delta_h -193.910 #kJ/mol
- # Enthalpy of formation: -634.92 #kJ/mol #89COX/WAG
- -analytic -1.27152E+0 0E+0 1.01286E+4 0E+0 0E+0
-
-CaSn(OH)6(s)
-CaSn(OH)6 = 1.000Ca+2 + 1.000Sn+4 - 6.000H+ + 6.000H2O
- log_k -0.740 #Log K¿ estimated as the mean value of data in 00LOT/OCH2 (uncertainty to include both values) recalculated using values of Sn(OH)6-2 selected in this work
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -7.4E-1 0E+0 0E+0 0E+0 0E+0
-
-CaU2O7:3H2O(cr)
-CaU2O7:3H2O = 1.000Ca+2 + 2.000UO2+2 - 6.000H+ + 6.000H2O
- log_k 23.400 #05ALT/NEC
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.34E+1 0E+0 0E+0 0E+0 0E+0
-
-Cadmoselite
-CdSe = 1.000Cd+2 - 1.000H+ + 1.000HSe-
- log_k -18.680
- delta_h 81.480 #kJ/mol
- # Enthalpy of formation: -143.1 #kJ/mol #05OLI/NOL
- -analytic -4.40534E+0 0E+0 -4.25599E+3 0E+0 0E+0
-
-Calcite
-CaCO3 = 1.000Ca+2 + 1.000CO3-2
- log_k -8.480 #82PLUM/BUS
- delta_h -10.620 #kJ/mol #82PLUM/BUS
- # Enthalpy of formation: -1207.61 #kJ/mol
- -analytic -1.03405E+1 0E+0 5.5472E+2 0E+0 0E+0
-
-Carnallite
-KMgCl3:6H2O = 1.000Mg+2 + 1.000K+ + 3.000Cl- + 6.000H2O
- log_k 4.330 #84HAR/MOL
- delta_h 9.339 #kJ/mol
- # Enthalpy of formation: -2944.699 #kJ/mol #74NAU/RYZ
- -analytic 5.96612E+0 0E+0 -4.87809E+2 0E+0 0E+0
-
-Cassiterite
-SnO2 = 1.000Sn+4 - 4.000H+ + 2.000H2O
- log_k -15.600
- delta_h -25.529 #kJ/mol
- # Enthalpy of formation: -577.63 #kJ/mol #12GAM/GAJ
- -analytic -2.00725E+1 0E+0 1.33347E+3 0E+0 0E+0
-
-Cattierite
-CoS2 = 1.000Co+2 + 2.000HS- - 1.000H2O + 0.500O2
- log_k -62.970
- delta_h 340.463 #kJ/mol
- # Enthalpy of formation: -150.9 #kJ/mol #95ROB/HEM
- -analytic -3.32353E+0 0E+0 -1.77836E+4 0E+0 0E+0
-
-Cd(CO3)(s)
-Cd(CO3) = 1.000Cd+2 + 1.000CO3-2
- log_k -12.100 #91RAI/FEL1
- delta_h 1.482 #kJ/mol
- # Enthalpy of formation: -752.632 #kJ/mol
- -analytic -1.18404E+1 0E+0 -7.74101E+1 0E+0 0E+0
-
-Cd(OH)2(s)
-Cd(OH)2 = 1.000Cd+2 - 2.000H+ + 2.000H2O
- log_k 13.860 #91RAI/FEL1
- delta_h -87.730 #kJ/mol
- # Enthalpy of formation: -559.85 #kJ/mol
- -analytic -1.50961E+0 0E+0 4.58245E+3 0E+0 0E+0
-
-Cd(SO4)(cr)
-Cd(SO4) = 1.000Cd+2 + 1.000SO4-2
- log_k -0.160
- delta_h -51.980 #kJ/mol
- # Enthalpy of formation: -933.28 #kJ/mol #82WAG/EVA
- -analytic -9.26649E+0 0E+0 2.7151E+3 0E+0 0E+0
-
-Cd(SO4):2.67H2O(cr)
-Cd(SO4):2.67H2O = 1.000Cd+2 + 1.000SO4-2 + 2.670H2O
- log_k -1.550
- delta_h -20.126 #kJ/mol
- # Enthalpy of formation: -1728.3 #kJ/mol #89COX/WAG
- -analytic -5.07592E+0 0E+0 1.05125E+3 0E+0 0E+0
-
-Cd(SeCn)2(cr)
-Cd(SeCn)2 = 1.000Cd+2 + 2.000H+ + 2.000Cn- + 2.000HSe- - 2.000H2O + 1.000O2
- log_k -117.730
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.1773E+2 0E+0 0E+0 0E+0 0E+0
-
-Cd(cr)
-Cd = 1.000Cd+2 + 1.000H2O - 2.000H+ - 0.500O2
- log_k 56.610
- delta_h -355.683 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #89COX/WAG
- -analytic -5.7029E+0 0E+0 1.85786E+4 0E+0 0E+0
-
-Cd3(AsO4)2(s)
-Cd3(AsO4)2 = 3.000Cd+2 + 2.000AsO4-3
- log_k -32.620
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.262E+1 0E+0 0E+0 0E+0 0E+0
-
-Cd3(PO4)2(s)
-Cd3(PO4)2 = 3.000Cd+2 - 4.000H+ + 2.000H2(PO4)-
- log_k 8.970
- delta_h -206.960 #kJ/mol
- # Enthalpy of formation: -2626 #kJ/mol #01BEN/JEM
- -analytic -2.72878E+1 0E+0 1.08103E+4 0E+0 0E+0
-
-Cd5(PO4)3Cl(cr)
-Cd5(PO4)3Cl = 5.000Cd+2 - 6.000H+ + 1.000Cl- + 3.000H2(PO4)-
- log_k 12.670
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.267E+1 0E+0 0E+0 0E+0 0E+0
-
-Cd5(PO4)3OH(cr)
-Cd5(PO4)3OH = 5.000Cd+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O
- log_k 19.840
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.984E+1 0E+0 0E+0 0E+0 0E+0
-
-CdB2O4(s)
-CdB2O4 = 1.000Cd+2 + 2.000B(OH)4- - 4.000H2O
- log_k -8.640 #91BAL/NOR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -8.64E+0 0E+0 0E+0 0E+0 0E+0
-
-CdCl2(s)
-CdCl2 = 1.000Cd+2 + 2.000Cl-
- log_k -0.660
- delta_h -18.580 #kJ/mol
- # Enthalpy of formation: -391.5 #kJ/mol #74NAU/RYZ
- -analytic -3.91507E+0 0E+0 9.705E+2 0E+0 0E+0
-
-CdCl2:2.5H2O(s)
-CdCl2:2.5H2O = 1.000Cd+2 + 2.000Cl- + 2.500H2O
- log_k -1.900
- delta_h 7.285 #kJ/mol
- # Enthalpy of formation: -1131.94 #kJ/mol #82WAG/EVA
- -analytic -6.23725E-1 0E+0 -3.80521E+2 0E+0 0E+0
-
-CdCl2:H2O(cr)
-CdCl2:H2O = 1.000Cd+2 + 2.000Cl- + 1.000H2O
- log_k -1.690
- delta_h -7.470 #kJ/mol
- # Enthalpy of formation: -688.44 #kJ/mol #82WAG/EVA
- -analytic -2.99869E+0 0E+0 3.90185E+2 0E+0 0E+0
-
-CdO(s)
-CdO = 1.000Cd+2 - 2.000H+ + 1.000H2O
- log_k 15.100
- delta_h -103.400 #kJ/mol
- # Enthalpy of formation: -258.35 #kJ/mol #89COX/WAG
- -analytic -3.01488E+0 0E+0 5.40095E+3 0E+0 0E+0
-
-CdS(s)
-CdS = 1.000Cd+2 - 1.000H+ + 1.000HS-
- log_k -14.820 #99WAN/TES
- delta_h 56.570 #kJ/mol
- # Enthalpy of formation: -148.79 #kJ/mol #06DEO/NAV
- -analytic -4.90938E+0 0E+0 -2.95485E+3 0E+0 0E+0
-
-CdSiO3(cr)
-CdSiO3 = 1.000Cd+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O
- log_k 7.790
- delta_h -62.194 #kJ/mol
- # Enthalpy of formation: -1189.09 #kJ/mol #77BAR/KNA
- -analytic -3.10591E+0 0E+0 3.24861E+3 0E+0 0E+0
-
-Celadonite-Fe
-KFeAlSi4O10(OH)2 = 1.000K+ + 1.000Fe+2 + 1.000Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
- log_k 10.220
- delta_h -103.866 #kJ/mol
- # Enthalpy of formation: -5478.13 #kJ/mol #02
- -analytic -7.97652E+0 0E+0 5.42529E+3 0E+0 0E+0
-
-Celadonite-Mg
-KMgAlSi4O10(OH)2 = 1.000Mg+2 + 1.000K+ + 1.000Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
- log_k 10.220
- delta_h -124.256 #kJ/mol
- # Enthalpy of formation: -5834.74 #kJ/mol #02PAR/VID
- -analytic -1.15487E+1 0E+0 6.49033E+3 0E+0 0E+0
-
-Celestite
-Sr(SO4) = 1.000Sr+2 + 1.000SO4-2
- log_k -6.620 #06BLA/IGN
- delta_h -2.451 #kJ/mol
- # Enthalpy of formation: -1457.788 #kJ/mol
- -analytic -7.0494E+0 0E+0 1.28024E+2 0E+0 0E+0
-
-Cerussite
-Pb(CO3) = 1.000Pb+2 + 1.000CO3-2
- log_k -13.290
- delta_h 27.414 #kJ/mol
- # Enthalpy of formation: -701.723 #kJ/mol
- -analytic -8.48728E+0 0E+0 -1.43193E+3 0E+0 0E+0
-
-Chabazite
-CaAl2Si4O12:6H2O = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 4.000H4(SiO4) + 2.000H2O
- log_k 11.540
- delta_h -209.796 #kJ/mol
- # Enthalpy of formation: -7826.44 #kJ/mol #09BLA
- -analytic -2.52146E+1 0E+0 1.09584E+4 0E+0 0E+0
-
-Chamosite
-Fe5Al2Si3O10(OH)8 = 5.000Fe+2 + 2.000Al+3 - 16.000H+ + 3.000H4(SiO4) + 6.000H2O
- log_k 47.600
- delta_h -504.512 #kJ/mol
- # Enthalpy of formation: -7120.85 #kJ/mol #05VID/PAR
- -analytic -4.07866E+1 0E+0 2.63525E+4 0E+0 0E+0
-
-Chloroapatite
-Ca5Cl(PO4)3 = 5.000Ca+2 - 6.000H+ + 1.000Cl- + 3.000H2(PO4)-
- log_k 5.210 #68VAL/KOG
- delta_h -132.541 #kJ/mol
- # Enthalpy of formation: -6657.339 #kJ/mol
- -analytic -1.80102E+1 0E+0 6.92309E+3 0E+0 0E+0
-
-Chromite
-FeCr2O4 = 1.000Fe+2 - 8.000H+ + 2.000Cr+3 + 4.000H2O
- log_k 15.120
- delta_h -268.820 #kJ/mol
- # Enthalpy of formation: -1445.5 #kJ/mol #95ROB/HEM
- -analytic -3.19752E+1 0E+0 1.40414E+4 0E+0 0E+0
-
-Clarkeite
-Na(UO2)O(OH) = 1.000Na+ + 1.000UO2+2 - 3.000H+ + 2.000H2O
- log_k 9.400 #08GOR/FEI
- delta_h -106.300 #kJ/mol
- # Enthalpy of formation: -1724.7 #kJ/mol #06KUB/HEL
- -analytic -9.22293E+0 0E+0 5.55243E+3 0E+0 0E+0
-
-Claudetite
-As2O3 = - 3.000H2O + 2.000H3(AsO3)
- log_k -1.460
- delta_h 28.240 #kJ/mol
- # Enthalpy of formation: -655.15 #kJ/mol
- -analytic 3.48743E+0 0E+0 -1.47508E+3 0E+0 0E+0
-
-Clausthalite
-PbSe = 1.000Pb+2 - 1.000H+ + 1.000HSe-
- log_k -20.530
- delta_h 113.720 #kJ/mol
- # Enthalpy of formation: -98.5 #kJ/mol #05OLI/NOL
- -analytic -6.0714E-1 0E+0 -5.94E+3 0E+0 0E+0
-
-Clinochlore
-Mg5Al2Si3O10(OH)8 = 5.000Mg+2 + 2.000Al+3 - 16.000H+ + 3.000H4(SiO4) + 6.000H2O
- log_k 61.720
- delta_h -600.772 #kJ/mol
- # Enthalpy of formation: -8909.59 #kJ/mol #05VID/PAR
- -analytic -4.35306E+1 0E+0 3.13805E+4 0E+0 0E+0
-
-Clinoptilolite_Ca
-Ca0.55(Si4.9Al1.1)O12:3.9H2O = 0.550Ca+2 + 1.100Al+3 - 4.400H+ + 4.900H4(SiO4) - 3.700H2O
- log_k -2.350 #09BLA
- delta_h -68.512 #kJ/mol
- # Enthalpy of formation: -6924.658 #kJ/mol
- -analytic -1.43528E+1 0E+0 3.57863E+3 0E+0 0E+0
-
-Clinoptilolite_K
-K1.1(Si4.9Al1.1)O12:2.7H2O = 1.100K+ + 1.100Al+3 - 4.400H+ + 4.900H4(SiO4) - 4.900H2O
- log_k -1.230 #09BLA
- delta_h -60.128 #kJ/mol
- # Enthalpy of formation: -6568.749 #kJ/mol
- -analytic -1.1764E+1 0E+0 3.1407E+3 0E+0 0E+0
-
-Clinoptilolite_Na
-Na1.1(Si4.9Al1.1)O12:3.5H2O = 1.100Na+ + 1.100Al+3 - 4.400H+ + 4.900H4(SiO4) - 4.100H2O
- log_k -0.090 #09BLA
- delta_h -62.470 #kJ/mol
- # Enthalpy of formation: -6782.091 #kJ/mol
- -analytic -1.10343E+1 0E+0 3.26303E+3 0E+0 0E+0
-
-Cm(CO3)(OH)(cr)
-Cm(CO3)(OH) = - 1.000H+ + 1.000CO3-2 + 1.000Cm+3 + 1.000H2O
- log_k -10.340 #estimated by correlation with Ln(III) and An(III)
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.034E+1 0E+0 0E+0 0E+0 0E+0
-
-Cm(CO3)(OH):0.5H2O(s)
-Cm(CO3)(OH):0.5H2O = - 1.000H+ + 1.000CO3-2 + 1.000Cm+3 + 1.500H2O
- log_k -7.780 #estimated by correlation with Ln(III) and An(III)
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -7.78E+0 0E+0 0E+0 0E+0 0E+0
-
-Cm(OH)3(am)
-Cm(OH)3 = - 3.000H+ + 1.000Cm+3 + 3.000H2O
- log_k 17.900 #estimated from ionic radii
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.79E+1 0E+0 0E+0 0E+0 0E+0
-
-Cm(OH)3(cr)
-Cm(OH)3 = - 3.000H+ + 1.000Cm+3 + 3.000H2O
- log_k 15.600 #estimated from ionic radii
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.56E+1 0E+0 0E+0 0E+0 0E+0
-
-Cm(PO4):xH2O(s)
-Cm(PO4) = - 2.000H+ + 1.000H2(PO4)- + 1.000Cm+3
- log_k -4.970 #estimated by correlation with Ln(III)
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.97E+0 0E+0 0E+0 0E+0 0E+0
-
-Cm(cr)
-Cm = 1.000Cm+3 + 1.500H2O - 3.000H+ - 0.750O2
- log_k 168.795 #01KON2
- delta_h -1034.645 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol
- -analytic -1.24667E+1 0E+0 5.40432E+4 0E+0 0E+0
-
-Cm2(CO3)3(am)
-Cm2(CO3)3 = 3.000CO3-2 + 2.000Cm+3
- log_k -33.900 #estimated in analogy wiht Ln(III) and Am(III)
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.39E+1 0E+0 0E+0 0E+0 0E+0
-
-Cm2O3(cr)
-Cm2O3 = - 6.000H+ + 2.000Cm+3 + 3.000H2O
- log_k 53.100
- delta_h -403.490 #kJ/mol
- # Enthalpy of formation: -1684 #kJ/mol #01KON2
- -analytic -1.75883E+1 0E+0 2.10757E+4 0E+0 0E+0
-
-CmCl3(cr)
-CmCl3 = 3.000Cl- + 1.000Cm+3
- log_k 15.070
- delta_h -141.840 #kJ/mol
- # Enthalpy of formation: -974.4 #kJ/mol #85BAR/PAR
- -analytic -9.77926E+0 0E+0 7.40881E+3 0E+0 0E+0
-
-CmF3(cr)
-CmF3 = 3.000F- + 1.000Cm+3
- log_k -13.160
- delta_h -32.036 #kJ/mol
- # Enthalpy of formation: -1589.014 #kJ/mol #estimated by 97SVE/SHO equation
- -analytic -1.87725E+1 0E+0 1.67335E+3 0E+0 0E+0
-
-CmOCl(cr)
-CmOCl = - 2.000H+ + 1.000Cl- + 1.000Cm+3 + 1.000H2O
- log_k 9.490
- delta_h -104.710 #kJ/mol
- # Enthalpy of formation: -963.2 #kJ/mol #85BAR/PAR
- -analytic -8.85438E+0 0E+0 5.46938E+3 0E+0 0E+0
-
-CmOHCO3(am)
-CmOHCO3 = - 1.000H+ + 1.000CO3-2 + 1.000Cm+3 + 1.000H2O
- log_k -6.120 #estimated in anlogy with Ln(III) and Am(III)
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -6.12E+0 0E+0 0E+0 0E+0 0E+0
-
-Co(FeO2)2(alpha)
-Co(FeO2)2 = 2.000Fe+3 + 1.000Co+2 - 8.000H+ + 4.000H2O
- log_k 0.770
- delta_h -159.200 #kJ/mol
- # Enthalpy of formation: -1139.72 #kJ/mol #74NAU/RYZ
- -analytic -2.71206E+1 0E+0 8.31558E+3 0E+0 0E+0
-
-Co(OH)2(s,blue)
-Co(OH)2 = 1.000Co+2 - 2.000H+ + 2.000H2O
- log_k 13.800 #98PLY/ZHA1
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.38E+1 0E+0 0E+0 0E+0 0E+0
-
-Co(OH)2(s,rose1)
-Co(OH)2 = 1.000Co+2 - 2.000H+ + 2.000H2O
- log_k 12.200 #98PLY/ZHA1
- delta_h -88.460 #kJ/mol
- # Enthalpy of formation: -540.8 #kJ/mol #98PLY/ZHA1
- -analytic -3.2975E+0 0E+0 4.62058E+3 0E+0 0E+0
-
-Co(OH)2(s,rose2)
-Co(OH)2 = 1.000Co+2 - 2.000H+ + 2.000H2O
- log_k 13.200 #98PLY/ZHA1
- delta_h -93.560 #kJ/mol
- # Enthalpy of formation: -535.7 #kJ/mol #98PLY/ZHA1
- -analytic -3.19098E+0 0E+0 4.88697E+3 0E+0 0E+0
-
-Co(SeO3):2H2O(s)
-Co(SeO3):2H2O = 1.000Co+2 + 1.000SeO3-2 + 2.000H2O
- log_k -7.900 #05OLI/NOL
- delta_h -20.860 #kJ/mol
- # Enthalpy of formation: -1115.56 #kJ/mol #05OLI/NOL
- -analytic -1.15545E+1 0E+0 1.08959E+3 0E+0 0E+0
-
-Co(SeO4):6H2O(s)
-Co(SeO4):6H2O = 1.000Co+2 + 1.000SeO4-2 + 6.000H2O
- log_k -1.760 #05OLI/NOL
- delta_h -3.299 #kJ/mol
- # Enthalpy of formation: -2372.781 #kJ/mol
- -analytic -2.33796E+0 0E+0 1.72319E+2 0E+0 0E+0
-
-Co(cr)
-Co = 1.000Co+2 + 1.000H2O - 2.000H+ - 0.500O2
- log_k 52.730
- delta_h -337.363 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol
- -analytic -6.37337E+0 0E+0 1.76217E+4 0E+0 0E+0
-
-Co0.84Se(cr)
-Co0.84Se = 0.840Co+2 - 0.680H+ + 1.000HSe- - 0.160H2O + 0.080O2
- log_k -16.178
- delta_h 66.078 #kJ/mol
- # Enthalpy of formation: -55.4 #kJ/mol #05OLI/NOL
- -analytic -4.60203E+0 0E+0 -3.45149E+3 0E+0 0E+0
-
-Co2SiO4(s)
-Co2SiO4 = 2.000Co+2 - 4.000H+ + 1.000H4(SiO4)
- log_k 7.350
- delta_h -99.394 #kJ/mol
- # Enthalpy of formation: -1477 #kJ/mol #82WAG/EVA
- -analytic -1.00631E+1 0E+0 5.1917E+3 0E+0 0E+0
-
-Co3(AsO4)2(s)
-Co3(AsO4)2 = 3.000Co+2 + 2.000AsO4-3
- log_k -27.560
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.756E+1 0E+0 0E+0 0E+0 0E+0
-
-Co3(PO4)2(s)
-Co3(PO4)2 = 3.000Co+2 - 4.000H+ + 2.000H2(PO4)-
- log_k 4.360 #84VIE/TAR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.36E+0 0E+0 0E+0 0E+0 0E+0
-
-Co3O4(s)
-Co3O4 = 3.000Co+2 - 6.000H+ + 3.000H2O + 0.500O2
- log_k 11.870
- delta_h -117.537 #kJ/mol
- # Enthalpy of formation: -918.8 #kJ/mol #95ROB/HEM
- -analytic -8.72157E+0 0E+0 6.13938E+3 0E+0 0E+0
-
-CoCl2(s)
-CoCl2 = 1.000Co+2 + 2.000Cl-
- log_k 8.470
- delta_h -79.220 #kJ/mol
- # Enthalpy of formation: -312.54 #kJ/mol #98CHA
- -analytic -5.40873E+0 0E+0 4.13794E+3 0E+0 0E+0
-
-CoCl2:6H2O(s)
-CoCl2:6H2O = 1.000Co+2 + 2.000Cl- + 6.000H2O
- log_k 2.540 #97MAR/SMI
- delta_h 8.060 #kJ/mol #97MAR/SMI
- # Enthalpy of formation: -2114.8 #kJ/mol
- -analytic 3.95205E+0 0E+0 -4.21003E+2 0E+0 0E+0
-
-CoF2(s)
-CoF2 = 1.000Co+2 + 2.000F-
- log_k -1.390
- delta_h -56.770 #kJ/mol
- # Enthalpy of formation: -671.53 #kJ/mol #98CHA
- -analytic -1.13357E+1 0E+0 2.9653E+3 0E+0 0E+0
-
-CoHPO4(s)
-CoHPO4 = 1.000Co+2 - 1.000H+ + 1.000H2(PO4)-
- log_k 0.490 #84VIE/TAR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.9E-1 0E+0 0E+0 0E+0 0E+0
-
-CoO(s)
-CoO = 1.000Co+2 - 2.000H+ + 1.000H2O
- log_k 13.770
- delta_h -105.530 #kJ/mol
- # Enthalpy of formation: -237.9 #kJ/mol #95ROB/HEM
- -analytic -4.71804E+0 0E+0 5.51221E+3 0E+0 0E+0
-
-CoS(alpha)
-CoS = 1.000Co+2 - 1.000H+ + 1.000HS-
- log_k -7.440 #90DYR/KRE
- delta_h 11.836 #kJ/mol
- # Enthalpy of formation: -85.736 #kJ/mol
- -analytic -5.36642E+0 0E+0 -6.18236E+2 0E+0 0E+0
-
-CoS(beta)
-CoS = 1.000Co+2 - 1.000H+ + 1.000HS-
- log_k -11.070 #90DYR/KRE
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.107E+1 0E+0 0E+0 0E+0 0E+0
-
-CoSO4(s)
-CoSO4 = 1.000Co+2 + 1.000SO4-2
- log_k 3.010
- delta_h -78.680 #kJ/mol
- # Enthalpy of formation: -888.26 #kJ/mol #98CHA
- -analytic -1.07741E+1 0E+0 4.10974E+3 0E+0 0E+0
-
-CoSO4:6H2O(s)
-CoSO4:6H2O = 1.000Co+2 + 1.000SO4-2 + 6.000H2O
- log_k -2.200
- delta_h 1.570 #kJ/mol
- # Enthalpy of formation: -2683.49 #kJ/mol #74NAU/RYZ
- -analytic -1.92495E+0 0E+0 -8.20067E+1 0E+0 0E+0
-
-CoSO4:H2O(s)
-CoSO4:H2O = 1.000Co+2 + 1.000SO4-2 + 1.000H2O
- log_k -1.050
- delta_h -52.050 #kJ/mol
- # Enthalpy of formation: -1200.72 #kJ/mol #74NAU/RYZ
- -analytic -1.01688E+1 0E+0 2.71876E+3 0E+0 0E+0
-
-CoSe2(cr)
-CoSe2 = 1.000Co+2 + 2.000HSe- - 1.000H2O + 0.500O2
- log_k -66.080
- delta_h 356.263 #kJ/mol
- # Enthalpy of formation: -105.5 #kJ/mol #05OLI/NOL
- -analytic -3.66549E+0 0E+0 -1.86089E+4 0E+0 0E+0
-
-Coffinite
-U(SiO4) = 1.000U+4 - 4.000H+ + 1.000H4(SiO4)
- log_k -7.800
- delta_h -61.070 #kJ/mol
- # Enthalpy of formation: -1991.326 #kJ/mol
- -analytic -1.8499E+1 0E+0 3.1899E+3 0E+0 0E+0
-
-Coffinite(am)
-U(SiO4) = 1.000U+4 - 4.000H+ + 1.000H4(SiO4)
- log_k -1.500 #Estimation based on NEA Guidelines
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.5E+0 0E+0 0E+0 0E+0 0E+0
-
-Compreignacite
-K2(UO2)6O4(OH)6:7H2O = 2.000K+ + 6.000UO2+2 - 14.000H+ + 17.000H2O
- log_k 35.800 #08GOR/FEI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.58E+1 0E+0 0E+0 0E+0 0E+0
-
-Corundum
-Al2O3 = 2.000Al+3 - 6.000H+ + 3.000H2O
- log_k 18.300
- delta_h -258.590 #kJ/mol
- # Enthalpy of formation: -1675.7 #kJ/mol #89COX/WAG
- -analytic -2.7003E+1 0E+0 1.35071E+4 0E+0 0E+0
-
-Cotunnite
-PbCl2 = 1.000Pb+2 + 2.000Cl-
- log_k -4.810
- delta_h 26.160 #kJ/mol
- # Enthalpy of formation: -359.4 #kJ/mol #98CHA
- -analytic -2.26971E-1 0E+0 -1.36643E+3 0E+0 0E+0
-
-Cr(OH)2(H2PO4)(s)
-Cr(OH)2(H2PO4) = 1.000H2(PO4)- + 1.000Cr+3 + 2.000H2O - 2.000H+
- log_k 0.890 #04RAI/MOO
- delta_h -5.080 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.3509E-5 0E+0 2.65346E+2 0E+0 0E+0
-
-Cr(OH)2(cr)
-Cr(OH)2 = - 2.000H+ + 1.000Cr+2 + 2.000H2O
- log_k 11.000 #41HUM/STO, 04CHI
- delta_h -75.459 #kJ/mol
- # Enthalpy of formation: -653.82 #kJ/mol
- -analytic -2.21983E+0 0E+0 3.94149E+3 0E+0 0E+0
-
-Cr(OH)3(cr)
-Cr(OH)3 = - 3.000H+ + 1.000Cr+3 + 3.000H2O
- log_k 7.500 #04RAI/MOO
- delta_h -104.751 #kJ/mol
- # Enthalpy of formation: -993.238 #kJ/mol
- -analytic -1.08516E+1 0E+0 5.47152E+3 0E+0 0E+0
-
-Cr(s)
-Cr = 2.000H+ + 1.000CrO4-2 - 1.000H2O - 1.500O2
- log_k 89.660
- delta_h -574.989 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol
- -analytic -1.10736E+1 0E+0 3.00337E+4 0E+0 0E+0
-
-Cr2(SO4)3(s)
-Cr2(SO4)3 = 3.000SO4-2 + 2.000Cr+3
- log_k 4.380
- delta_h -277.720 #kJ/mol
- # Enthalpy of formation: -2931.3 #kJ/mol #91KNA/KUB
- -analytic -4.42744E+1 0E+0 1.45063E+4 0E+0 0E+0
-
-Cr2O3(cr)
-Cr2O3 = - 6.000H+ + 2.000Cr+3 + 3.000H2O
- log_k 7.750
- delta_h -198.000 #kJ/mol
- # Enthalpy of formation: -1140.5 #kJ/mol #04CHI
- -analytic -2.69381E+1 0E+0 1.03422E+4 0E+0 0E+0
-
-Cr2S3(s)
-Cr2S3 = - 3.000H+ + 3.000HS- + 2.000Cr+3
- log_k 3.260
- delta_h -195.200 #kJ/mol
- # Enthalpy of formation: -334.7 #kJ/mol #84PAN
- -analytic -3.09375E+1 0E+0 1.0196E+4 0E+0 0E+0
-
-CrCl2(cr)
-CrCl2 = 2.000Cl- + 1.000Cr+2
- log_k 12.730
- delta_h -103.500 #kJ/mol
- # Enthalpy of formation: -388.3 #kJ/mol #98BAL/NOR
- -analytic -5.4024E+0 0E+0 5.40617E+3 0E+0 0E+0
-
-CrCl3(cr)
-CrCl3 = 3.000Cl- + 1.000Cr+3
- log_k 20.190
- delta_h -197.300 #kJ/mol
- # Enthalpy of formation: -544.4 #kJ/mol #98BAL/NOR
- -analytic -1.43754E+1 0E+0 1.03057E+4 0E+0 0E+0
-
-CrO2(cr)
-CrO2 = 2.000H+ + 1.000CrO4-2 - 1.000H2O - 0.500O2
- log_k -8.690
- delta_h 10.797 #kJ/mol
- # Enthalpy of formation: -597.9 #kJ/mol #93BAR, 04CHI
- -analytic -6.79845E+0 0E+0 -5.63966E+2 0E+0 0E+0
-
-CrO3(cr)
-CrO3 = 2.000H+ + 1.000CrO4-2 - 1.000H2O
- log_k -3.020
- delta_h -10.070 #kJ/mol
- # Enthalpy of formation: -583.1 #kJ/mol #98BAL/NOR, 04CHI
- -analytic -4.78419E+0 0E+0 5.25992E+2 0E+0 0E+0
-
-CrPO4(green)
-CrPO4 = - 2.000H+ + 1.000H2(PO4)- + 1.000Cr+3
- log_k -3.060 #51ZHA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.06E+0 0E+0 0E+0 0E+0 0E+0
-
-CrPO4(purple)
-CrPO4 = - 2.000H+ + 1.000H2(PO4)- + 1.000Cr+3
- log_k 2.560 #51ZHA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.56E+0 0E+0 0E+0 0E+0 0E+0
-
-CrS(s)
-CrS = - 1.000H+ + 1.000HS- + 1.000Cr+2
- log_k 1.660
- delta_h -38.800 #kJ/mol
- # Enthalpy of formation: -135.143 #kJ/mol #84PAN
- -analytic -5.13746E+0 0E+0 2.02666E+3 0E+0 0E+0
-
-Cristobalite
-SiO2 = 1.000H4(SiO4) - 2.000H2O
- log_k -3.160
- delta_h 16.500 #kJ/mol
- # Enthalpy of formation: -906.034 #kJ/mol #04FAB/SAX
- -analytic -2.69328E-1 0E+0 -8.61854E+2 0E+0 0E+0
-
-Crocoite
-PbCrO4 = 1.000Pb+2 + 1.000CrO4-2
- log_k -12.550 #42KOL/PER
- delta_h 48.940 #kJ/mol
- # Enthalpy of formation: -927.02 #kJ/mol #75DEL/MCC
- -analytic -3.97609E+0 0E+0 -2.55631E+3 0E+0 0E+0
-
-Cronstedtite-Th
-Fe4SiO5(OH)4 = 2.000Fe+3 + 2.000Fe+2 - 10.000H+ + 1.000H4(SiO4) + 5.000H2O
- log_k 16.110
- delta_h -253.794 #kJ/mol
- # Enthalpy of formation: -2914.55 #kJ/mol #15BLA/VIE
- -analytic -2.83527E+1 0E+0 1.32566E+4 0E+0 0E+0
-
-Cs(s)
-Cs = 1.000Cs+ + 0.500H2O - 1.000H+ - 0.250O2
- log_k 72.555
- delta_h -397.882 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG
- -analytic 2.84926E+0 0E+0 2.07828E+4 0E+0 0E+0
-
-Cs2(CO3)(s)
-Cs2(CO3) = 2.000Cs+ + 1.000CO3-2
- log_k 9.900
- delta_h -55.348 #kJ/mol
- # Enthalpy of formation: -1135.882 #kJ/mol
- -analytic 2.03461E-1 0E+0 2.89102E+3 0E+0 0E+0
-
-Cs2(SO4)(s)
-Cs2(SO4) = 2.000Cs+ + 1.000SO4-2
- log_k 0.580
- delta_h 17.756 #kJ/mol
- # Enthalpy of formation: -1443.096 #kJ/mol
- -analytic 3.69071E+0 0E+0 -9.27459E+2 0E+0 0E+0
-
-Cs2MoO4(s)
-Cs2MoO4 = 2.000Cs+ + 1.000MoO4-2
- log_k 2.210
- delta_h 1.581 #kJ/mol
- # Enthalpy of formation: -1514.581 #kJ/mol
- -analytic 2.48698E+0 0E+0 -8.25813E+1 0E+0 0E+0
-
-Cs2O(s)
-Cs2O = 2.000Cs+ - 2.000H+ + 1.000H2O
- log_k 89.680
- delta_h -456.100 #kJ/mol
- # Enthalpy of formation: -345.73 #kJ/mol
- -analytic 9.77483E+0 0E+0 2.38237E+4 0E+0 0E+0
-
-CsBr(cr)
-CsBr = 1.000Cs+ + 1.000Br-
- log_k 0.720
- delta_h 26.190 #kJ/mol
- # Enthalpy of formation: -405.6 #kJ/mol #01LEM/FUG
- -analytic 5.30828E+0 0E+0 -1.368E+3 0E+0 0E+0
-
-CsCl(cr)
-CsCl = 1.000Cs+ + 1.000Cl-
- log_k 1.550
- delta_h 17.230 #kJ/mol
- # Enthalpy of formation: -442.31 #kJ/mol #01LEM/FUG
- -analytic 4.56856E+0 0E+0 -8.99984E+2 0E+0 0E+0
-
-Cu(SeO3):2H2O(s)
-Cu(SeO3):2H2O = 1.000Cu+2 + 1.000SeO3-2 + 2.000H2O
- log_k -9.500 #Average value from 56CHU2 and 93SLA/POP in 05OLI/NOL
- delta_h -15.320 #kJ/mol
- # Enthalpy of formation: -998.6 #kJ/mol #05OLI/NOL
- -analytic -1.21839E+1 0E+0 8.00218E+2 0E+0 0E+0
-
-Cu(SeO4):5H2O(s)
-Cu(SeO4):5H2O = 1.000Cu+2 + 1.000SeO4-2 + 5.000H2O
- log_k -2.440 #05OLI/NOL
- delta_h 5.580 #kJ/mol
- # Enthalpy of formation: -1973.33 #kJ/mol #05OLI/NOL
- -analytic -1.46243E+0 0E+0 -2.91463E+2 0E+0 0E+0
-
-Cu(cr)
-Cu = 1.000Cu+2 + 1.000H2O - 2.000H+ - 0.500O2
- log_k 31.600
- delta_h -214.863 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #01LEM/FUG
- -analytic -6.04233E+0 0E+0 1.12231E+4 0E+0 0E+0
-
-Cu2Se(alfa)
-Cu2Se = 2.000Cu+ - 1.000H+ + 1.000HSe-
- log_k -45.890 #01SEB/POT2
- delta_h 216.940 #kJ/mol
- # Enthalpy of formation: -59.3 #kJ/mol #05OLI/NOL
- -analytic -7.8838E+0 0E+0 -1.13315E+4 0E+0 0E+0
-
-Cu3(AsO4)2(s)
-Cu3(AsO4)2 = 3.000Cu+2 + 2.000AsO4-3
- log_k -34.880
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.488E+1 0E+0 0E+0 0E+0 0E+0
-
-CuSe(alfa)
-CuSe = 1.000Cu+2 - 1.000H+ + 1.000HSe-
- log_k -25.460
- delta_h 118.700 #kJ/mol
- # Enthalpy of formation: -39.5 #kJ/mol #05OLI/NOL
- -analytic -4.66468E+0 0E+0 -6.20012E+3 0E+0 0E+0
-
-CuSe(beta)
-CuSe = 1.000Cu+2 - 1.000H+ + 1.000HSe-
- log_k -25.130
- delta_h 116.000 #kJ/mol
- # Enthalpy of formation: -36.8 #kJ/mol #05OLI/NOL
- -analytic -4.8077E+0 0E+0 -6.05909E+3 0E+0 0E+0
-
-Dawsonite
-NaAl(CO3)(OH)2 = 1.000Na+ + 1.000Al+3 - 2.000H+ + 1.000CO3-2 + 2.000H2O
- log_k -6.000
- delta_h -61.630 #kJ/mol
- # Enthalpy of formation: -1964 #kJ/mol #76FER/STU
- -analytic -1.67971E+1 0E+0 3.21915E+3 0E+0 0E+0
-
-Diaspore
-AlO(OH) = 1.000Al+3 - 3.000H+ + 2.000H2O
- log_k 6.860
- delta_h -108.760 #kJ/mol
- # Enthalpy of formation: -1001.3 #kJ/mol #95ROB/HEM
- -analytic -1.21939E+1 0E+0 5.68092E+3 0E+0 0E+0
-
-Dickite
-Al2Si2O5(OH)4 = 2.000Al+3 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O
- log_k 9.390
- delta_h -185.218 #kJ/mol
- # Enthalpy of formation: -4099.8 #kJ/mol #03FIA/MAJ
- -analytic -2.30588E+1 0E+0 9.6746E+3 0E+0 0E+0
-
-Dolomite
-CaMg(CO3)2 = 1.000Ca+2 + 1.000Mg+2 + 2.000CO3-2
- log_k -17.120
- delta_h -35.960 #kJ/mol
- # Enthalpy of formation: -2324.5 #kJ/mol #95ROB/HEM
- -analytic -2.34199E+1 0E+0 1.87832E+3 0E+0 0E+0
-
-Downeyite
-SeO2 = 2.000H+ + 1.000SeO3-2 - 1.000H2O
- log_k -8.150
- delta_h 4.060 #kJ/mol
- # Enthalpy of formation: -225.39 #kJ/mol #05OLI/NOL
- -analytic -7.43872E+0 0E+0 -2.12068E+2 0E+0 0E+0
-
-Eastonite
-KMg2Al3Si2O10(OH)2 = 2.000Mg+2 + 1.000K+ + 3.000Al+3 - 14.000H+ + 2.000H4(SiO4) + 4.000H2O
- log_k 46.320
- delta_h -518.108 #kJ/mol
- # Enthalpy of formation: -6348.94 #kJ/mol #98HOL/POW
- -analytic -4.44485E+1 0E+0 2.70626E+4 0E+0 0E+0
-
-Epsonite
-Mg(SO4):7H2O = 1.000Mg+2 + 1.000SO4-2 + 7.000H2O
- log_k -1.880 #84HAR/MOL
- delta_h 10.990 #kJ/mol
- # Enthalpy of formation: -3388.14 #kJ/mol
- -analytic 4.53625E-2 0E+0 -5.74047E+2 0E+0 0E+0
-
-Ettringite
-Ca6Al2(SO4)3(OH)12:26H2O = 6.000Ca+2 + 2.000Al+3 - 12.000H+ + 3.000SO4-2 + 38.000H2O
- log_k 56.970 #10BLA/BOU2
- delta_h -379.830 #kJ/mol
- # Enthalpy of formation: -17544.53 #kJ/mol #10BLA/BOU2
- -analytic -9.57326E+0 0E+0 1.98399E+4 0E+0 0E+0
-
-Ettringite-Fe
-Ca6Fe2(SO4)3(OH)12:26H2O = 6.000Ca+2 + 2.000Fe+3 - 12.000H+ + 3.000SO4-2 + 38.000H2O
- log_k 54.550 #10BLA/BOU2
- delta_h -343.754 #kJ/mol
- # Enthalpy of formation: -16601.806 #kJ/mol
- -analytic -5.67303E+0 0E+0 1.79555E+4 0E+0 0E+0
-
-Eu(CO3)(OH)(cr)
-Eu(CO3)(OH) = 1.000Eu+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O
- log_k -9.630
- delta_h -43.391 #kJ/mol
- # Enthalpy of formation: -1523 #kJ/mol #05ROR/FUG
- -analytic -1.72318E+1 0E+0 2.26647E+3 0E+0 0E+0
-
-Eu(CO3)(OH):0.5H2O(s)
-Eu(CO3)(OH):0.5H2O = 1.000Eu+3 - 1.000H+ + 1.000CO3-2 + 1.500H2O
- log_k -7.800 #95SPA/BRU
- delta_h -55.906 #kJ/mol
- # Enthalpy of formation: -1653.4 #kJ/mol #05ROR/FUG
- -analytic -1.75943E+1 0E+0 2.92017E+3 0E+0 0E+0
-
-Eu(NO3)3:6H2O(s)
-Eu(NO3)3:6H2O = 1.000Eu+3 + 3.000NO3- + 6.000H2O
- log_k 1.840 #95SPA/BRU
- delta_h 16.839 #kJ/mol
- # Enthalpy of formation: -2957.7 #kJ/mol #82WAG/EVA
- -analytic 4.79006E+0 0E+0 -8.79561E+2 0E+0 0E+0
-
-Eu(OH)3(am)
-Eu(OH)3 = 1.000Eu+3 - 3.000H+ + 3.000H2O
- log_k 17.600 #98DIA/RAG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.76E+1 0E+0 0E+0 0E+0 0E+0
-
-Eu(OH)3(cr)
-Eu(OH)3 = 1.000Eu+3 - 3.000H+ + 3.000H2O
- log_k 15.460 #98DIA/RAG
- delta_h -127.542 #kJ/mol
- # Enthalpy of formation: -1335.279 #kJ/mol
- -analytic -6.88437E+0 0E+0 6.66197E+3 0E+0 0E+0
-
-Eu(PO4):xH2O(s)
-Eu(PO4) = 1.000Eu+3 - 2.000H+ + 1.000H2(PO4)-
- log_k -4.840 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.84E+0 0E+0 0E+0 0E+0 0E+0
-
-Eu(cr)
-Eu = 1.000Eu+3 + 1.500H2O - 3.000H+ - 0.750O2
- log_k 165.125
- delta_h -1024.976 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA
- -analytic -1.44427E+1 0E+0 5.35381E+4 0E+0 0E+0
-
-Eu2(CO3)3:3H2O(s)
-Eu2(CO3)3:3H2O = 2.000Eu+3 + 3.000CO3-2 + 3.000H2O
- log_k -35.000 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.5E+1 0E+0 0E+0 0E+0 0E+0
-
-Eu2(SO4)3:8H2O(s)
-Eu2(SO4)3:8H2O = 2.000Eu+3 + 3.000SO4-2 + 8.000H2O
- log_k -10.200 #95SPA/BRU
- delta_h -90.974 #kJ/mol
- # Enthalpy of formation: -6134.348 #kJ/mol
- -analytic -2.61379E+1 0E+0 4.7519E+3 0E+0 0E+0
-
-Eu2O3(cubic)
-Eu2O3 = 2.000Eu+3 - 6.000H+ + 3.000H2O
- log_k 52.400 #95SPA/BRU
- delta_h -405.453 #kJ/mol
- # Enthalpy of formation: -1662.7 #kJ/mol #82WAG/EVA
- -analytic -1.86322E+1 0E+0 2.11783E+4 0E+0 0E+0
-
-Eu2O3(monoclinic)
-Eu2O3 = 2.000Eu+3 - 6.000H+ + 3.000H2O
- log_k 53.470
- delta_h -418.514 #kJ/mol
- # Enthalpy of formation: -1649.638 #kJ/mol
- -analytic -1.98504E+1 0E+0 2.18605E+4 0E+0 0E+0
-
-Eu3O4(s)
-Eu3O4 = 3.000Eu+3 - 9.000H+ + 4.500H2O - 0.250O2
- log_k 114.515
- delta_h -829.196 #kJ/mol
- # Enthalpy of formation: -2270 #kJ/mol
- -analytic -3.07536E+1 0E+0 4.33118E+4 0E+0 0E+0
-
-EuBr3(s)
-EuBr3 = 1.000Eu+3 + 3.000Br-
- log_k 30.190 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.019E+1 0E+0 0E+0 0E+0 0E+0
-
-EuCl(OH)2(s)
-EuCl(OH)2 = 1.000Eu+3 - 2.000H+ + 1.000Cl- + 2.000H2O
- log_k 9.130 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.13E+0 0E+0 0E+0 0E+0 0E+0
-
-EuCl2(s)
-EuCl2 = 1.000Eu+3 + 2.000Cl- + 0.500H2O - 1.000H+ - 0.250O2
- log_k 32.715 #95SPA/BRU
- delta_h -255.373 #kJ/mol
- # Enthalpy of formation: -824 #kJ/mol #82WAG/EVA
- -analytic -1.20243E+1 0E+0 1.3339E+4 0E+0 0E+0
-
-EuCl3(s)
-EuCl3 = 1.000Eu+3 + 3.000Cl-
- log_k 19.720 #96FAL/REA
- delta_h -170.571 #kJ/mol
- # Enthalpy of formation: -936 #kJ/mol #82WAG/EVA
- -analytic -1.01627E+1 0E+0 8.90953E+3 0E+0 0E+0
-
-EuCl3:6H2O(s)
-EuCl3:6H2O = 1.000Eu+3 + 3.000Cl- + 6.000H2O
- log_k 5.200 #95SPA/BRU
- delta_h -41.414 #kJ/mol
- # Enthalpy of formation: -2780.137 #kJ/mol
- -analytic -2.05541E+0 0E+0 2.1632E+3 0E+0 0E+0
-
-EuF3(s)
-EuF3 = 1.000Eu+3 + 3.000F-
- log_k -18.500 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.85E+1 0E+0 0E+0 0E+0 0E+0
-
-EuF3:0.5H2O(s)
-EuF3:0.5H2O = 1.000Eu+3 + 3.000F- + 0.500H2O
- log_k -17.200 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.72E+1 0E+0 0E+0 0E+0 0E+0
-
-EuO(s)
-EuO = 1.000Eu+3 - 3.000H+ + 1.500H2O - 0.250O2
- log_k 66.265
- delta_h -439.894 #kJ/mol
- # Enthalpy of formation: -591.149 #kJ/mol
- -analytic -1.08009E+1 0E+0 2.29772E+4 0E+0 0E+0
-
-EuOCl(s)
-EuOCl = 1.000Eu+3 - 2.000H+ + 1.000Cl- + 1.000H2O
- log_k 15.810 #95SPA/BRU
- delta_h -154.741 #kJ/mol
- # Enthalpy of formation: -903.5 #kJ/mol
- -analytic -1.12994E+1 0E+0 8.08267E+3 0E+0 0E+0
-
-EuPO4:H2O(cr)
-EuPO4:H2O = 1.000Eu+3 - 2.000H+ + 1.000H2(PO4)- + 1.000H2O
- log_k -6.440 #97LIU/BYR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -6.44E+0 0E+0 0E+0 0E+0 0E+0
-
-EuSO4(s)
-EuSO4 = 1.000Eu+3 + 1.000SO4-2 + 0.500H2O - 1.000H+ - 0.250O2
- log_k 18.975 #95SPA/BRU
- delta_h -232.746 #kJ/mol
- # Enthalpy of formation: -1421.807 #kJ/mol
- -analytic -2.18002E+1 0E+0 1.21571E+4 0E+0 0E+0
-
-Fayalite
-Fe2(SiO4) = 2.000Fe+2 - 4.000H+ + 1.000H4(SiO4)
- log_k 19.510
- delta_h -163.054 #kJ/mol
- # Enthalpy of formation: -1478.14 #kJ/mol #95ROB/HEM
- -analytic -9.05579E+0 0E+0 8.51689E+3 0E+0 0E+0
-
-Fe(OH)2(cr)
-Fe(OH)2 = 1.000Fe+2 - 2.000H+ + 2.000H2O
- log_k 12.760
- delta_h -99.056 #kJ/mol
- # Enthalpy of formation: -574.011 #kJ/mol
- -analytic -4.59384E+0 0E+0 5.17405E+3 0E+0 0E+0
-
-Fe(PO4)(cr)
-Fe(PO4) = 1.000Fe+3 - 2.000H+ + 1.000H2(PO4)-
- log_k -6.240 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
- delta_h -18.600 #kJ/mol
- # Enthalpy of formation: -1333 #kJ/mol
- -analytic -9.49858E+0 0E+0 9.71544E+2 0E+0 0E+0
-
-Fe(s)
-Fe = 1.000Fe+2 + 1.000H2O - 2.000H+ - 0.500O2
- log_k 58.850 #95PAR/KHO in 98CHI
- delta_h -369.763 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol
- -analytic -5.9296E+0 0E+0 1.9314E+4 0E+0 0E+0
-
-Fe1.04Se(beta)
-Fe1.04Se = 1.040Fe+2 - 1.080H+ + 1.000HSe- + 0.040H2O - 0.020O2
- log_k -1.680
- delta_h -20.891 #kJ/mol
- # Enthalpy of formation: -69.6 #kJ/mol #05OLI/NOL
- -analytic -5.34026E+0 0E+0 1.09119E+3 0E+0 0E+0
-
-Fe2(SeO3)3:6H2O(s)
-Fe2(SeO3)3:6H2O = 2.000Fe+3 + 3.000SeO3-2 + 6.000H2O
- log_k -41.580 #05OLI/NOL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.158E+1 0E+0 0E+0 0E+0 0E+0
-
-Fe3Se4(gamma)
-Fe3Se4 = 3.000Fe+2 - 2.000H+ + 4.000HSe- - 1.000H2O + 0.500O2
- log_k -68.590
- delta_h 301.963 #kJ/mol
- # Enthalpy of formation: -235 #kJ/mol #05OLI/NOL
- -analytic -1.56884E+1 0E+0 -1.57726E+4 0E+0 0E+0
-
-Fe5(OH)(PO4)3(s)
-Fe5(OH)(PO4)3 = 5.000Fe+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O
- log_k -402.320 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.0232E+2 0E+0 0E+0 0E+0 0E+0
-
-Fe7Se8(alfa)
-Fe7Se8 = 7.000Fe+2 - 6.000H+ + 8.000HSe- - 1.000H2O + 0.500O2
- log_k -78.590
- delta_h 227.663 #kJ/mol
- # Enthalpy of formation: -463.5 #kJ/mol #05OLI/NOL
- -analytic -3.87052E+1 0E+0 -1.18916E+4 0E+0 0E+0
-
-FeAl2O4(s)
-FeAl2O4 = 1.000Fe+2 + 2.000Al+3 - 8.000H+ + 4.000H2O
- log_k 27.200 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.72E+1 0E+0 0E+0 0E+0 0E+0
-
-FeMoO4(s)
-FeMoO4 = 1.000Fe+2 + 1.000MoO4-2
- log_k -8.350
- delta_h -11.534 #kJ/mol
- # Enthalpy of formation: -1075.466 #kJ/mol
- -analytic -1.03707E+1 0E+0 6.02462E+2 0E+0 0E+0
-
-FeO(s)
-FeO = 1.000Fe+2 - 2.000H+ + 1.000H2O
- log_k 13.370 #95ROB/HEM
- delta_h -103.830 #kJ/mol
- # Enthalpy of formation: -272 #kJ/mol
- -analytic -4.82021E+0 0E+0 5.42341E+3 0E+0 0E+0
-
-FeS(am)
-FeS = 1.000Fe+2 - 1.000H+ + 1.000HS-
- log_k -2.950 #91DAV
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.95E+0 0E+0 0E+0 0E+0 0E+0
-
-Ferrihydrite(am)
-Fe(OH)3 = 1.000Fe+3 - 3.000H+ + 3.000H2O
- log_k 2.540 #63SCH/MIC
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.54E+0 0E+0 0E+0 0E+0 0E+0
-
-Ferroselite
-FeSe2 = 1.000Fe+2 + 2.000HSe- - 1.000H2O + 0.500O2
- log_k -60.120 #05OLI/NOL
- delta_h 327.063 #kJ/mol
- # Enthalpy of formation: -108.7 #kJ/mol #05OLI/NOL
- -analytic -2.82111E+0 0E+0 -1.70837E+4 0E+0 0E+0
-
-Ferrosilite
-FeSiO3 = 1.000Fe+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O
- log_k 32.710 #95TRO: CEA, N.T.SESD n¿ 95/49, L. TROTIGNON avril 1996; Critique et s¿lection de donn¿es thermodynamiques en vue de mod¿liser les ¿quilibres min¿ral - solution, rapport annuel 1995
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.271E+1 0E+0 0E+0 0E+0 0E+0
-
-Ferryhydrite
-Fe(OH)3 = 1.000Fe+3 - 3.000H+ + 3.000H2O
- log_k 1.190 #05GRI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.19E+0 0E+0 0E+0 0E+0 0E+0
-
-Fluorapatite
-Ca5F(PO4)3 = 5.000Ca+2 - 6.000H+ + 1.000F- + 3.000H2(PO4)-
- log_k -0.910 #74HAG
- delta_h -115.603 #kJ/mol
- # Enthalpy of formation: -6842.547 #kJ/mol
- -analytic -2.11627E+1 0E+0 6.03836E+3 0E+0 0E+0
-
-Fluorite
-CaF2 = 1.000Ca+2 + 2.000F-
- log_k -10.600
- delta_h 19.623 #kJ/mol
- # Enthalpy of formation: -1233.323 #kJ/mol
- -analytic -7.1622E+0 0E+0 -1.02498E+3 0E+0 0E+0
-
-Foshagite
-Ca4Si3O9(OH)2:0.5H2O = 4.000Ca+2 - 8.000H+ + 3.000H4(SiO4) - 0.500H2O
- log_k 65.960 #10BLA/BOU1
- delta_h -380.237 #kJ/mol
- # Enthalpy of formation: -6032.43 #kJ/mol #56NEW
- -analytic -6.54565E-1 0E+0 1.98611E+4 0E+0 0E+0
-
-Friedel-salt
-Ca4Al2(OH)12Cl2:4H2O = 4.000Ca+2 + 2.000Al+3 - 12.000H+ + 2.000Cl- + 16.000H2O
- log_k 74.930 #10BLA/BOU2
- delta_h -486.200 #kJ/mol
- # Enthalpy of formation: -7670.04 #kJ/mol #76HOU/STE
- -analytic -1.02485E+1 0E+0 2.5396E+4 0E+0 0E+0
-
-Galena
-PbS = 1.000Pb+2 - 1.000H+ + 1.000HS-
- log_k -14.840
- delta_h 82.940 #kJ/mol
- # Enthalpy of formation: -98.32 #kJ/mol #98CHA
- -analytic -3.09557E-1 0E+0 -4.33225E+3 0E+0 0E+0
-
-Gaylussite
-CaNa2(CO3)2:5H2O = 1.000Ca+2 + 2.000Na+ + 2.000CO3-2 + 5.000H2O
- log_k -9.430 #99KON/KON
- delta_h 31.099 #kJ/mol
- # Enthalpy of formation: -3834.389 #kJ/mol
- -analytic -3.9817E+0 0E+0 -1.62441E+3 0E+0 0E+0
-
-Gibbsite
-Al(OH)3 = 1.000Al+3 - 3.000H+ + 3.000H2O
- log_k 7.740 #95POK/HEL
- delta_h -102.759 #kJ/mol
- # Enthalpy of formation: -1293.131 #kJ/mol
- -analytic -1.02626E+1 0E+0 5.36747E+3 0E+0 0E+0
-
-Gismondine
-Ca2Al4Si4O16:9H2O = 2.000Ca+2 + 4.000Al+3 - 16.000H+ + 4.000H4(SiO4) + 9.000H2O
- log_k 39.010
- delta_h -477.046 #kJ/mol
- # Enthalpy of formation: -11179.8 #kJ/mol #89CHE/RIM
- -analytic -4.45647E+1 0E+0 2.49178E+4 0E+0 0E+0
-
-Glaserite
-Na2K6(SO4)4 = 6.000K+ + 2.000Na+ + 4.000SO4-2
- log_k -7.610 #80HAR/WEA
- delta_h 78.360 #kJ/mol
- # Enthalpy of formation: -5709.24 #kJ/mol
- -analytic 6.11806E+0 0E+0 -4.09302E+3 0E+0 0E+0
-
-Glauberite
-Na2Ca(SO4)2 = 1.000Ca+2 + 2.000Na+ + 2.000SO4-2
- log_k 1.970 #84HAR/MOL
- delta_h -13.160 #kJ/mol
- # Enthalpy of formation: -2829.2 #kJ/mol #82WAG/EVA
- -analytic -3.3553E-1 0E+0 6.87394E+2 0E+0 0E+0
-
-Glauconite
-(K0.75Mg0.25Fe1.5Al0.25)(Al0.25Si3.75)O10(OH)2 = 0.250Mg+2 + 0.750K+ + 1.250Fe+3 + 0.250Fe+2 + 0.500Al+3 - 7.000H+ + 3.750H4(SiO4) - 3.000H2O
- log_k 1.860
- delta_h -129.662 #kJ/mol
- # Enthalpy of formation: -5151.13 #kJ/mol #15BLA/VIE
- -analytic -2.08558E+1 0E+0 6.77271E+3 0E+0 0E+0
-
-Goethite
-FeOOH = 1.000Fe+3 - 3.000H+ + 2.000H2O
- log_k 0.390 #63SCH/MIC
- delta_h -61.522 #kJ/mol
- # Enthalpy of formation: -559.124 #kJ/mol
- -analytic -1.03882E+1 0E+0 3.21351E+3 0E+0 0E+0
-
-Greenalite
-Fe3Si2O5(OH)4 = 3.000Fe+2 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O
- log_k 21.770
- delta_h -177.218 #kJ/mol
- # Enthalpy of formation: -3301 #kJ/mol #83MIY/KLE
- -analytic -9.27722E+0 0E+0 9.25673E+3 0E+0 0E+0
-
-Gypsum
-CaSO4:2H2O = 1.000Ca+2 + 1.000SO4-2 + 2.000H2O
- log_k -4.610
- delta_h -1.050 #kJ/mol
- # Enthalpy of formation: -2022.95 #kJ/mol #87GAR/PAR
- -analytic -4.79395E+0 0E+0 5.48452E+1 0E+0 0E+0
-
-Gyrolite
-Ca2Si3O7.5(OH):2H2O = 2.000Ca+2 - 4.000H+ + 3.000H4(SiO4) - 1.500H2O
- log_k 22.340 #10BLA/BOU1
- delta_h -122.847 #kJ/mol
- # Enthalpy of formation: -4917.99 #kJ/mol #10BLA/BOU1
- -analytic 8.18161E-1 0E+0 6.41674E+3 0E+0 0E+0
-
-H2MoO4(s)
-H2MoO4 = 2.000H+ + 1.000MoO4-2
- log_k -13.170
- delta_h 48.763 #kJ/mol
- # Enthalpy of formation: -1045.763 #kJ/mol
- -analytic -4.6271E+0 0E+0 -2.54707E+3 0E+0 0E+0
-
-H3Cit:H2O(cr)
-H3Cit:H2O = 3.000H+ + 1.000Cit-3 + 1.000H2O
- log_k -12.940 #05HUM/AND
- delta_h 32.710 #kJ/mol
- # Enthalpy of formation: -1838.46 #kJ/mol
- -analytic -7.20946E+0 0E+0 -1.70856E+3 0E+0 0E+0
-
-H4Edta(cr)
-H4Edta = 4.000H+ + 1.000Edta-4
- log_k -27.220 #05HUM/AND
- delta_h 55.000 #kJ/mol
- # Enthalpy of formation: -1759.8 #kJ/mol
- -analytic -1.75844E+1 0E+0 -2.87285E+3 0E+0 0E+0
-
-HBeidellite-Ca
-Ca0.17Al2.34Si3.66O10(OH)2:4.45H2O = 0.170Ca+2 + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.810H2O
- log_k 2.110
- delta_h -160.492 #kJ/mol
- # Enthalpy of formation: -7056.996 #kJ/mol #13BLA/VI; 11VIE/BLA
- -analytic -2.6007E+1 0E+0 8.38307E+3 0E+0 0E+0
-
-HBeidellite-K
-K0.34Al2.34Si3.66O10(OH)2:1.96H2O = 0.340K+ + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 0.680H2O
- log_k 2.240
- delta_h -167.142 #kJ/mol
- # Enthalpy of formation: -6332.047 #kJ/mol #13BLA/VI; 11VIE/BLA
- -analytic -2.7042E+1 0E+0 8.73042E+3 0E+0 0E+0
-
-HBeidellite-Mg
-Mg0.17Al2.34Si3.66O10(OH)2:4.61H2O = 0.170Mg+2 + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.970H2O
- log_k 2.240
- delta_h -159.892 #kJ/mol
- # Enthalpy of formation: -7090.409 #kJ/mol #13BLA/VI; 11VIE/BLA
- -analytic -2.57718E+1 0E+0 8.35173E+3 0E+0 0E+0
-
-HBeidellite-Na
-Na0.34Al2.34Si3.66O10(OH)2:3.84H2O = 0.340Na+ + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.200H2O
- log_k 1.860
- delta_h -171.523 #kJ/mol
- # Enthalpy of formation: -6861.015 #kJ/mol #13BLA/VI; 11VIE/BLA
- -analytic -2.81895E+1 0E+0 8.95926E+3 0E+0 0E+0
-
-HMontmorillonite-BCCa
-Ca0.17Mg0.34Al1.66Si4O10(OH)2:4.45H2O = 0.170Ca+2 + 0.340Mg+2 + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) + 0.450H2O
- log_k 2.200
- delta_h -118.557 #kJ/mol
- # Enthalpy of formation: -6999.676 #kJ/mol #13BLA/VI; 11VIE/BLA
- -analytic -1.85703E+1 0E+0 6.19265E+3 0E+0 0E+0
-
-HMontmorillonite-BCK
-K0.34Mg0.34Al1.66Si4O10(OH)2:1.96H2O = 0.340Mg+2 + 0.340K+ + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 2.040H2O
- log_k 2.090
- delta_h -123.828 #kJ/mol
- # Enthalpy of formation: -6276.107 #kJ/mol #13BLA/VI; 11VIE/BLA
- -analytic -1.96037E+1 0E+0 6.46798E+3 0E+0 0E+0
-
-HMontmorillonite-BCMg
-Mg0.17Mg0.34Al1.66Si4O10(OH)2:4.61H2O = 0.510Mg+2 + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) + 0.610H2O
- log_k 2.350
- delta_h -118.107 #kJ/mol
- # Enthalpy of formation: -7032.939 #kJ/mol #13BLA/VI; 11VIE/BLA
- -analytic -1.83414E+1 0E+0 6.16915E+3 0E+0 0E+0
-
-HMontmorillonite-BCNa
-Na0.34Mg0.34Al1.66Si4O10(OH)2:3.84H2O = 0.340Mg+2 + 0.340Na+ + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 0.160H2O
- log_k 1.790
- delta_h -128.688 #kJ/mol
- # Enthalpy of formation: -6804.595 #kJ/mol #13BLA/VI; 11VIE/BLA
- -analytic -2.07551E+1 0E+0 6.72183E+3 0E+0 0E+0
-
-HMontmorillonite-HCCa
-Ca0.3Mg0.6Al1.4Si4O10(OH)2:4.45H2O = 0.300Ca+2 + 0.600Mg+2 + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) + 0.450H2O
- log_k 6.180
- delta_h -134.133 #kJ/mol
- # Enthalpy of formation: -7036.126 #kJ/mol #13BLA/VI; 11VIE/BLA
- -analytic -1.73191E+1 0E+0 7.00624E+3 0E+0 0E+0
-
-HMontmorillonite-HCK
-K0.6Mg0.6Al1.4Si4O10(OH)2:1.96H2O = 0.600Mg+2 + 0.600K+ + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 2.040H2O
- log_k 4.260
- delta_h -119.730 #kJ/mol
- # Enthalpy of formation: -6327.197 #kJ/mol #13BLA/VI; 11VIE/BLA
- -analytic -1.67158E+1 0E+0 6.25392E+3 0E+0 0E+0
-
-HMontmorillonite-HCMg
-Mg0.3Mg0.6Al1.4Si4O10(OH)2:4.61H2O = 0.900Mg+2 + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) + 0.610H2O
- log_k 6.500
- delta_h -133.713 #kJ/mol
- # Enthalpy of formation: -7059.479 #kJ/mol #13BLA/VI; 11VIE/BLA
- -analytic -1.69255E+1 0E+0 6.98431E+3 0E+0 0E+0
-
-HMontmorillonite-HCNa
-Na0.6Mg0.6Al1.4Si4O10(OH)2:3.84H2O = 0.600Mg+2 + 0.600Na+ + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 0.160H2O
- log_k 4.560
- delta_h -132.493 #kJ/mol
- # Enthalpy of formation: -6844.715 #kJ/mol #13BLA/VI; 11VIE/BLA
- -analytic -1.86517E+1 0E+0 6.92058E+3 0E+0 0E+0
-
-HNontronite-Ca
-Ca0.17Fe1.67Al0.67Si3.66O10(OH)2:4.45H2O = 0.170Ca+2 + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.810H2O
- log_k -2.830
- delta_h -109.854 #kJ/mol
- # Enthalpy of formation: -6290.336 #kJ/mol #13BLA/VI; 11VIE/BLA
- -analytic -2.20756E+1 0E+0 5.73807E+3 0E+0 0E+0
-
-HNontronite-K
-K0.34Fe1.67Al0.67Si3.66O10(OH)2:1.96H2O = 0.340K+ + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 0.680H2O
- log_k -2.700
- delta_h -116.514 #kJ/mol
- # Enthalpy of formation: -5565.377 #kJ/mol #13BLA/VI; 11VIE/BLA
- -analytic -2.31123E+1 0E+0 6.08594E+3 0E+0 0E+0
-
-HNontronite-Mg
-Mg0.17Fe1.67Al0.67Si3.66O10(OH)2:4.61H2O = 0.170Mg+2 + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.970H2O
- log_k -2.530
- delta_h -109.254 #kJ/mol
- # Enthalpy of formation: -6323.749 #kJ/mol #13BLA/VI; 11VIE/BLA
- -analytic -2.16705E+1 0E+0 5.70673E+3 0E+0 0E+0
-
-HNontronite-Na
-Na0.34Fe1.67Al0.67Si3.66O10(OH)2:3.84H2O = 0.340Na+ + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.200H2O
- log_k -3.090
- delta_h -120.885 #kJ/mol
- # Enthalpy of formation: -6094.355 #kJ/mol #13BLA/VI; 11VIE/BLA
- -analytic -2.42681E+1 0E+0 6.31425E+3 0E+0 0E+0
-
-HSaponite-Ca
-Ca0.17Mg3Al0.34Si3.66O10(OH)2:4.45H2O = 0.170Ca+2 + 3.000Mg+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.810H2O
- log_k 28.390
- delta_h -239.662 #kJ/mol
- # Enthalpy of formation: -7302.026 #kJ/mol #13BLA/VI; 11VIE/BLA
- -analytic -1.35969E+1 0E+0 1.25184E+4 0E+0 0E+0
-
-HSaponite-FeCa
-Ca0.17Mg2FeAl0.34Si3.66O10(OH)2:4.45H2O = 0.170Ca+2 + 2.000Mg+2 + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.810H2O
- log_k 27.980
- delta_h -235.552 #kJ/mol
- # Enthalpy of formation: -6929.136 #kJ/mol #13BLA/VI; 11VIE/BLA
- -analytic -1.32869E+1 0E+0 1.23037E+4 0E+0 0E+0
-
-HSaponite-FeK
-K0.34Mg2FeAl0.34Si3.66O10(OH)2:1.96H2O = 2.000Mg+2 + 0.340K+ + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 0.680H2O
- log_k 28.110
- delta_h -242.212 #kJ/mol
- # Enthalpy of formation: -6204.177 #kJ/mol #13BLA/VI; 11VIE/BLA
- -analytic -1.43237E+1 0E+0 1.26516E+4 0E+0 0E+0
-
-HSaponite-FeMg
-Mg0.17Mg2FeAl0.34Si3.66O10(OH)2:4.61H2O = 2.170Mg+2 + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.970H2O
- log_k 28.070
- delta_h -234.962 #kJ/mol
- # Enthalpy of formation: -6962.539 #kJ/mol #13BLA/VI; 11VIE/BLA
- -analytic -1.30935E+1 0E+0 1.22729E+4 0E+0 0E+0
-
-HSaponite-FeNa
-Na0.34Mg2FeAl0.34Si3.66O10(OH)2:3.84H2O = 2.000Mg+2 + 0.340Na+ + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.200H2O
- log_k 27.720
- delta_h -246.583 #kJ/mol
- # Enthalpy of formation: -6733.155 #kJ/mol #13BLA/VI; 11VIE/BLA
- -analytic -1.54794E+1 0E+0 1.28799E+4 0E+0 0E+0
-
-HSaponite-K
-K0.34Mg3Al0.34Si3.66O10(OH)2:1.96H2O = 3.000Mg+2 + 0.340K+ + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 0.680H2O
- log_k 28.520
- delta_h -246.322 #kJ/mol
- # Enthalpy of formation: -6577.067 #kJ/mol #13BLA/VI; 11VIE/BLA
- -analytic -1.46337E+1 0E+0 1.28663E+4 0E+0 0E+0
-
-HSaponite-Mg
-Mg0.17Mg3Al0.34Si3.66O10(OH)2:4.61H2O = 3.170Mg+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.970H2O
- log_k 28.510
- delta_h -239.062 #kJ/mol
- # Enthalpy of formation: -7335.439 #kJ/mol #13BLA/VI; 11VIE/BLA
- -analytic -1.33718E+1 0E+0 1.24871E+4 0E+0 0E+0
-
-HSaponite-Na
-Na0.34Mg3Al0.34Si3.66O10(OH)2:3.84H2O = 3.000Mg+2 + 0.340Na+ + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.200H2O
- log_k 28.130
- delta_h -250.693 #kJ/mol
- # Enthalpy of formation: -7106.45 #kJ/mol #13BLA/VI; 11VIE/BLA
- -analytic -1.57895E+1 0E+0 1.30946E+4 0E+0 0E+0
-
-HVermiculite-Ca
-Ca0.43Mg3.00Si3.14Al0.86O10(OH)2:4.45H2O = 0.430Ca+2 + 3.000Mg+2 + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) + 3.890H2O
- log_k 97.850
- delta_h -683.046 #kJ/mol
- # Enthalpy of formation: -7114.496 #kJ/mol #13BLA/VI; 11VIE/BLA
- -analytic -2.18143E+1 0E+0 3.56779E+4 0E+0 0E+0
-
-HVermiculite-K
-K0.86Mg3.00Si3.14Al0.86O10(OH)2:1.96H2O = 3.000Mg+2 + 0.860K+ + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) + 1.400H2O
- log_k 87.710
- delta_h -609.749 #kJ/mol
- # Enthalpy of formation: -6459.427 #kJ/mol #13BLA/VI; 11VIE/BLA
- -analytic -1.91133E+1 0E+0 3.18494E+4 0E+0 0E+0
-
-HVermiculite-Mg
-Mg0.43Mg3.00Si3.14Al0.86O10(OH)2:4.61H2O = 3.430Mg+2 + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) + 4.050H2O
- log_k 68.210
- delta_h -523.376 #kJ/mol
- # Enthalpy of formation: -7287.219 #kJ/mol #13BLA/VI; 11VIE/BLA
- -analytic -2.34814E+1 0E+0 2.73378E+4 0E+0 0E+0
-
-HVermiculite-Na
-Na0.86Mg3.00Si3.14Al0.86O10(OH)2:3.84H2O = 3.000Mg+2 + 0.860Na+ + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) + 3.280H2O
- log_k 96.550
- delta_h -673.353 #kJ/mol
- # Enthalpy of formation: -6923.035 #kJ/mol #13BLA/VI; 11VIE/BLA
- -analytic -2.14162E+1 0E+0 3.51716E+4 0E+0 0E+0
-
-Halite
-NaCl = 1.000Na+ + 1.000Cl-
- log_k 1.590
- delta_h 3.700 #kJ/mol
- # Enthalpy of formation: -411.12 #kJ/mol #98CHA
- -analytic 2.23821E+0 0E+0 -1.93264E+2 0E+0 0E+0
-
-Halloysite
-Al2Si2O5(OH)4 = 2.000Al+3 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O
- log_k 10.320
- delta_h -192.418 #kJ/mol
- # Enthalpy of formation: -4092.6 #kJ/mol #99DEL/NAV
- -analytic -2.33901E+1 0E+0 1.00507E+4 0E+0 0E+0
-
-Hausmannite
-Mn3O4 = 3.000Mn+2 - 6.000H+ + 3.000H2O + 0.500O2
- log_k 18.330 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.833E+1 0E+0 0E+0 0E+0 0E+0
-
-Heazlewoodite
-Ni3S2 = 3.000Ni+2 - 4.000H+ + 2.000HS- + 1.000H2O - 0.500O2
- log_k 25.760
- delta_h -260.199 #kJ/mol
- # Enthalpy of formation: -217.2 #kJ/mol #05GAM/BUG
- -analytic -1.98248E+1 0E+0 1.35911E+4 0E+0 0E+0
-
-Hematite
-Fe2O3 = 2.000Fe+3 - 6.000H+ + 3.000H2O
- log_k -1.020 #05GRI
- delta_h -123.679 #kJ/mol
- # Enthalpy of formation: -831.811 #kJ/mol
- -analytic -2.26876E+1 0E+0 6.46019E+3 0E+0 0E+0
-
-Hemicarboaluminate
-Ca6O6:Al4O6:CaCO3:Ca(OH)2:21H2O = 8.000Ca+2 + 4.000Al+3 - 26.000H+ + 1.000CO3-2 + 35.000H2O
- log_k 173.200 #07MAT/LOT1
- delta_h -1188.595 #kJ/mol
- # Enthalpy of formation: -15988.285 #kJ/mol
- -analytic -3.50326E+1 0E+0 6.20845E+4 0E+0 0E+0
-
-Herzenbergite
-SnS = 1.000Sn+2 - 1.000H+ + 1.000HS-
- log_k -16.210
- delta_h 83.683 #kJ/mol
- # Enthalpy of formation: -109.6 #kJ/mol #12GAM/GAJ
- -analytic -1.54939E+0 0E+0 -4.37106E+3 0E+0 0E+0
-
-Heulandite_Ca
-Ca1.07Al2.14Si6.86O18:6.17H2O = 1.070Ca+2 + 2.140Al+3 - 8.560H+ + 6.860H4(SiO4) - 3.270H2O
- log_k 2.460 #09BLA
- delta_h -155.113 #kJ/mol
- # Enthalpy of formation: -10667.2 #kJ/mol #09BLA
- -analytic -2.47146E+1 0E+0 8.1021E+3 0E+0 0E+0
-
-Heulandite_Na
-Na2.14Al2.14Si6.86O18:6.17H2O = 2.140Na+ + 2.140Al+3 - 8.560H+ + 6.860H4(SiO4) - 3.270H2O
- log_k 2.800 #09BLA
- delta_h -142.780 #kJ/mol
- # Enthalpy of formation: -10612.85 #kJ/mol #09BLA
- -analytic -2.22139E+1 0E+0 7.45791E+3 0E+0 0E+0
-
-Hexahydrite
-Mg(SO4):6H2O = 1.000Mg+2 + 1.000SO4-2 + 6.000H2O
- log_k -1.640 #84HAR/MOL
- delta_h -4.625 #kJ/mol
- # Enthalpy of formation: -3086.695 #kJ/mol
- -analytic -2.45026E+0 0E+0 2.4158E+2 0E+0 0E+0
-
-Hf(HPO4)2:H2O(s)
-Hf(HPO4)2:H2O = - 2.000H+ + 2.000H2(PO4)- + 1.000Hf+4 + 1.000H2O
- log_k -21.050 #25HEV/KIM recalculated
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -3481.6 #kJ/mol #97KAR/CHE
- -analytic -2.105E+1 0E+0 0E+0 0E+0 0E+0
-
-#Hf(cr)
-#Hf = 1.000Hf+4 + 2.000H2O - 4.000H+ - 1.000O2
- # log_k
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol
- # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-HfO2(am)
-HfO2 = - 4.000H+ + 1.000Hf+4 + 2.000H2O
- log_k 0.900 #01RAI/XIA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -1101.7 #kJ/mol #98KAR/CHE
- -analytic 9E-1 0E+0 0E+0 0E+0 0E+0
-
-HfO2(cr)
-HfO2 = - 4.000H+ + 1.000Hf+4 + 2.000H2O
- log_k -5.600
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -1117.63 #kJ/mol #75KOR/USH
- -analytic -5.6E+0 0E+0 0E+0 0E+0 0E+0
-
-Hg2SeO3(s)
-Hg2SeO3 = 1.000SeO3-2 + 1.000Hg2+2
- log_k -15.200 #05OLI/NOL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.52E+1 0E+0 0E+0 0E+0 0E+0
-
-HgSeO3(s)
-HgSeO3 = 1.000Hg+2 + 1.000SeO3-2
- log_k -16.200 #05OLI/NOL
- delta_h 36.650 #kJ/mol
- # Enthalpy of formation: -373.6 #kJ/mol #05OLI/NOL
- -analytic -9.77921E+0 0E+0 -1.91436E+3 0E+0 0E+0
-
-Hillebrandite
-Ca2SiO3(OH)2:0.17H2O = 2.000Ca+2 - 4.000H+ + 1.000H4(SiO4) + 1.170H2O
- log_k 36.950 #10BLA/BOU1
- delta_h -219.135 #kJ/mol
- # Enthalpy of formation: -2662.48 #kJ/mol #56NEW
- -analytic -1.44075E+0 0E+0 1.14462E+4 0E+0 0E+0
-
-Ho(OH)3(am)
-Ho(OH)3 = - 3.000H+ + 1.000Ho+3 + 3.000H2O
- log_k 17.480 #98DIA/RAG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.748E+1 0E+0 0E+0 0E+0 0E+0
-
-Ho(OH)3(s)
-Ho(OH)3 = - 3.000H+ + 1.000Ho+3 + 3.000H2O
- log_k 15.430 #98DIA/RAG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.543E+1 0E+0 0E+0 0E+0 0E+0
-
-Ho(PO4):xH2O(s)
-Ho(PO4) = - 2.000H+ + 1.000Ho+3 + 1.000H2(PO4)-
- log_k -4.640 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.64E+0 0E+0 0E+0 0E+0 0E+0
-
-Ho(cr)
-Ho = 1.000Ho+3 + 1.500H2O - 3.000H+ - 0.750O2
- log_k 182.795
- delta_h -1126.687 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA
- -analytic -1.45917E+1 0E+0 5.88508E+4 0E+0 0E+0
-
-Ho2(CO3)3(cr)
-Ho2(CO3)3 = 2.000Ho+3 + 3.000CO3-2
- log_k -33.800 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.38E+1 0E+0 0E+0 0E+0 0E+0
-
-Ho2O3(s)
-Ho2O3 = - 6.000H+ + 2.000Ho+3 + 3.000H2O
- log_k 47.410
- delta_h -390.718 #kJ/mol
- # Enthalpy of formation: -1880.856 #kJ/mol
- -analytic -2.10408E+1 0E+0 2.04086E+4 0E+0 0E+0
-
-HoCl3:6H2O(s)
-HoCl3:6H2O = 1.000Ho+3 + 3.000Cl- + 6.000H2O
- log_k 5.390 #95SPA/BRU
- delta_h -43.855 #kJ/mol
- # Enthalpy of formation: -2879.407 #kJ/mol
- -analytic -2.29305E+0 0E+0 2.2907E+3 0E+0 0E+0
-
-HoF3:0.5H2O(s)
-HoF3:0.5H2O = 1.000Ho+3 + 3.000F- + 0.500H2O
- log_k -16.400 #95SPA/BRU
- delta_h -149.007 #kJ/mol
- # Enthalpy of formation: -1707 #kJ/mol #82WAG/EVA
- -analytic -4.25049E+1 0E+0 7.78317E+3 0E+0 0E+0
-
-HoPO4:H2O(cr)
-HoPO4:H2O = - 2.000H+ + 1.000Ho+3 + 1.000H2(PO4)- + 1.000H2O
- log_k -5.560 #97LIU/BYR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -5.56E+0 0E+0 0E+0 0E+0 0E+0
-
-Hydrocerussite
-Pb3(CO3)2(OH)2 = 3.000Pb+2 - 2.000H+ + 2.000CO3-2 + 2.000H2O
- log_k -17.910
- delta_h -5.160 #kJ/mol
- # Enthalpy of formation: -1914.2 #kJ/mol #83SAN/BAR
- -analytic -1.8814E+1 0E+0 2.69525E+2 0E+0 0E+0
-
-Hydrophilite
-CaCl2 = 1.000Ca+2 + 2.000Cl-
- log_k 11.770
- delta_h -81.360 #kJ/mol
- # Enthalpy of formation: -795.8 #kJ/mol #98CHA
- -analytic -2.48364E+0 0E+0 4.24972E+3 0E+0 0E+0
-
-Hydrotalcite
-Mg4Al2(OH)14:3H2O = 4.000Mg+2 + 2.000Al+3 - 14.000H+ + 17.000H2O
- log_k 73.740 #92ATK/GLA
- delta_h -583.985 #kJ/mol
- # Enthalpy of formation: -7219.925 #kJ/mol
- -analytic -2.85696E+1 0E+0 3.05036E+4 0E+0 0E+0
-
-Hydrotalcite-CO3
-Mg4Al2(OH)12CO3:2H2O = 4.000Mg+2 + 2.000Al+3 - 12.000H+ + 1.000CO3-2 + 14.000H2O
- log_k 50.860 #03JOH/GLA
- delta_h -542.565 #kJ/mol
- # Enthalpy of formation: -7079.085 #kJ/mol
- -analytic -4.41932E+1 0E+0 2.83401E+4 0E+0 0E+0
-
-Hydroxyapatite
-Ca5(OH)(PO4)3 = 5.000Ca+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O
- log_k 14.350 #84NAN
- delta_h -178.487 #kJ/mol
- # Enthalpy of formation: -6730.143 #kJ/mol
- -analytic -1.69195E+1 0E+0 9.32301E+3 0E+0 0E+0
-
-Illite-Al
-K0.85Al2.85Si3.15O10(OH)2 = 0.850K+ + 2.850Al+3 - 9.400H+ + 3.150H4(SiO4) - 0.600H2O
- log_k 13.020
- delta_h -266.372 #kJ/mol
- # Enthalpy of formation: -5913.65 #kJ/mol #15BLA/VIE
- -analytic -3.36463E+1 0E+0 1.39136E+4 0E+0 0E+0
-
-Illite-FeII
-K0.85Fe0.25Al2.35Si3.4O10(OH)2 = 0.850K+ + 0.250Fe+2 + 2.350Al+3 - 8.400H+ + 3.400H4(SiO4) - 1.600H2O
- log_k 9.450
- delta_h -216.501 #kJ/mol
- # Enthalpy of formation: -5796.29 #kJ/mol #15BLA/VIE
- -analytic -2.84793E+1 0E+0 1.13086E+4 0E+0 0E+0
-
-Illite-Mg
-K0.85Mg0.25Al2.35Si3.4O10(OH)2 = 0.250Mg+2 + 0.850K+ + 2.350Al+3 - 8.400H+ + 3.400H4(SiO4) - 1.600H2O
- log_k 11.010
- delta_h -225.651 #kJ/mol
- # Enthalpy of formation: -5881.39 #kJ/mol #15BLA/VIE
- -analytic -2.85223E+1 0E+0 1.17866E+4 0E+0 0E+0
-
-Illite-Smec_ISCz-1(2.996H2O)
-(Na0.134K0.53)(Si3.565Al0.435)(Al1.717Fe0.05Fe0.017Mg0.218)O10(OH)2:2.996H2O = 0.218Mg+2 + 0.530K+ + 0.134Na+ + 0.050Fe+3 + 0.017Fe+2 + 2.152Al+3 - 7.740H+ + 3.565H4(SiO4) + 0.736H2O
- log_k 13.650
- delta_h -225.171 #kJ/mol
- # Enthalpy of formation: -6624.62 #kJ/mol #09GAI
- -analytic -2.57982E+1 0E+0 1.17615E+4 0E+0 0E+0
-
-Illite/smectiteISCz-1
-(Ca0.092K0.439)(Si3.559Al0.441)(Al1.728Fe0.011Fe0.034Mg0.255)O10(OH)2 = 0.092Ca+2 + 0.255Mg+2 + 0.439K+ + 0.034Fe+3 + 0.011Fe+2 + 2.169Al+3 - 7.764H+ + 3.559H4(SiO4) - 2.236H2O
- log_k 10.900
- delta_h -224.050 #kJ/mol
- # Enthalpy of formation: -5787.4 #kJ/mol #14BLA/GAI
- -analytic -2.83518E+1 0E+0 1.17029E+4 0E+0 0E+0
-
-Illite_Imt-2
-(Na0.044K0.762)(Si3.387Al0.613)(Al1.427Fe0.292Fe0.084Mg0.241)O10(OH)2 = 0.241Mg+2 + 0.762K+ + 0.044Na+ + 0.292Fe+3 + 0.084Fe+2 + 2.040Al+3 - 8.452H+ + 3.387H4(SiO4) - 1.548H2O
- log_k 11.540
- delta_h -230.806 #kJ/mol
- # Enthalpy of formation: -5711.25 #kJ/mol #12GAI/BLA
- -analytic -2.88954E+1 0E+0 1.20558E+4 0E+0 0E+0
-
-Jaffeite
-Ca6(Si2O7)(OH)6 = 6.000Ca+2 - 12.000H+ + 2.000H4(SiO4) + 5.000H2O
- log_k 114.060
- delta_h -636.768 #kJ/mol
- # Enthalpy of formation: -6972.77 #kJ/mol #10BLA/BOU1
- -analytic 2.5032E+0 0E+0 3.32607E+4 0E+0 0E+0
-
-Jennite
-Ca9Si6O16(OH)10:6(H2O) = 9.000Ca+2 - 18.000H+ + 6.000H4(SiO4) + 8.000H2O
- log_k 147.330 #10BLA/BOU1
- delta_h -751.764 #kJ/mol
- # Enthalpy of formation: -15189.04 #kJ/mol #10BLA/BOU1
- -analytic 1.56268E+1 0E+0 3.92673E+4 0E+0 0E+0
-
-K(NO3)(s)
-K(NO3) = 1.000K+ + 1.000NO3-
- log_k -0.100 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1E-1 0E+0 0E+0 0E+0 0E+0
-
-K(OH)(s)
-K(OH) = 1.000K+ - 1.000H+ + 1.000H2O
- log_k 24.600 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.46E+1 0E+0 0E+0 0E+0 0E+0
-
-K(TcO4)(s)
-K(TcO4) = 1.000K+ + 1.000TcO4-
- log_k -2.280
- delta_h 53.560 #kJ/mol
- # Enthalpy of formation: -1035.1 #kJ/mol #99RAR/RAN
- -analytic 7.1033E+0 0E+0 -2.79763E+3 0E+0 0E+0
-
-K(cr)
-K = 1.000K+ + 0.500H2O - 1.000H+ - 0.250O2
- log_k 70.985
- delta_h -392.022 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #89COX/WAG
- -analytic 2.30588E+0 0E+0 2.04767E+4 0E+0 0E+0
-
-K-carbonate
-K2CO3:1.5H2O = 2.000K+ + 1.000CO3-2 + 1.500H2O
- log_k 3.030 #84HAR/MOL
- delta_h -1.188 #kJ/mol
- # Enthalpy of formation: -1607.067 #kJ/mol
- -analytic 2.82187E+0 0E+0 6.20535E+1 0E+0 0E+0
-
-K-trona
-K2NaH(CO3)2:2H2O = 2.000K+ + 1.000Na+ + 1.000H+ + 2.000CO3-2 + 2.000H2O
- log_k -9.100 #84HAR/MOL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -9.1E+0 0E+0 0E+0 0E+0 0E+0
-
-K2CO3(cr)
-K2CO3 = 2.000K+ + 1.000CO3-2
- log_k 5.410
- delta_h -31.798 #kJ/mol
- # Enthalpy of formation: -1147.712 #kJ/mol
- -analytic -1.60762E-1 0E+0 1.66092E+3 0E+0 0E+0
-
-K2O(s)
-K2O = 2.000K+ - 2.000H+ + 1.000H2O
- log_k 84.110
- delta_h -426.940 #kJ/mol
- # Enthalpy of formation: -363.17 #kJ/mol #98CHA
- -analytic 9.31343E+0 0E+0 2.23006E+4 0E+0 0E+0
-
-K4NpO2(CO3)3(s)
-K4NpO2(CO3)3 = 4.000K+ + 1.000NpO2+2 + 3.000CO3-2
- log_k -26.400 #01LEM/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.64E+1 0E+0 0E+0 0E+0 0E+0
-
-KAl(SO4)2(s)
-KAl(SO4)2 = 1.000K+ + 1.000Al+3 + 2.000SO4-2
- log_k 3.740 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.74E+0 0E+0 0E+0 0E+0 0E+0
-
-KAl(SO4)2:12H2O(s)
-KAl(SO4)2:12H2O = 1.000K+ + 1.000Al+3 + 2.000SO4-2 + 12.000H2O
- log_k -6.680 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -6.68E+0 0E+0 0E+0 0E+0 0E+0
-
-KBr(s)
-KBr = 1.000K+ + 1.000Br-
- log_k 1.130 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.13E+0 0E+0 0E+0 0E+0 0E+0
-
-KFe(CrO4)2:2H2O(s)
-KFe(CrO4)2:2H2O = 1.000K+ + 1.000Fe+3 + 2.000CrO4-2 + 2.000H2O
- log_k -19.390 #98BAR/PAL
- delta_h 27.540 #kJ/mol #98BAR/PAL
- # Enthalpy of formation: -2658.34 #kJ/mol
- -analytic -1.45652E+1 0E+0 -1.43851E+3 0E+0 0E+0
-
-KFe3(CrO4)2(OH)6(cr)
-KFe3(CrO4)2(OH)6 = 1.000K+ + 3.000Fe+3 - 6.000H+ + 2.000CrO4-2 + 6.000H2O
- log_k -18.400 #96BAR/PAL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.84E+1 0E+0 0E+0 0E+0 0E+0
-
-KH2PO4(cr)
-KH2PO4 = 1.000K+ + 1.000H2(PO4)-
- log_k -0.370
- delta_h 19.686 #kJ/mol #74NAU/RYZ
- # Enthalpy of formation: -1574.426 #kJ/mol
- -analytic 3.07883E+0 0E+0 -1.02827E+3 0E+0 0E+0
-
-KI(s)
-KI = 1.000K+ + 1.000I-
- log_k 1.740 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.74E+0 0E+0 0E+0 0E+0 0E+0
-
-Kainite
-KMgCl(SO4):3H2O = 1.000Mg+2 + 1.000K+ + 1.000SO4-2 + 1.000Cl- + 3.000H2O
- log_k -0.190 #84HAR/MOL
- delta_h -12.950 #kJ/mol
- # Enthalpy of formation: -2640.1 #kJ/mol #82WAG/EVA
- -analytic -2.45874E+0 0E+0 6.76425E+2 0E+0 0E+0
-
-Kalicinite
-KHCO3 = 1.000K+ + 1.000H+ + 1.000CO3-2
- log_k -10.060 #84HAR/MOL
- delta_h 34.950 #kJ/mol
- # Enthalpy of formation: -962.32 #kJ/mol #74NAU/RYZ
- -analytic -3.93703E+0 0E+0 -1.82556E+3 0E+0 0E+0
-
-Kaolinite
-Al2(Si2O5)(OH)4 = 2.000Al+3 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O
- log_k 6.510
- delta_h -169.718 #kJ/mol
- # Enthalpy of formation: -4115.3 #kJ/mol #01FIA/NAV
- -analytic -2.32233E+1 0E+0 8.86498E+3 0E+0 0E+0
-
-Katoite
-Ca3Al2(SiO4)(OH)8 = 3.000Ca+2 + 2.000Al+3 - 12.000H+ + 1.000H4(SiO4) + 8.000H2O
- log_k 71.160 #10BLA/BOU2
- delta_h -545.657 #kJ/mol
- # Enthalpy of formation: -5907.977 #kJ/mol
- -analytic -2.44349E+1 0E+0 2.85016E+4 0E+0 0E+0
-
-Lanarkite
-PbSO4:PbO = 2.000Pb+2 - 2.000H+ + 1.000SO4-2 + 1.000H2O
- log_k 2.630 #82ABD/THO
- delta_h -39.234 #kJ/mol
- # Enthalpy of formation: -1154.096 #kJ/mol
- -analytic -4.24349E+0 0E+0 2.04933E+3 0E+0 0E+0
-
-Lansfordite
-Mg(CO3):5H2O = 1.000Mg+2 + 1.000CO3-2 + 5.000H2O
- log_k -5.040
- delta_h 2.890 #kJ/mol
- # Enthalpy of formation: -2574.27 #kJ/mol #99KON/KON
- -analytic -4.53369E+0 0E+0 -1.50955E+2 0E+0 0E+0
-
-Laumontite
-CaAl2Si4O12:4H2O = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 4.000H4(SiO4)
- log_k 11.700
- delta_h -213.576 #kJ/mol
- # Enthalpy of formation: -7251 #kJ/mol #96KIS/NAV
- -analytic -2.57169E+1 0E+0 1.11558E+4 0E+0 0E+0
-
-Laurionite
-PbClOH = 1.000Pb+2 - 1.000H+ + 1.000Cl- + 1.000H2O
- log_k 0.620 #99LOT/OCH
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.2E-1 0E+0 0E+0 0E+0 0E+0
-
-Lawrencite
-FeCl2 = 1.000Fe+2 + 2.000Cl-
- log_k 8.890
- delta_h -82.460 #kJ/mol
- # Enthalpy of formation: -341.7 #kJ/mol #95ROB/HEM
- -analytic -5.55635E+0 0E+0 4.30718E+3 0E+0 0E+0
-
-Leonhardtite
-MgSO4:4H2O = 1.000Mg+2 + 1.000SO4-2 + 4.000H2O
- log_k -0.890 #80HAR/WEA
- delta_h -24.030 #kJ/mol
- # Enthalpy of formation: -2495.63 #kJ/mol #74NAU/RYZ
- -analytic -5.09987E+0 0E+0 1.25517E+3 0E+0 0E+0
-
-Leonite
-K2Mg(SO4)2:4H2O = 1.000Mg+2 + 2.000K+ + 2.000SO4-2 + 4.000H2O
- log_k -3.980 #84HAR/MOL
- delta_h 15.290 #kJ/mol
- # Enthalpy of formation: -3948.57 #kJ/mol #74NAU/RYZ
- -analytic -1.30131E+0 0E+0 -7.98651E+2 0E+0 0E+0
-
-Lepidocrocite
-FeOOH = 1.000Fe+3 - 3.000H+ + 2.000H2O
- log_k 0.750 #98DIA2 in 98CHI
- delta_h -64.260 #kJ/mol
- # Enthalpy of formation: -556.4 #kJ/mol
- -analytic -1.05079E+1 0E+0 3.35653E+3 0E+0 0E+0
-
-Linnaeite
-Co3S4 = 3.000Co+2 - 2.000H+ + 4.000HS- - 1.000H2O + 0.500O2
- log_k -85.750
- delta_h 416.263 #kJ/mol
- # Enthalpy of formation: -374.5 #kJ/mol #95ROB/HEM
- -analytic -1.2824E+1 0E+0 -2.17429E+4 0E+0 0E+0
-
-Litharge
-PbO = 1.000Pb+2 - 2.000H+ + 1.000H2O
- log_k 12.630
- delta_h -65.501 #kJ/mol
- # Enthalpy of formation: -219.409 #kJ/mol #98CHA
- -analytic 1.15473E+0 0E+0 3.42135E+3 0E+0 0E+0
-
-Lizardite
-Mg3Si2O5(OH)4 = 3.000Mg+2 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O
- log_k 33.100
- delta_h -247.218 #kJ/mol
- # Enthalpy of formation: -4362 #kJ/mol #04EVA
- -analytic -1.02107E+1 0E+0 1.29131E+4 0E+0 0E+0
-
-Mackinawite
-FeS = 1.000Fe+2 - 1.000H+ + 1.000HS-
- log_k -3.600 #91DAV
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.6E+0 0E+0 0E+0 0E+0 0E+0
-
-Maghemite(disord)
-Fe2O3 = 2.000Fe+3 - 6.000H+ + 3.000H2O
- log_k 3.310 #98DIA1 in 98CHI
- delta_h -149.690 #kJ/mol
- # Enthalpy of formation: -805.8 #kJ/mol
- -analytic -2.29145E+1 0E+0 7.81884E+3 0E+0 0E+0
-
-Maghemite(ord)
-Fe2O3 = 2.000Fe+3 - 6.000H+ + 3.000H2O
- log_k 3.520 #98DIA1 in 98CHI
- delta_h -149.690 #kJ/mol
- # Enthalpy of formation: -805.8 #kJ/mol
- -analytic -2.27045E+1 0E+0 7.81884E+3 0E+0 0E+0
-
-Magnesite(nat)
-MgCO3 = 1.000Mg+2 + 1.000CO3-2
- log_k -8.910
- delta_h -24.290 #kJ/mol
- # Enthalpy of formation: -1117.94 #kJ/mol #99KON/KON
- -analytic -1.31654E+1 0E+0 1.26875E+3 0E+0 0E+0
-
-Magnesite(syn)
-Mg(CO3) = 1.000Mg+2 + 1.000CO3-2
- log_k -8.100
- delta_h -28.930 #kJ/mol
- # Enthalpy of formation: -1113.3 #kJ/mol #95ROB/HEM
- -analytic -1.31683E+1 0E+0 1.51112E+3 0E+0 0E+0
-
-Magnetite
-Fe3O4 = 2.000Fe+3 + 1.000Fe+2 - 8.000H+ + 4.000H2O
- log_k 10.410
- delta_h -215.920 #kJ/mol
- # Enthalpy of formation: -1115.4 #kJ/mol #88ONE
- -analytic -2.74175E+1 0E+0 1.12783E+4 0E+0 0E+0
-
-Manganite
-MnOOH = 1.000Mn+2 - 2.000H+ + 1.500H2O + 0.250O2
- log_k 3.775 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.775E+0 0E+0 0E+0 0E+0 0E+0
-
-Margarite
-CaAl4Si2O10(OH)2 = 1.000Ca+2 + 4.000Al+3 - 14.000H+ + 2.000H4(SiO4) + 4.000H2O
- log_k 37.000
- delta_h -518.308 #kJ/mol
- # Enthalpy of formation: -6244 #kJ/mol #95ROB/HEM
- -analytic -5.38035E+1 0E+0 2.70731E+4 0E+0 0E+0
-
-Massicot
-PbO = 1.000Pb+2 - 2.000H+ + 1.000H2O
- log_k 12.740
- delta_h -66.848 #kJ/mol
- # Enthalpy of formation: -218.062 #kJ/mol #98CHA
- -analytic 1.02875E+0 0E+0 3.49171E+3 0E+0 0E+0
-
-Melanterite
-FeSO4:7H2O = 1.000Fe+2 + 1.000SO4-2 + 7.000H2O
- log_k -2.210 #90NOR/PLU
- delta_h 20.543 #kJ/mol
- # Enthalpy of formation: -3020.693 #kJ/mol
- -analytic 1.38897E+0 0E+0 -1.07303E+3 0E+0 0E+0
-
-Mercallite
-KHSO4 = 1.000K+ + 1.000H+ + 1.000SO4-2
- log_k -1.400 #84HAR/MOL
- delta_h -0.590 #kJ/mol
- # Enthalpy of formation: -1160.89 #kJ/mol #74NAU/RYZ
- -analytic -1.50336E+0 0E+0 3.08178E+1 0E+0 0E+0
-
-Merlinoite_K
-K1.04Al1.04Si1.96O6:1.69H2O = 1.040K+ + 1.040Al+3 - 4.160H+ + 1.960H4(SiO4) - 0.150H2O
- log_k 9.490
- delta_h -105.627 #kJ/mol
- # Enthalpy of formation: -3537.6 #kJ/mol #09BLA
- -analytic -9.01503E+0 0E+0 5.51727E+3 0E+0 0E+0
-
-Merlinoite_Na
-Na1.04Al1.04Si1.96O6:2.27H2O = 1.040Na+ + 1.040Al+3 - 4.160H+ + 1.960H4(SiO4) + 0.430H2O
- log_k 10.300
- delta_h -115.307 #kJ/mol
- # Enthalpy of formation: -3681.43 #kJ/mol #09BLA
- -analytic -9.90089E+0 0E+0 6.0229E+3 0E+0 0E+0
-
-Mg(HPO4):3H2O(s)
-Mg(HPO4):3H2O = 1.000Mg+2 - 1.000H+ + 1.000H2(PO4)- + 3.000H2O
- log_k 1.410 #01WEN/MUS
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.41E+0 0E+0 0E+0 0E+0 0E+0
-
-Mg(NO3)2(s)
-Mg(NO3)2 = 1.000Mg+2 + 2.000NO3-
- log_k 15.500 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.55E+1 0E+0 0E+0 0E+0 0E+0
-
-Mg(NO3)2:6H2O(s)
-Mg(NO3)2:6H2O = 1.000Mg+2 + 2.000NO3- + 6.000H2O
- log_k 2.580 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.58E+0 0E+0 0E+0 0E+0 0E+0
-
-Mg(SO4)(s)
-Mg(SO4) = 1.000Mg+2 + 1.000SO4-2
- log_k 9.100
- delta_h -114.550 #kJ/mol
- # Enthalpy of formation: -1261.79 #kJ/mol #98CHA
- -analytic -1.09683E+1 0E+0 5.98335E+3 0E+0 0E+0
-
-Mg(SO4):H2O(s)
-Mg(SO4):H2O = 1.000Mg+2 + 1.000SO4-2 + 1.000H2O
- log_k -0.120 #84HAR/MOL
- delta_h -51.464 #kJ/mol
- # Enthalpy of formation: -1610.706 #kJ/mol
- -analytic -9.13609E+0 0E+0 2.68815E+3 0E+0 0E+0
-
-Mg(SeO3):6H2O(s)
-Mg(SeO3):6H2O = 1.000Mg+2 + 1.000SeO3-2 + 6.000H2O
- log_k -5.820 #05OLI/NOL
- delta_h 18.070 #kJ/mol
- # Enthalpy of formation: -2707.21 #kJ/mol #05OLI/NOL
- -analytic -2.65428E+0 0E+0 -9.4386E+2 0E+0 0E+0
-
-Mg(SeO4):6H2O(s)
-Mg(SeO4):6H2O = 1.000Mg+2 + 1.000SeO4-2 + 6.000H2O
- log_k -1.133 #05OLI/NOL
- delta_h -4.080 #kJ/mol
- # Enthalpy of formation: -2781.4 #kJ/mol #05OLI/NOL
- -analytic -1.84778E+0 0E+0 2.13113E+2 0E+0 0E+0
-
-Mg(cr)
-Mg = 1.000Mg+2 + 1.000H2O - 2.000H+ - 0.500O2
- log_k 122.770
- delta_h -746.763 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #89COX/WAG
- -analytic -8.05707E+0 0E+0 3.90061E+4 0E+0 0E+0
-
-Mg-oxychlorur
-Mg2Cl(OH)3:4H2O = 2.000Mg+2 - 3.000H+ + 1.000Cl- + 7.000H2O
- log_k 26.030 #84HAR/MOL
- delta_h -154.690 #kJ/mol
- # Enthalpy of formation: -2947.2 #kJ/mol #82WAG/EVA
- -analytic -1.07048E+0 0E+0 8.08001E+3 0E+0 0E+0
-
-Mg3(PO4)2(cr)
-Mg3(PO4)2 = 3.000Mg+2 - 4.000H+ + 2.000H2(PO4)-
- log_k 15.820 #68RAC/SOP
- delta_h -214.093 #kJ/mol
- # Enthalpy of formation: -3792.107 #kJ/mol
- -analytic -2.16874E+1 0E+0 1.11828E+4 0E+0 0E+0
-
-Mg3(PO4)2:22H2O(s)
-Mg3(PO4)2:22H2O = 3.000Mg+2 - 4.000H+ + 2.000H2(PO4)- + 22.000H2O
- log_k 16.000 #63TAY/FRA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.6E+1 0E+0 0E+0 0E+0 0E+0
-
-Mg3(PO4)2:8H2O(s)
-Mg3(PO4)2:8H2O = 3.000Mg+2 - 4.000H+ + 2.000H2(PO4)- + 8.000H2O
- log_k 13.900 #63TAY/FRA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.39E+1 0E+0 0E+0 0E+0 0E+0
-
-Mg5(CO3)4(OH)2:4H2O(s)
-Mg5(CO3)4(OH)2:4H2O = 5.000Mg+2 - 2.000H+ + 4.000CO3-2 + 6.000H2O
- log_k -10.310
- delta_h -234.900 #kJ/mol
- # Enthalpy of formation: -6516 #kJ/mol #73ROB/HEM
- -analytic -5.14627E+1 0E+0 1.22697E+4 0E+0 0E+0
-
-MgBr2(s)
-MgBr2 = 1.000Mg+2 + 2.000Br-
- log_k 27.800 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.78E+1 0E+0 0E+0 0E+0 0E+0
-
-MgBr2:6H2O(s)
-MgBr2:6H2O = 1.000Mg+2 + 2.000Br- + 6.000H2O
- log_k 5.220 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.22E+0 0E+0 0E+0 0E+0 0E+0
-
-MgCl2(s)
-MgCl2 = 1.000Mg+2 + 2.000Cl-
- log_k 22.030
- delta_h -159.540 #kJ/mol
- # Enthalpy of formation: -641.62 #kJ/mol #98CHA
- -analytic -5.92017E+0 0E+0 8.33334E+3 0E+0 0E+0
-
-MgCl2:2H2O(s)
-MgCl2:2H2O = 1.000Mg+2 + 2.000Cl- + 2.000H2O
- log_k 12.900 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0
-
-MgCl2:4H2O(s)
-MgCl2:4H2O = 1.000Mg+2 + 2.000Cl- + 4.000H2O
- log_k 7.440 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 7.44E+0 0E+0 0E+0 0E+0 0E+0
-
-MgCl2:H2O(s)
-MgCl2:H2O = 1.000Mg+2 + 2.000Cl- + 1.000H2O
- log_k 16.220 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.622E+1 0E+0 0E+0 0E+0 0E+0
-
-MgCrO4(s)
-MgCrO4 = 1.000Mg+2 + 1.000CrO4-2
- log_k -86.990
- delta_h 437.600 #kJ/mol
- # Enthalpy of formation: -1783.6 #kJ/mol #95ROB/HEM
- -analytic -1.03259E+1 0E+0 -2.28574E+4 0E+0 0E+0
-
-MgF2(cr)
-MgF2 = 1.000Mg+2 + 2.000F-
- log_k -9.220 #92GRE/FUG
- delta_h -13.500 #kJ/mol
- # Enthalpy of formation: -1124.2 #kJ/mol
- -analytic -1.15851E+1 0E+0 7.05153E+2 0E+0 0E+0
-
-MgI2(s)
-MgI2 = 1.000Mg+2 + 2.000I-
- log_k 35.000 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.5E+1 0E+0 0E+0 0E+0 0E+0
-
-MgMoO4(s)
-MgMoO4 = 1.000Mg+2 + 1.000MoO4-2
- log_k -0.640
- delta_h -62.967 #kJ/mol
- # Enthalpy of formation: -1401.033 #kJ/mol
- -analytic -1.16713E+1 0E+0 3.28899E+3 0E+0 0E+0
-
-Microcline
-KAlSi3O8 = 1.000K+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 4.000H2O
- log_k 0.050
- delta_h -56.463 #kJ/mol
- # Enthalpy of formation: -3974.34 #kJ/mol #99ARN/STE
- -analytic -9.84188E+0 0E+0 2.94926E+3 0E+0 0E+0
-
-Millerite
-NiS = 1.000Ni+2 - 1.000H+ + 1.000HS-
- log_k -10.130
- delta_h 22.688 #kJ/mol
- # Enthalpy of formation: -94 #kJ/mol #05GAM/BUG
- -analytic -6.15524E+0 0E+0 -1.18508E+3 0E+0 0E+0
-
-Minium
-Pb3O4 = 3.000Pb+2 - 6.000H+ + 3.000H2O + 0.500O2
- log_k 30.540
- delta_h -142.111 #kJ/mol
- # Enthalpy of formation: -718.686 #kJ/mol
- -analytic 5.64326E+0 0E+0 7.42296E+3 0E+0 0E+0
-
-Minnesotaite
-Fe3Si4O10(OH)2 = 3.000Fe+2 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
- log_k 14.930
- delta_h -148.466 #kJ/mol
- # Enthalpy of formation: -4822.99 #kJ/mol #83MIY/KLE
- -analytic -1.10801E+1 0E+0 7.75491E+3 0E+0 0E+0
-
-Mirabilite
-Na2SO4:10H2O = 2.000Na+ + 1.000SO4-2 + 10.000H2O
- log_k -1.230 #84HAR/MOL
- delta_h 79.471 #kJ/mol
- # Enthalpy of formation: -4327.791 #kJ/mol
- -analytic 1.26927E+1 0E+0 -4.15105E+3 0E+0 0E+0
-
-Mn(H2SiO4)(s)
-Mn(H2SiO4) = 1.000Mn+2 - 2.000H+ + 1.000H4(SiO4)
- log_k 12.440 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.244E+1 0E+0 0E+0 0E+0 0E+0
-
-Mn(HPO4)(s)
-Mn(HPO4) = 1.000Mn+2 - 1.000H+ + 1.000H2(PO4)-
- log_k -5.740 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -5.74E+0 0E+0 0E+0 0E+0 0E+0
-
-Mn(SO4)(s)
-Mn(SO4) = 1.000Mn+2 + 1.000SO4-2
- log_k -2.680 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.68E+0 0E+0 0E+0 0E+0 0E+0
-
-Mn(SeO3):2H2O(cr)
-Mn(SeO3):2H2O = 1.000Mn+2 + 1.000SeO3-2 + 2.000H2O
- log_k -7.600 #05OLI/NOL
- delta_h -18.920 #kJ/mol
- # Enthalpy of formation: -1280.7 #kJ/mol #05OLI/NOL
- -analytic -1.09146E+1 0E+0 9.88259E+2 0E+0 0E+0
-
-#Mn(cr)
-#Mn = 1.000Mn+2 + 1.000H2O - 2.000H+ - 0.500O2
- # log_k
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA in 05OLI/NOL
- # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-Mn2(Pyrophos)(s)
-Mn2(Pyrophos) = 2.000Mn+2 + 1.000Pyrophos-4
- log_k -19.500 #88CHA/NEW
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.95E+1 0E+0 0E+0 0E+0 0E+0
-
-Mn3(PO4)2(s)
-Mn3(PO4)2 = 3.000Mn+2 - 4.000H+ + 2.000H2(PO4)-
- log_k 15.320 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.532E+1 0E+0 0E+0 0E+0 0E+0
-
-Mn3(PO4)2:3H2O(s)
-Mn3(PO4)2:3H2O = 3.000Mn+2 - 4.000H+ + 2.000H2(PO4)- + 3.000H2O
- log_k 2.320 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.32E+0 0E+0 0E+0 0E+0 0E+0
-
-MnCl2:2H2O(s)
-MnCl2:2H2O = 1.000Mn+2 + 2.000Cl- + 2.000H2O
- log_k 3.980 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.98E+0 0E+0 0E+0 0E+0 0E+0
-
-MnCl2:4H2O(s)
-MnCl2:4H2O = 1.000Mn+2 + 2.000Cl- + 4.000H2O
- log_k 2.710 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.71E+0 0E+0 0E+0 0E+0 0E+0
-
-MnCl2:H2O(s)
-MnCl2:H2O = 1.000Mn+2 + 2.000Cl- + 1.000H2O
- log_k 5.530 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.53E+0 0E+0 0E+0 0E+0 0E+0
-
-MnO(s)
-MnO = 1.000Mn+2 - 2.000H+ + 1.000H2O
- log_k 17.900 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.79E+1 0E+0 0E+0 0E+0 0E+0
-
-MnO2(s)
-MnO2 = 1.000Mn+2 - 2.000H+ + 1.000H2O + 0.500O2
- log_k -0.990 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -9.9E-1 0E+0 0E+0 0E+0 0E+0
-
-MnSe(alfa)
-MnSe = 1.000Mn+2 - 1.000H+ + 1.000HSe-
- log_k 0.300
- delta_h -28.579 #kJ/mol
- # Enthalpy of formation: -177.921 #kJ/mol
- -analytic -4.70682E+0 0E+0 1.49278E+3 0E+0 0E+0
-
-MnSe2(cr)
-MnSe2 = 1.000Mn+2 + 2.000HSe- - 1.000H2O + 0.500O2
- log_k -51.140
- delta_h 268.063 #kJ/mol
- # Enthalpy of formation: -180.5 #kJ/mol #05OLI/NOL
- -analytic -4.17745E+0 0E+0 -1.40019E+4 0E+0 0E+0
-
-Mo(s)
-Mo = 2.000H+ + 1.000MoO4-2 - 1.000H2O - 1.500O2
- log_k 109.390
- delta_h -692.969 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA
- -analytic -1.20128E+1 0E+0 3.61962E+4 0E+0 0E+0
-
-Mo3O8(s)
-Mo3O8 = 6.000H+ + 3.000MoO4-2 - 3.000H2O - 0.500O2
- log_k -20.570
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.057E+1 0E+0 0E+0 0E+0 0E+0
-
-MoO2(s)
-MoO2 = 2.000H+ + 1.000MoO4-2 - 1.000H2O - 0.500O2
- log_k 13.110
- delta_h -117.246 #kJ/mol
- # Enthalpy of formation: -587.857 #kJ/mol
- -analytic -7.43059E+0 0E+0 6.12418E+3 0E+0 0E+0
-
-MoO3(s)
-MoO3 = 2.000H+ + 1.000MoO4-2 - 1.000H2O
- log_k -11.980
- delta_h 34.001 #kJ/mol
- # Enthalpy of formation: -745.171 #kJ/mol
- -analytic -6.02329E+0 0E+0 -1.77599E+3 0E+0 0E+0
-
-MoS2(s)
-MoS2 = 4.000H+ + 2.000HS- + 1.000MoO4-2 - 3.000H2O - 0.500O2
- log_k -26.920
- delta_h 105.752 #kJ/mol
- # Enthalpy of formation: -271.795 #kJ/mol
- -analytic -8.39307E+0 0E+0 -5.5238E+3 0E+0 0E+0
-
-MoS3(s)
-MoS3 = 5.000H+ + 3.000HS- + 1.000MoO4-2 - 4.000H2O
- log_k -68.070
- delta_h 354.849 #kJ/mol
- # Enthalpy of formation: -257.429 #kJ/mol
- -analytic -5.90321E+0 0E+0 -1.8535E+4 0E+0 0E+0
-
-Monocarboaluminate
-(CaO)3Al2O3:CaCO3:10.68H2O = 4.000Ca+2 + 2.000Al+3 - 12.000H+ + 1.000CO3-2 + 16.680H2O
- log_k 70.300 #95DAM/GLA
- delta_h -515.924 #kJ/mol
- # Enthalpy of formation: -8175.75 #kJ/mol #10BLA/BOU2
- -analytic -2.00859E+1 0E+0 2.69485E+4 0E+0 0E+0
-
-Monosulfate-Fe
-Ca4Fe2(SO4)(OH)12:6H2O = 4.000Ca+2 + 2.000Fe+3 - 12.000H+ + 1.000SO4-2 + 18.000H2O
- log_k 66.050 #10BLA/BOU2
- delta_h -477.312 #kJ/mol
- # Enthalpy of formation: -7846.968 #kJ/mol
- -analytic -1.75714E+1 0E+0 2.49317E+4 0E+0 0E+0
-
-Monosulfoaluminate
-Ca4Al2(SO4)(OH)12:6H2O = 4.000Ca+2 + 2.000Al+3 - 12.000H+ + 1.000SO4-2 + 18.000H2O
- log_k 73.070 #10BLA/BOU2
- delta_h -539.400 #kJ/mol
- # Enthalpy of formation: -8763.68 #kJ/mol #10BLA/BOU2
- -analytic -2.14287E+1 0E+0 2.81748E+4 0E+0 0E+0
-
-Montmorillonite-BCCa
-Ca0.17Mg0.34Al1.66Si4O10(OH)2 = 0.170Ca+2 + 0.340Mg+2 + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
- log_k 4.200
- delta_h -156.000 #kJ/mol
- # Enthalpy of formation: -5690.29 #kJ/mol #15BLA/VIE
- -analytic -2.313E+1 0E+0 8.14844E+3 0E+0 0E+0
-
-Montmorillonite-BCK
-K0.34Mg0.34Al1.66Si4O10(OH)2 = 0.340Mg+2 + 0.340K+ + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
- log_k 2.810
- delta_h -136.198 #kJ/mol
- # Enthalpy of formation: -5703.51 #kJ/mol #15BLA/VIE
- -analytic -2.10508E+1 0E+0 7.11411E+3 0E+0 0E+0
-
-Montmorillonite-BCMg
-Mg0.17Mg0.34Al1.66Si4O10(OH)2 = 0.510Mg+2 + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
- log_k 3.690
- delta_h -157.360 #kJ/mol
- # Enthalpy of formation: -5676.01 #kJ/mol #15BLA/VIE
- -analytic -2.38782E+1 0E+0 8.21947E+3 0E+0 0E+0
-
-Montmorillonite-BCNa
-Na0.34Mg0.34Al1.66Si4O10(OH)2 = 0.340Mg+2 + 0.340Na+ + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
- log_k 3.390
- delta_h -145.286 #kJ/mol
- # Enthalpy of formation: -5690.41 #kJ/mol #15BLA/VIE
- -analytic -2.2063E+1 0E+0 7.58881E+3 0E+0 0E+0
-
-Montmorillonite-HCCa
-Ca0.3Mg0.6Al1.4Si4O10(OH)2 = 0.300Ca+2 + 0.600Mg+2 + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
- log_k 6.890
- delta_h -163.896 #kJ/mol
- # Enthalpy of formation: -5734.42 #kJ/mol #15BLA/VIE
- -analytic -2.18233E+1 0E+0 8.56087E+3 0E+0 0E+0
-
-Montmorillonite-HCK
-K0.6Mg0.6Al1.4Si4O10(OH)2 = 0.600Mg+2 + 0.600K+ + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
- log_k 4.430
- delta_h -128.960 #kJ/mol
- # Enthalpy of formation: -5757.74 #kJ/mol #15BLA/VIE
- -analytic -1.81628E+1 0E+0 6.73604E+3 0E+0 0E+0
-
-Montmorillonite-HCMg
-Mg0.3Mg0.6Al1.4Si4O10(OH)2 = 0.900Mg+2 + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
- log_k 5.980
- delta_h -166.296 #kJ/mol
- # Enthalpy of formation: -5709.22 #kJ/mol #15BLA/VIE
- -analytic -2.31538E+1 0E+0 8.68623E+3 0E+0 0E+0
-
-Montmorillonite-HCNa
-Na0.6Mg0.6Al1.4Si4O10(OH)2 = 0.600Mg+2 + 0.600Na+ + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
- log_k 5.450
- delta_h -144.990 #kJ/mol
- # Enthalpy of formation: -5734.63 #kJ/mol #15BLA/VIE
- -analytic -1.99511E+1 0E+0 7.57334E+3 0E+0 0E+0
-
-Mordenite_Ca
-Ca0.515Al1.03Si4.97O12:3.1H2O = 0.515Ca+2 + 1.030Al+3 - 4.120H+ + 4.970H4(SiO4) - 4.780H2O
- log_k -2.920 #09BLA
- delta_h -74.768 #kJ/mol
- # Enthalpy of formation: -6655.295 #kJ/mol
- -analytic -1.60188E+1 0E+0 3.9054E+3 0E+0 0E+0
-
-Mordenite_Oregon
-Ca0.289Na0.362Al0.94Si5.06O12:3.468H2O = 0.289Ca+2 + 0.362Na+ + 0.940Al+3 - 3.760H+ + 5.060H4(SiO4) - 4.772H2O
- log_k -4.160
- delta_h -41.247 #kJ/mol
- # Enthalpy of formation: -6738.44 #kJ/mol #92JOH/TAS
- -analytic -1.13862E+1 0E+0 2.15448E+3 0E+0 0E+0
-
-Muscovite
-KAl3Si3O10(OH)2 = 1.000K+ + 3.000Al+3 - 10.000H+ + 3.000H4(SiO4)
- log_k 13.040
- delta_h -276.122 #kJ/mol
- # Enthalpy of formation: -5974.8 #kJ/mol #95HAS/CYG
- -analytic -3.53344E+1 0E+0 1.44228E+4 0E+0 0E+0
-
-Na(NO3)(s)
-Na(NO3) = 1.000Na+ + 1.000NO3-
- log_k 1.090 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.09E+0 0E+0 0E+0 0E+0 0E+0
-
-Na(TcO4):4H2O(s)
-Na(TcO4):4H2O = 1.000Na+ + 1.000TcO4- + 4.000H2O
- log_k 0.790 #99RAR/RAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 7.9E-1 0E+0 0E+0 0E+0 0E+0
-
-Na(cr)
-Na = 1.000Na+ + 0.500H2O - 1.000H+ - 0.250O2
- log_k 67.385
- delta_h -380.222 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG (89COX/WAG)
- -analytic 7.7315E-1 0E+0 1.98603E+4 0E+0 0E+0
-
-Na2(CO3)(cr)
-Na2(CO3) = 2.000Na+ + 1.000CO3-2
- log_k 1.120
- delta_h -26.710 #kJ/mol
- # Enthalpy of formation: -1129.2 #kJ/mol #95ROB/HEM
- -analytic -3.55938E+0 0E+0 1.39516E+3 0E+0 0E+0
-
-Na2B4O7(cr)
-Na2B4O7 = 2.000Na+ + 2.000H+ + 4.000B(OH)4- - 9.000H2O
- log_k -16.060
- delta_h 2.534 #kJ/mol
- # Enthalpy of formation: -3291.208 #kJ/mol
- -analytic -1.56161E+1 0E+0 -1.3236E+2 0E+0 0E+0
-
-Na2B4O7:10H2O(s)
-Na2B4O7:10H2O = 2.000Na+ + 2.000H+ + 4.000B(OH)4- + 1.000H2O
- log_k -24.580
- delta_h 141.721 #kJ/mol
- # Enthalpy of formation: -6288.445 #kJ/mol
- -analytic 2.48417E-1 0E+0 -7.40259E+3 0E+0 0E+0
-
-Na2CO3:7H2O(s)
-Na2CO3:7H2O = 2.000Na+ + 1.000CO3-2 + 7.000H2O
- log_k -0.460 #84HAR/MOL
- delta_h 42.682 #kJ/mol
- # Enthalpy of formation: -3199.402 #kJ/mol
- -analytic 7.01755E+0 0E+0 -2.22943E+3 0E+0 0E+0
-
-Na2HPO4(cr)
-Na2HPO4 = 2.000Na+ - 1.000H+ + 1.000H2(PO4)-
- log_k 9.240
- delta_h -35.180 #kJ/mol
- # Enthalpy of formation: -1748.1 #kJ/mol #82WAG/EVA
- -analytic 3.07674E+0 0E+0 1.83758E+3 0E+0 0E+0
-
-Na2O(cr)
-Na2O = 2.000Na+ - 2.000H+ + 1.000H2O
- log_k 67.460
- delta_h -351.710 #kJ/mol
- # Enthalpy of formation: -414.8 #kJ/mol #95ROB/HEM
- -analytic 5.84314E+0 0E+0 1.83711E+4 0E+0 0E+0
-
-Na2ZrSi2O7(cr)
-Na2ZrSi2O7 = 2.000Na+ - 6.000H+ + 2.000H4(SiO4) + 1.000Zr+4 - 1.000H2O
- log_k 3.740
- delta_h -119.738 #kJ/mol
- # Enthalpy of formation: -3606 #kJ/mol #05BRO/CUR
- -analytic -1.72372E+1 0E+0 6.25434E+3 0E+0 0E+0
-
-Na2ZrSi3O9:2H2O(cr)
-Na2ZrSi3O9:2H2O = 2.000Na+ - 6.000H+ + 3.000H4(SiO4) + 1.000Zr+4 - 1.000H2O
- log_k 15.580
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.558E+1 0E+0 0E+0 0E+0 0E+0
-
-Na2ZrSi4O11(cr)
-Na2ZrSi4O11 = 2.000Na+ - 6.000H+ + 4.000H4(SiO4) + 1.000Zr+4 - 5.000H2O
- log_k -13.560
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.356E+1 0E+0 0E+0 0E+0 0E+0
-
-Na2ZrSi6O15:3H2O(cr)
-Na2ZrSi6O15:3H2O = 2.000Na+ - 6.000H+ + 6.000H4(SiO4) + 1.000Zr+4 - 6.000H2O
- log_k 16.460
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.646E+1 0E+0 0E+0 0E+0 0E+0
-
-Na2ZrSiO5(cr)
-Na2ZrSiO5 = 2.000Na+ - 6.000H+ + 1.000H4(SiO4) + 1.000Zr+4 + 1.000H2O
- log_k 13.190
- delta_h -166.204 #kJ/mol
- # Enthalpy of formation: -2670 #kJ/mol #05BRO/CUR
- -analytic -1.59276E+1 0E+0 8.68143E+3 0E+0 0E+0
-
-Na3PO4(cr)
-Na3PO4 = 3.000Na+ - 2.000H+ + 1.000H2(PO4)-
- log_k 23.520
- delta_h -106.218 #kJ/mol
- # Enthalpy of formation: -1917.402 #kJ/mol #74NAU/RYZ
- -analytic 4.91143E+0 0E+0 5.54814E+3 0E+0 0E+0
-
-Na4Zr2Si3O12(cr)
-Na4Zr2Si3O12 = 4.000Na+ - 12.000H+ + 3.000H4(SiO4) + 2.000Zr+4
- log_k 15.510
- delta_h -276.942 #kJ/mol
- # Enthalpy of formation: -6285 #kJ/mol #05BRO/CUR
- -analytic -3.30081E+1 0E+0 1.44657E+4 0E+0 0E+0
-
-Na6Th(CO3)5:12H2O(cr)
-Na6Th(CO3)5:12H2O = 6.000Na+ + 1.000Th+4 + 5.000CO3-2 + 12.000H2O
- log_k -42.200 #09RAN/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.22E+1 0E+0 0E+0 0E+0 0E+0
-
-NaAmO2CO3(s)
-NaAmO2CO3 = 1.000Na+ + 1.000AmO2+ + 1.000CO3-2
- log_k -10.900 #94GIF, 94RUN/KIM, 96RUN/NEU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.09E+1 0E+0 0E+0 0E+0 0E+0
-
-NaBO2(s)
-NaBO2 = 1.000Na+ + 1.000B(OH)4- - 2.000H2O
- log_k 3.620
- delta_h -36.790 #kJ/mol
- # Enthalpy of formation: -977.006 #kJ/mol
- -analytic -2.82532E+0 0E+0 1.92167E+3 0E+0 0E+0
-
-NaCm(CO3)2:5H2O(s)
-NaCm(CO3)2:5H2O = 1.000Na+ + 2.000CO3-2 + 1.000Cm+3 + 5.000H2O
- log_k -21.000 #estimated by correlation with Ln(III) and An(III)
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.1E+1 0E+0 0E+0 0E+0 0E+0
-
-NaEu(CO3)2:5H2O(s)
-NaEu(CO3)2:5H2O = 1.000Na+ + 1.000Eu+3 + 2.000CO3-2 + 5.000H2O
- log_k -20.900 #05VER/VIT2
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.09E+1 0E+0 0E+0 0E+0 0E+0
-
-NaF(s)
-NaF = 1.000Na+ + 1.000F-
- log_k -0.480 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.8E-1 0E+0 0E+0 0E+0 0E+0
-
-NaH2PO4(cr)
-NaH2PO4 = 1.000Na+ + 1.000H2(PO4)-
- log_k 2.300
- delta_h -6.140 #kJ/mol
- # Enthalpy of formation: -1536.8 #kJ/mol #82WAG/EVA
- -analytic 1.22432E+0 0E+0 3.20714E+2 0E+0 0E+0
-
-NaHo(CO3)2:5H2O(s)
-NaHo(CO3)2:5H2O = 1.000Na+ + 1.000Ho+3 + 2.000CO3-2 + 5.000H2O
- log_k -20.500 #Estimated by ionic radii correlation
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.05E+1 0E+0 0E+0 0E+0 0E+0
-
-NaNbO3(s)
-NaNbO3 = 1.000Na+ + 1.000Nb(OH)6- - 3.000H2O
- log_k -3.660
- delta_h 7.504 #kJ/mol
- # Enthalpy of formation: -1316.013 #kJ/mol
- -analytic -2.34536E+0 0E+0 -3.91961E+2 0E+0 0E+0
-
-NaSm(CO3)2:5H2O(s)
-NaSm(CO3)2:5H2O = 1.000Na+ + 1.000Sm+3 + 2.000CO3-2 + 5.000H2O
- log_k -20.990 #Estimated by ionic radii
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.099E+1 0E+0 0E+0 0E+0 0E+0
-
-Nahcolite
-Na(HCO3) = 1.000Na+ + 1.000H+ + 1.000CO3-2
- log_k -10.740 #84HAR/MOL
- delta_h 33.430 #kJ/mol
- # Enthalpy of formation: -949 #kJ/mol #82VAN
- -analytic -4.88332E+0 0E+0 -1.74617E+3 0E+0 0E+0
-
-Natrolite
-Na2(Al2Si3)O10:2H2O = 2.000Na+ + 2.000Al+3 - 8.000H+ + 3.000H4(SiO4)
- log_k 19.330
- delta_h -222.462 #kJ/mol
- # Enthalpy of formation: -5718.6 #kJ/mol #83JOH/FLO
- -analytic -1.96436E+1 0E+0 1.162E+4 0E+0 0E+0
-
-Natron
-Na2(CO3):10H2O = 2.000Na+ + 1.000CO3-2 + 10.000H2O
- log_k -0.830 #84HAR/MOL
- delta_h 64.870 #kJ/mol
- # Enthalpy of formation: -4079 #kJ/mol
- -analytic 1.05347E+1 0E+0 -3.38839E+3 0E+0 0E+0
-
-Nb(cr)
-Nb = 1.000H+ + 1.000Nb(OH)6- - 3.500H2O - 1.250O2
- log_k 149.295
- delta_h -910.093 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA
- -analytic -1.01461E+1 0E+0 4.75374E+4 0E+0 0E+0
-
-Nb2O5(s)
-Nb2O5 = 2.000H+ + 2.000Nb(OH)6- - 7.000H2O
- log_k -28.380 #97PEI/NGU
- delta_h 52.400 #kJ/mol #97PEI/NGU
- # Enthalpy of formation: -1902.92 #kJ/mol
- -analytic -1.91999E+1 0E+0 -2.73704E+3 0E+0 0E+0
-
-Nesquehonite
-Mg(CO3):3H2O = 1.000Mg+2 + 1.000CO3-2 + 3.000H2O
- log_k -5.100
- delta_h -22.420 #kJ/mol
- # Enthalpy of formation: -1977.3 #kJ/mol #73ROB/HEM
- -analytic -9.02781E+0 0E+0 1.17108E+3 0E+0 0E+0
-
-Ni(BO2)2(s)
-Ni(BO2)2 = 1.000Ni+2 + 2.000B(OH)4- - 4.000H2O
- log_k -8.700 #92PEA/BER
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -8.7E+0 0E+0 0E+0 0E+0 0E+0
-
-#Ni(CO3)(cr)
-#Ni(CO3) = 1.000Ni+2 + 1.000CO3-2
- # log_k
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -713.32 #kJ/mol #05GAM/BUG
- # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-Ni(CO3):5.5H2O(cr)
-Ni(CO3):5.5H2O = 1.000Ni+2 + 1.000CO3-2 + 5.500H2O
- log_k -7.520
- delta_h 10.685 #kJ/mol
- # Enthalpy of formation: -2312.992 #kJ/mol #05GAM/BUG
- -analytic -5.64807E+0 0E+0 -5.58116E+2 0E+0 0E+0
-
-Ni(IO3)2(beta)
-Ni(IO3)2 = 1.000Ni+2 + 2.000IO3-
- log_k -4.430
- delta_h -7.300 #kJ/mol #05GAM/BUG
- # Enthalpy of formation: -487.112 #kJ/mol
- -analytic -5.7089E+0 0E+0 3.81305E+2 0E+0 0E+0
-
-Ni(IO3)2:2H2O(cr)
-Ni(IO3)2:2H2O = 1.000Ni+2 + 2.000IO3- + 2.000H2O
- log_k -5.140
- delta_h 21.600 #kJ/mol #05GAM/BUG
- # Enthalpy of formation: -1087.672 #kJ/mol
- -analytic -1.35585E+0 0E+0 -1.12824E+3 0E+0 0E+0
-
-Ni(OH)2(s)
-Ni(OH)2 = 1.000Ni+2 - 2.000H+ + 2.000H2O
- log_k 11.030
- delta_h -84.390 #kJ/mol
- # Enthalpy of formation: -542.3 #kJ/mol #05GAM/BUG
- -analytic -3.75447E+0 0E+0 4.40799E+3 0E+0 0E+0
-
-Ni(SO4)(cr)
-Ni(SO4) = 1.000Ni+2 + 1.000SO4-2
- log_k 4.750 #05GAM/BUG
- delta_h -91.072 #kJ/mol
- # Enthalpy of formation: -873.28 #kJ/mol #05GAM/BUG
- -analytic -1.12051E+1 0E+0 4.75701E+3 0E+0 0E+0
-
-Ni(SO4):6H2O(s)
-Ni(SO4):6H2O = 1.000Ni+2 + 1.000SO4-2 + 6.000H2O
- log_k -2.250 #05GAM/BUG
- delta_h 4.485 #kJ/mol #05GAM/BUG
- # Enthalpy of formation: -2683.817 #kJ/mol
- -analytic -1.46426E+0 0E+0 -2.34268E+2 0E+0 0E+0
-
-Ni(SO4):7H2O(s)
-Ni(SO4):7H2O = 1.000Ni+2 + 1.000SO4-2 + 7.000H2O
- log_k -2.270 #05GAM/BUG
- delta_h 12.167 #kJ/mol #05GAM/BUG
- # Enthalpy of formation: -2977.329 #kJ/mol
- -analytic -1.38436E-1 0E+0 -6.35526E+2 0E+0 0E+0
-
-Ni(SeO3):2H2O(cr)
-Ni(SeO3):2H2O = 1.000Ni+2 + 1.000SeO3-2 + 2.000H2O
- log_k -5.800 #05OLI/NOL
- delta_h -24.502 #kJ/mol
- # Enthalpy of formation: -1109.33 #kJ/mol #05OLI/NOL
- -analytic -1.00926E+1 0E+0 1.27983E+3 0E+0 0E+0
-
-Ni(SeO4):6H2O(s)
-Ni(SeO4):6H2O = 1.000Ni+2 + 1.000SeO4-2 + 6.000H2O
- log_k -1.381 #05OLI/NOL
- delta_h -3.787 #kJ/mol
- # Enthalpy of formation: -2369.705 #kJ/mol
- -analytic -2.04445E+0 0E+0 1.97808E+2 0E+0 0E+0
-
-#Ni(SiO3)(s)
-#Ni(SiO3) = 1.000Ni+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O
- # log_k
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-Ni(s)
-Ni = 1.000Ni+2 + 1.000H2O - 2.000H+ - 0.500O2
- log_k 51.010
- delta_h -334.775 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #05GAM/BUG
- -analytic -7.63998E+0 0E+0 1.74865E+4 0E+0 0E+0
-
-Ni0.88Se(cr)
-Ni0.88Se = 0.880Ni+2 - 0.760H+ + 1.000HSe- - 0.120H2O + 0.060O2
- log_k -17.919
- delta_h 69.261 #kJ/mol
- # Enthalpy of formation: -69.8 #kJ/mol #05OLI/NOL
- -analytic -5.78489E+0 0E+0 -3.61773E+3 0E+0 0E+0
-
-Ni11As8(cr)
-Ni11As8 = 11.000Ni+2 + 2.000H+ + 8.000AsO4-3 - 1.000H2O - 15.500O2
- log_k 874.760
- delta_h -6493.345 #kJ/mol
- # Enthalpy of formation: -743 #kJ/mol #05GAM/BUG
- -analytic -2.62824E+2 0E+0 3.39171E+5 0E+0 0E+0
-
-Ni2(Pyrophos)(cr)
-Ni2(Pyrophos) = 2.000Ni+2 + 1.000Pyrophos-4
- log_k -9.820
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -9.82E+0 0E+0 0E+0 0E+0 0E+0
-
-Ni3(AsO3)2(s)
-Ni3(AsO3)2 = 3.000Ni+2 + 2.000AsO4-3 - 1.000O2
- log_k 34.500
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.45E+1 0E+0 0E+0 0E+0 0E+0
-
-Ni3(AsO4)2:8H2O(s)
-Ni3(AsO4)2:8H2O = 3.000Ni+2 + 2.000AsO4-3 + 8.000H2O
- log_k -28.100 #05GAM/BUG
- delta_h -48.956 #kJ/mol
- # Enthalpy of formation: -4179 #kJ/mol #05GAM/BUG
- -analytic -3.66767E+1 0E+0 2.55715E+3 0E+0 0E+0
-
-Ni3(PO4)2(cr)
-Ni3(PO4)2 = 3.000Ni+2 - 4.000H+ + 2.000H2(PO4)-
- log_k 10.253
- delta_h -188.236 #kJ/mol
- # Enthalpy of formation: -2582 #kJ/mol #89BAE/McK
- -analytic -2.27245E+1 0E+0 9.83224E+3 0E+0 0E+0
-
-#Ni3O4(s)
-#Ni3O4 = 3.000Ni+2 - 6.000H+ + 3.000H2O + 0.500O2
- # log_k
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -819.308 #kJ/mol
- # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-Ni5As2(cr)
-Ni5As2 = 5.000Ni+2 - 4.000H+ + 2.000AsO4-3 + 2.000H2O - 5.000O2
- log_k 323.170
- delta_h -2317.670 #kJ/mol
- # Enthalpy of formation: -244.66 #kJ/mol #05GAM/BUG
- -analytic -8.28678E+1 0E+0 1.2106E+5 0E+0 0E+0
-
-NiAs(cr)
-NiAs = 1.000Ni+2 + 1.000H+ + 1.000AsO4-3 - 0.500H2O - 1.750O2
- log_k 94.225
- delta_h -708.183 #kJ/mol
- # Enthalpy of formation: -70.82 #kJ/mol #05GAM/BUG
- -analytic -2.98431E+1 0E+0 3.69909E+4 0E+0 0E+0
-
-NiBr2(s)
-NiBr2 = 1.000Ni+2 + 2.000Br-
- log_k 10.170
- delta_h -84.332 #kJ/mol
- # Enthalpy of formation: -213.5 #kJ/mol #05GAM/BUG
- -analytic -4.60431E+0 0E+0 4.40496E+3 0E+0 0E+0
-
-NiCl2(s)
-NiCl2 = 1.000Ni+2 + 2.000Cl-
- log_k 8.670
- delta_h -84.272 #kJ/mol
- # Enthalpy of formation: -304.9 #kJ/mol #05GAM/BUG
- -analytic -6.0938E+0 0E+0 4.40183E+3 0E+0 0E+0
-
-NiCl2:2H2O(s)
-NiCl2:2H2O = 1.000Ni+2 + 2.000Cl- + 2.000H2O
- log_k 4.920
- delta_h -47.461 #kJ/mol
- # Enthalpy of formation: -913.371 #kJ/mol
- -analytic -3.3948E+0 0E+0 2.47906E+3 0E+0 0E+0
-
-NiCl2:4H2O(s)
-NiCl2:4H2O = 1.000Ni+2 + 2.000Cl- + 4.000H2O
- log_k 3.820
- delta_h -18.444 #kJ/mol #05GAM/BUG
- # Enthalpy of formation: -1514.048 #kJ/mol
- -analytic 5.88755E-1 0E+0 9.63396E+2 0E+0 0E+0
-
-NiCl2:6H2O(s)
-NiCl2:6H2O = 1.000Ni+2 + 2.000Cl- + 6.000H2O
- log_k 3.040
- delta_h 0.548 #kJ/mol
- # Enthalpy of formation: -2104.7 #kJ/mol #05GAM/BUG
- -analytic 3.13601E+0 0E+0 -2.8624E+1 0E+0 0E+0
-
-NiF2(s)
-NiF2 = 1.000Ni+2 + 2.000F-
- log_k -0.180
- delta_h -68.412 #kJ/mol
- # Enthalpy of formation: -657.3 #kJ/mol #05GAM/BUG
- -analytic -1.21653E+1 0E+0 3.5734E+3 0E+0 0E+0
-
-NiI2(s)
-NiI2 = 1.000Ni+2 + 2.000I-
- log_k 9.610
- delta_h -72.152 #kJ/mol
- # Enthalpy of formation: -96.42 #kJ/mol #05GAM/BUG
- -analytic -3.03047E+0 0E+0 3.76876E+3 0E+0 0E+0
-
-NiSe2(cr)
-NiSe2 = 1.000Ni+2 + 2.000HSe- - 1.000H2O + 0.500O2
- log_k -69.890
- delta_h 368.851 #kJ/mol
- # Enthalpy of formation: -115.5 #kJ/mol #05OLI/NOL
- -analytic -5.27017E+0 0E+0 -1.92664E+4 0E+0 0E+0
-
-Nontronite-Ca
-Ca0.17Fe1.67Al0.67Si3.66O10(OH)2 = 0.170Ca+2 + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
- log_k -2.830
- delta_h -145.927 #kJ/mol
- # Enthalpy of formation: -4982.32 #kJ/mol #15BLA/VIE
- -analytic -2.83953E+1 0E+0 7.62229E+3 0E+0 0E+0
-
-Nontronite-K
-K0.34Fe1.67Al0.67Si3.66O10(OH)2 = 0.340K+ + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
- log_k -4.000
- delta_h -127.394 #kJ/mol
- # Enthalpy of formation: -4994.27 #kJ/mol #15BLA/VIE
- -analytic -2.63184E+1 0E+0 6.65424E+3 0E+0 0E+0
-
-Nontronite-Mg
-Mg0.17Fe1.67Al0.67Si3.66O10(OH)2 = 0.170Mg+2 + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
- log_k -3.370
- delta_h -147.107 #kJ/mol
- # Enthalpy of formation: -4968.22 #kJ/mol #15BLA/VIE
- -analytic -2.9142E+1 0E+0 7.68392E+3 0E+0 0E+0
-
-Nontronite-Na
-Na0.34Fe1.67Al0.67Si3.66O10(OH)2 = 0.340Na+ + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
- log_k -3.500
- delta_h -136.012 #kJ/mol
- # Enthalpy of formation: -4981.64 #kJ/mol #15BLA/VIE
- -analytic -2.73282E+1 0E+0 7.10439E+3 0E+0 0E+0
-
-Nontronite_Nau-2
-Ca0.247K0.02(Si3.458Al0.542)(Fe1.688Al0.276Mg0.068)O10(OH)2 = 0.247Ca+2 + 0.068Mg+2 + 0.020K+ + 1.688Fe+3 + 0.818Al+3 + 3.458H4(SiO4) - 1.832H2O - 8.168H+
- log_k 1.350
- delta_h -187.521 #kJ/mol
- # Enthalpy of formation: -5035.69 #kJ/mol #13GAI/BLA
- -analytic -3.15022E+1 0E+0 9.79489E+3 0E+0 0E+0
-
-Np(CO3)(OH)(s)
-Np(CO3)(OH) = 1.000Np+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O
- log_k -6.060 #Estimated by correlation with An(III) in function of ionic radii
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -6.06E+0 0E+0 0E+0 0E+0 0E+0
-
-Np(HPO4)2(s)
-Np(HPO4)2 = 1.000Np+4 - 2.000H+ + 2.000H2(PO4)-
- log_k -16.060 #Estimated by correlation with An(III) in function of ionic radii
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.606E+1 0E+0 0E+0 0E+0 0E+0
-
-Np(OH)3(s)
-Np(OH)3 = 1.000Np+3 - 3.000H+ + 3.000H2O
- log_k 18.000 #80ALL/KIP
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.8E+1 0E+0 0E+0 0E+0 0E+0
-
-Np(cr)
-Np = 1.000Np+3 + 1.500H2O - 3.000H+ - 0.750O2
- log_k 154.335
- delta_h -946.829 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #01LEM/FUG
- -analytic -1.1542E+1 0E+0 4.94562E+4 0E+0 0E+0
-
-Np2O5(cr)
-Np2O5 = 2.000NpO2+ - 2.000H+ + 1.000H2O
- log_k 3.700
- delta_h -79.492 #kJ/mol
- # Enthalpy of formation: -2162.7 #kJ/mol #01LEM/FUG
- -analytic -1.02264E+1 0E+0 4.15215E+3 0E+0 0E+0
-
-NpO2(CO3)(s)
-NpO2(CO3) = 1.000NpO2+2 + 1.000CO3-2
- log_k -14.600 #01LEM/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.46E+1 0E+0 0E+0 0E+0 0E+0
-
-NpO2(CO3)2Na3(s)
-NpO2(CO3)2Na3 = 3.000Na+ + 1.000NpO2+ + 2.000CO3-2
- log_k -14.220 #03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.422E+1 0E+0 0E+0 0E+0 0E+0
-
-NpO2(CO3)Na:3.5H2O(s)
-NpO2(CO3)Na:3.5H2O = 1.000Na+ + 1.000NpO2+ + 1.000CO3-2 + 3.500H2O
- log_k -11.000 #03GUI/FAN
- delta_h 30.995 #kJ/mol
- # Enthalpy of formation: -2925.151 #kJ/mol
- -analytic -5.56992E+0 0E+0 -1.61898E+3 0E+0 0E+0
-
-NpO2(NH4)4(CO3)3(s)
-NpO2(NH4)4(CO3)3 = 1.000NpO2+2 + 4.000H+ + 3.000CO3-2 + 4.000NH3
- log_k -26.810 #01LEM/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.681E+1 0E+0 0E+0 0E+0 0E+0
-
-NpO2(s)
-NpO2 = 1.000Np+4 - 4.000H+ + 2.000H2O
- log_k -9.750
- delta_h -53.682 #kJ/mol
- # Enthalpy of formation: -1074 #kJ/mol #01LEM/FUG
- -analytic -1.91547E+1 0E+0 2.804E+3 0E+0 0E+0
-
-NpO2:2H2O(am)
-NpO2:2H2O = 1.000Np+4 - 4.000H+ + 4.000H2O
- log_k -0.700 #03GUI/FAN
- delta_h -81.156 #kJ/mol
- # Enthalpy of formation: -1618.186 #kJ/mol
- -analytic -1.49179E+1 0E+0 4.23907E+3 0E+0 0E+0
-
-NpO2OH(am,aged)
-NpO2OH = 1.000NpO2+ - 1.000H+ + 1.000H2O
- log_k 4.700 #01LEM/FUG
- delta_h -41.111 #kJ/mol
- # Enthalpy of formation: -1222.9 #kJ/mol #01LEM/FUG
- -analytic -2.50233E+0 0E+0 2.14737E+3 0E+0 0E+0
-
-NpO2OH(am,fresh)
-NpO2OH = 1.000NpO2+ - 1.000H+ + 1.000H2O
- log_k 5.300 #01LEM/FUG
- delta_h -41.111 #kJ/mol
- # Enthalpy of formation: -1222.9 #kJ/mol #01LEM/FUG
- -analytic -1.90233E+0 0E+0 2.14737E+3 0E+0 0E+0
-
-NpO3:H2O(cr)
-NpO3:H2O = 1.000NpO2+2 - 2.000H+ + 2.000H2O
- log_k 5.470 #01LEM/FUG
- delta_h -52.240 #kJ/mol
- # Enthalpy of formation: -1380.153 #kJ/mol
- -analytic -3.68204E+0 0E+0 2.72868E+3 0E+0 0E+0
-
-Okenite
-CaSi2O5:2H2O = 1.000Ca+2 - 2.000H+ + 2.000H4(SiO4) - 1.000H2O
- log_k 9.180
- delta_h -44.388 #kJ/mol
- # Enthalpy of formation: -3135.17 #kJ/mol #10BLA/BOU1
- -analytic 1.40357E+0 0E+0 2.31854E+3 0E+0 0E+0
-
-#Olivine
-#Ni2(SiO4) = 2.000Ni+2 - 4.000H+ + 1.000H4(SiO4)
- # log_k
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: -1396 #kJ/mol #05GAM/BUG
- # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-Orpiment
-As2S3 = 9.000H+ + 3.000HS- + 2.000AsO4-3 - 6.000H2O - 1.000O2
- log_k -41.480
- delta_h -6.843 #kJ/mol
- # Enthalpy of formation: -91.223 #kJ/mol
- -analytic -4.26788E+1 0E+0 3.57434E+2 0E+0 0E+0
-
-P(cr)
-P = 1.000H+ + 1.000H2(PO4)- - 1.500H2O - 1.250O2
- log_k 140.515
- delta_h -858.688 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #89COX/WAG
- -analytic -9.92037E+0 0E+0 4.48523E+4 0E+0 0E+0
-
-Pa(cr)
-Pa = 1.000Pa+4 + 2.000H2O - 4.000H+ - 1.000O2
- log_k 184.730
- delta_h -1179.526 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #85BAR/PAR
- -analytic -2.19138E+1 0E+0 6.16108E+4 0E+0 0E+0
-
-Pa2O5(s)
-Pa2O5 = - 2.000H+ + 2.000PaO2+ + 1.000H2O
- log_k -4.000 #76BAE/MES
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4E+0 0E+0 0E+0 0E+0 0E+0
-
-PaO2(s)
-PaO2 = - 4.000H+ + 1.000Pa+4 + 2.000H2O
- log_k 0.600 #76BAE/MES
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6E-1 0E+0 0E+0 0E+0 0E+0
-
-Paragonite
-NaAl3Si3O10(OH)2 = 1.000Na+ + 3.000Al+3 - 10.000H+ + 3.000H4(SiO4)
- log_k 16.800
- delta_h -301.622 #kJ/mol
- # Enthalpy of formation: -5937.5 #kJ/mol #96ROU/HOV
- -analytic -3.60418E+1 0E+0 1.57548E+4 0E+0 0E+0
-
-Paralaurionite
-PbCl(OH) = 1.000Pb+2 - 1.000H+ + 1.000Cl- + 1.000H2O
- log_k 0.620 #99LOT/OCH
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 6.2E-1 0E+0 0E+0 0E+0 0E+0
-
-Pb(H2PO4)2(cr)
-Pb(H2PO4)2 = 1.000Pb+2 + 2.000H2(PO4)-
- log_k -9.840 #74NRI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -9.84E+0 0E+0 0E+0 0E+0 0E+0
-
-Pb(HPO4)(s)
-Pb(HPO4) = 1.000Pb+2 - 1.000H+ + 1.000H2(PO4)-
- log_k -4.250 #74NRI
- delta_h 16.436 #kJ/mol
- # Enthalpy of formation: -1318.116 #kJ/mol
- -analytic -1.37054E+0 0E+0 -8.58511E+2 0E+0 0E+0
-
-Pb(OH)2(s)
-Pb(OH)2 = 1.000Pb+2 - 2.000H+ + 2.000H2O
- log_k 13.510
- delta_h -56.140 #kJ/mol
- # Enthalpy of formation: -514.6 #kJ/mol #52LAT
- -analytic 3.67471E+0 0E+0 2.93239E+3 0E+0 0E+0
-
-Pb(SeO3)(s)
-Pb(SeO3) = 1.000Pb+2 + 1.000SeO3-2
- log_k -12.500 #05OLI/NOL
- delta_h 25.840 #kJ/mol
- # Enthalpy of formation: -532.08 #kJ/mol #05OLI/NOL
- -analytic -7.97303E+0 0E+0 -1.34972E+3 0E+0 0E+0
-
-Pb(SeO4)(s)
-Pb(SeO4) = 1.000Pb+2 + 1.000SeO4-2
- log_k -6.900 #05OLI/NOL
- delta_h 4.720 #kJ/mol #05OLI/NOL
- # Enthalpy of formation: -607.3 #kJ/mol
- -analytic -6.07309E+0 0E+0 -2.46542E+2 0E+0 0E+0
-
-Pb(cr)
-Pb = 1.000Pb+2 + 1.000H2O - 2.000H+ - 0.500O2
- log_k 47.240
- delta_h -278.843 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #89COX/WAG
- -analytic -1.61112E+0 0E+0 1.4565E+4 0E+0 0E+0
-
-Pb2(SiO4)(s)
-Pb2(SiO4) = 2.000Pb+2 - 4.000H+ + 1.000H4(SiO4)
- log_k 15.890
- delta_h -81.474 #kJ/mol
- # Enthalpy of formation: -1377.88 #kJ/mol #98CHA
- -analytic 1.61639E+0 0E+0 4.25568E+3 0E+0 0E+0
-
-Pb3(AsO4)2(s)
-Pb3(AsO4)2 = 3.000Pb+2 + 2.000AsO4-3
- log_k -35.400 #74NAU/RYZ
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.54E+1 0E+0 0E+0 0E+0 0E+0
-
-Pb3(PO4)2(s)
-Pb3(PO4)2 = 3.000Pb+2 - 4.000H+ + 2.000H2(PO4)-
- log_k -5.260 #74NRI
- delta_h -3.548 #kJ/mol
- # Enthalpy of formation: -2598.892 #kJ/mol
- -analytic -5.88158E+0 0E+0 1.85325E+2 0E+0 0E+0
-
-Pb4O(PO4)2(cr)
-Pb4O(PO4)2 = 4.000Pb+2 - 6.000H+ + 2.000H2(PO4)- + 1.000H2O
- log_k 2.240 #74NRI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.24E+0 0E+0 0E+0 0E+0 0E+0
-
-PbB2O4(s)
-PbB2O4 = 1.000Pb+2 + 2.000B(OH)4- - 4.000H2O
- log_k -10.870 #91BAL/NOR
- delta_h 2.761 #kJ/mol #91BAL/NOR
- # Enthalpy of formation: -1548.753 #kJ/mol
- -analytic -1.03863E+1 0E+0 -1.44217E+2 0E+0 0E+0
-
-PbF2(s)
-PbF2 = 1.000Pb+2 + 2.000F-
- log_k -7.520 #99LOT/OCH
- delta_h 6.530 #kJ/mol
- # Enthalpy of formation: -676.31 #kJ/mol
- -analytic -6.37599E+0 0E+0 -3.41085E+2 0E+0 0E+0
-
-PbI2(cr)
-PbI2 = 1.000Pb+2 + 2.000I-
- log_k -8.050
- delta_h 62.801 #kJ/mol
- # Enthalpy of formation: -175.441 #kJ/mol
- -analytic 2.95225E+0 0E+0 -3.28032E+3 0E+0 0E+0
-
-PbMoO4(s)
-PbMoO4 = 1.000Pb+2 + 1.000MoO4-2
- log_k -15.800
- delta_h 55.795 #kJ/mol
- # Enthalpy of formation: -1051.875 #kJ/mol
- -analytic -6.02515E+0 0E+0 -2.91437E+3 0E+0 0E+0
-
-PbSiO3(Glass)
-PbSiO3 = 1.000Pb+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O
- log_k 6.600
- delta_h -36.814 #kJ/mol
- # Enthalpy of formation: -1137.63 #kJ/mol #74NAU/RYZ
- -analytic 1.50474E-1 0E+0 1.92293E+3 0E+0 0E+0
-
-Pd(OH)2(s)
-Pd(OH)2 = - 2.000H+ + 1.000Pd+2 + 2.000H2O
- log_k -1.610 #70NAB/KAL
- delta_h 13.223 #kJ/mol
- # Enthalpy of formation: -395 #kJ/mol #82WAG/EVA
- -analytic 7.06567E-1 0E+0 -6.90684E+2 0E+0 0E+0
-
-Pd(cr)
-Pd = 1.000Pd+2 + 1.000H2O - 2.000H+ - 0.500O2
- log_k 9.960 #43TEM/WAT
- delta_h -89.880 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol
- -analytic -5.78628E+0 0E+0 4.69475E+3 0E+0 0E+0
-
-PdBr2(cr)
-PdBr2 = 1.000Pd+2 + 2.000Br-
- log_k -13.310 #89BAE/McK
- delta_h 51.263 #kJ/mol
- # Enthalpy of formation: -104.2 #kJ/mol #89BAE/McK
- -analytic -4.32912E+0 0E+0 -2.67765E+3 0E+0 0E+0
-
-PdCl2(cr)
-PdCl2 = 1.000Pd+2 + 2.000Cl-
- log_k -9.200
- delta_h 54.423 #kJ/mol
- # Enthalpy of formation: -198.7 #kJ/mol #82WAG/EVA
- -analytic 3.34486E-1 0E+0 -2.84271E+3 0E+0 0E+0
-
-PdI2(cr)
-PdI2 = 1.000Pd+2 + 2.000I-
- log_k -25.870
- delta_h 139.923 #kJ/mol
- # Enthalpy of formation: -63.6 #kJ/mol #89BAE/McK
- -analytic -1.35658E+0 0E+0 -7.30868E+3 0E+0 0E+0
-
-PdO(s)
-PdO = - 2.000H+ + 1.000Pd+2 + 1.000H2O
- log_k -6.020
- delta_h -10.547 #kJ/mol
- # Enthalpy of formation: -85.4 #kJ/mol #82WAG/EVA
- -analytic -7.86775E+0 0E+0 5.50907E+2 0E+0 0E+0
-
-PdS(s)
-PdS = - 1.000H+ + 1.000Pd+2 + 1.000HS-
- log_k -46.860
- delta_h 244.293 #kJ/mol
- # Enthalpy of formation: -70.71 #kJ/mol #74MIL
- -analytic -4.06177E+0 0E+0 -1.27603E+4 0E+0 0E+0
-
-PdSe(s)
-PdSe = - 1.000H+ + 1.000Pd+2 + 1.000HSe-
- log_k -49.110
- delta_h 254.463 #kJ/mol
- # Enthalpy of formation: -50.28 #kJ/mol #74MIL
- -analytic -4.53006E+0 0E+0 -1.32915E+4 0E+0 0E+0
-
-Pentahydrite
-MgSO4:5H2O = 1.000Mg+2 + 1.000SO4-2 + 5.000H2O
- log_k -1.280 #80HAR/WEA
- delta_h -14.187 #kJ/mol
- # Enthalpy of formation: -2791.303 #kJ/mol
- -analytic -3.76545E+0 0E+0 7.41038E+2 0E+0 0E+0
-
-Periclase
-MgO = 1.000Mg+2 - 2.000H+ + 1.000H2O
- log_k 21.580
- delta_h -151.230 #kJ/mol
- # Enthalpy of formation: -601.6 #kJ/mol #89COX/WAG
- -analytic -4.91432E+0 0E+0 7.89928E+3 0E+0 0E+0
-
-Phillipsite_Ca
-Ca0.5AlSi3O8:3H2O = 0.500Ca+2 + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 1.000H2O
- log_k 2.320 #09BLA
- delta_h -83.630 #kJ/mol
- # Enthalpy of formation: -4824.022 #kJ/mol
- -analytic -1.23313E+1 0E+0 4.36829E+3 0E+0 0E+0
-
-Phillipsite_K
-KAlSi3O8:3H2O = 1.000K+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 1.000H2O
- log_k 0.040 #09BLA
- delta_h -46.433 #kJ/mol
- # Enthalpy of formation: -4841.859 #kJ/mol
- -analytic -8.0947E+0 0E+0 2.42536E+3 0E+0 0E+0
-
-Phillipsite_Na
-NaAlSi3O8:3H2O = 1.000Na+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 1.000H2O
- log_k 1.450 #09BLA
- delta_h -64.815 #kJ/mol
- # Enthalpy of formation: -4811.677 #kJ/mol
- -analytic -9.90508E+0 0E+0 3.38552E+3 0E+0 0E+0
-
-Phlogopite_K
-KMg3Si3AlO10(OH)2 = 3.000Mg+2 + 1.000K+ + 1.000Al+3 - 10.000H+ + 3.000H4(SiO4)
- log_k 41.100
- delta_h -360.122 #kJ/mol
- # Enthalpy of formation: -6215 #kJ/mol #92CIR/NAV
- -analytic -2.19906E+1 0E+0 1.88105E+4 0E+0 0E+0
-
-Phlogopite_Na
-NaMg3AlSi3O10(OH)2 = 3.000Mg+2 + 1.000Na+ + 1.000Al+3 - 10.000H+ + 3.000H4(SiO4)
- log_k 44.200
- delta_h -391.182 #kJ/mol
- # Enthalpy of formation: -6172.14 #kJ/mol #98HOL/POW
- -analytic -2.4332E+1 0E+0 2.04328E+4 0E+0 0E+0
-
-Phosgenite
-Pb2(CO3)Cl2 = 2.000Pb+2 + 1.000CO3-2 + 2.000Cl-
- log_k 19.900 #74NAU/RYZ
- delta_h -163.291 #kJ/mol
- # Enthalpy of formation: -844.259 #kJ/mol
- -analytic -8.70731E+0 0E+0 8.52927E+3 0E+0 0E+0
-
-Picromerite
-K2Mg(SO4)2:6H2O = 1.000Mg+2 + 2.000K+ + 2.000SO4-2 + 6.000H2O
- log_k -4.330 #84HAR/MOL
- delta_h 33.487 #kJ/mol
- # Enthalpy of formation: -4538.427 #kJ/mol #74NAU/RYZ
- -analytic 1.53666E+0 0E+0 -1.74915E+3 0E+0 0E+0
-
-Pirssonite
-Na2Ca(CO3)2:2H2O = 1.000Ca+2 + 2.000Na+ + 2.000CO3-2 + 2.000H2O
- log_k -8.910 #99KON/KON
- delta_h 9.580 #kJ/mol
- # Enthalpy of formation: -2955.38 #kJ/mol
- -analytic -7.23166E+0 0E+0 -5.00398E+2 0E+0 0E+0
-
-Plattnerite
-PbO2 = 1.000Pb+2 - 2.000H+ + 1.000H2O + 0.500O2
- log_k 6.610
- delta_h -16.507 #kJ/mol
- # Enthalpy of formation: -274.47 #kJ/mol #98CHA
- -analytic 3.7181E+0 0E+0 8.62219E+2 0E+0 0E+0
-
-Plumbogummite
-PbAl3(PO4)2(OH)5:H2O = 1.000Pb+2 + 3.000Al+3 - 9.000H+ + 2.000H2(PO4)- + 6.000H2O
- log_k 13.240 #74NRI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.324E+1 0E+0 0E+0 0E+0 0E+0
-
-Plumbonacrite
-Pb10(CO3)6O(OH)6 = 10.000Pb+2 - 8.000H+ + 6.000CO3-2 + 7.000H2O
- log_k -42.090
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.209E+1 0E+0 0E+0 0E+0 0E+0
-
-Polydymite
-Ni3S4 = 3.000Ni+2 - 2.000H+ + 4.000HS- - 1.000H2O + 0.500O2
- log_k -82.260
- delta_h 375.879 #kJ/mol
- # Enthalpy of formation: -326.352 #kJ/mol #74MIL
- -analytic -1.64089E+1 0E+0 -1.96335E+4 0E+0 0E+0
-
-Polyhalite
-K2MgCa2(SO4)4:2H2O = 2.000Ca+2 + 1.000Mg+2 + 2.000K+ + 4.000SO4-2 + 2.000H2O
- log_k -13.740 #84HAR/MOL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.374E+1 0E+0 0E+0 0E+0 0E+0
-
-Portlandite
-Ca(OH)2 = 1.000Ca+2 - 2.000H+ + 2.000H2O
- log_k 22.810 #10BLA/BOU1
- delta_h -130.078 #kJ/mol
- # Enthalpy of formation: -984.582 #kJ/mol
- -analytic 2.13461E-2 0E+0 6.79444E+3 0E+0 0E+0
-
-Pu(CO3)(OH)(s)
-Pu(CO3)(OH) = 1.000Pu+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O
- log_k -5.740 #Estimated by correlation with An(III) in function of ionic radii
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -5.74E+0 0E+0 0E+0 0E+0 0E+0
-
-Pu(HPO4)2(am,hyd)
-Pu(HPO4)2 = 1.000Pu+4 - 2.000H+ + 2.000H2(PO4)-
- log_k -16.030 #01LEM/FUG
- delta_h -32.718 #kJ/mol
- # Enthalpy of formation: -3112.377 #kJ/mol
- -analytic -2.17619E+1 0E+0 1.70898E+3 0E+0 0E+0
-
-Pu(OH)3(cr)
-Pu(OH)3 = 1.000Pu+3 - 3.000H+ + 3.000H2O
- log_k 15.800 #01LEM/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.58E+1 0E+0 0E+0 0E+0 0E+0
-
-Pu(OH)4(am)
-Pu(OH)4 = 1.000Pu+4 - 4.000H+ + 4.000H2O
- log_k -0.800 #89LEM/GAR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -8E-1 0E+0 0E+0 0E+0 0E+0
-
-Pu(PO4)(s,hyd)
-Pu(PO4) = 1.000Pu+3 - 2.000H+ + 1.000H2(PO4)-
- log_k -5.040 #01LEM/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -5.04E+0 0E+0 0E+0 0E+0 0E+0
-
-Pu(cr)
-Pu = 1.000Pu+3 + 1.500H2O - 3.000H+ - 0.750O2
- log_k 165.915
- delta_h -1011.435 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #01LEM/FUG
- -analytic -1.12805E+1 0E+0 5.28308E+4 0E+0 0E+0
-
-Pu2O3(s)
-Pu2O3 = 2.000Pu+3 - 6.000H+ + 3.000H2O
- log_k 50.630
- delta_h -385.070 #kJ/mol
- # Enthalpy of formation: -1656 #kJ/mol #01LEM/FUG
- -analytic -1.68313E+1 0E+0 2.01136E+4 0E+0 0E+0
-
-PuAs(s)
-PuAs = 1.000AsO4-3 + 1.000PuO2+2 - 0.500H2O + 1.000H+ - 2.750O2
- log_k 192.005
- delta_h -1293.893 #kJ/mol
- # Enthalpy of formation: -240 #kJ/mol #01LEM/FUG
- -analytic -3.46749E+1 0E+0 6.75846E+4 0E+0 0E+0
-
-PuF4(s)
-PuF4 = 1.000Pu+4 + 4.000F-
- log_k -26.070 #01LEM/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.607E+1 0E+0 0E+0 0E+0 0E+0
-
-PuO2(CO3)(s)
-PuO2(CO3) = 1.000PuO2+2 + 1.000CO3-2
- log_k -14.650 #03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.465E+1 0E+0 0E+0 0E+0 0E+0
-
-PuO2(OH)(s)
-PuO2(OH) = 1.000PuO2+ - 1.000H+ + 1.000H2O
- log_k 5.000 #01LEM/FUG
- delta_h -36.164 #kJ/mol
- # Enthalpy of formation: -1159.793 #kJ/mol
- -analytic -1.33565E+0 0E+0 1.88897E+3 0E+0 0E+0
-
-PuO2(OH)2:H2O(s)
-PuO2(OH)2:H2O = 1.000PuO2+2 - 2.000H+ + 3.000H2O
- log_k 5.500 #01LEM/FUG
- delta_h -46.718 #kJ/mol
- # Enthalpy of formation: -1632.808 #kJ/mol
- -analytic -2.68463E+0 0E+0 2.44025E+3 0E+0 0E+0
-
-PuO2(Ox):3H2O(s)
-PuO2(Ox):3H2O = 1.000PuO2+2 + 1.000Ox-2 + 3.000H2O
- log_k -10.000 #05HUM/AND
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1E+1 0E+0 0E+0 0E+0 0E+0
-
-PuO2(coll,hyd)
-PuO2 = 1.000Pu+4 - 4.000H+ + 2.000H2O
- log_k 0.200 #07NEC/ALT3
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2E-1 0E+0 0E+0 0E+0 0E+0
-
-PuO2(s)
-PuO2 = 1.000Pu+4 - 4.000H+ + 2.000H2O
- log_k -8.030
- delta_h -55.755 #kJ/mol
- # Enthalpy of formation: -1055.8 #kJ/mol #01LEM/FUG
- -analytic -1.77978E+1 0E+0 2.91228E+3 0E+0 0E+0
-
-PuO2:2H2O(am)
-PuO2:2H2O = 1.000Pu+4 - 4.000H+ + 4.000H2O
- log_k -2.370 #03GUI/FAN
- delta_h -58.548 #kJ/mol
- # Enthalpy of formation: -1624.667 #kJ/mol
- -analytic -1.26272E+1 0E+0 3.05817E+3 0E+0 0E+0
-
-Pyrite
-FeS2 = 1.000Fe+2 + 2.000HS- - 1.000H2O + 0.500O2
- log_k -58.780
- delta_h 324.813 #kJ/mol
- # Enthalpy of formation: -167.65 #kJ/mol #76RAU in 04CHI
- -analytic -1.87529E+0 0E+0 -1.69661E+4 0E+0 0E+0
-
-Pyrochroite
-Mn(OH)2 = 1.000Mn+2 - 2.000H+ + 2.000H2O
- log_k 15.300 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.53E+1 0E+0 0E+0 0E+0 0E+0
-
-Pyromorphite
-Pb5Cl(PO4)3 = 5.000Pb+2 - 6.000H+ + 1.000Cl- + 3.000H2(PO4)-
- log_k -25.750 #74NRI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.575E+1 0E+0 0E+0 0E+0 0E+0
-
-Pyromorphite-Br
-Pb5Br(PO4)3 = 5.000Pb+2 - 6.000H+ + 1.000Br- + 3.000H2(PO4)-
- log_k -19.450 #74NRI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.945E+1 0E+0 0E+0 0E+0 0E+0
-
-Pyromorphite-F
-Pb5F(PO4)3 = 5.000Pb+2 - 6.000H+ + 1.000F- + 3.000H2(PO4)-
- log_k -13.100 #74NRI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.31E+1 0E+0 0E+0 0E+0 0E+0
-
-Pyromorphite-OH
-Pb5(OH)(PO4)3 = 5.000Pb+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O
- log_k -4.150 #74NRI
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -4.15E+0 0E+0 0E+0 0E+0 0E+0
-
-Pyrophyllite
-Al2Si4O10(OH)2 = 2.000Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
- log_k -0.420
- delta_h -138.256 #kJ/mol
- # Enthalpy of formation: -5640 #kJ/mol #95ROB/HEM
- -analytic -2.46414E+1 0E+0 7.2216E+3 0E+0 0E+0
-
-Pyrrhotite
-Fe0.87S = 0.870Fe+2 - 0.740H+ + 1.000HS- - 0.130H2O + 0.065O2
- log_k -11.179
- delta_h 38.819 #kJ/mol
- # Enthalpy of formation: -97.5 #kJ/mol #95ROB/HEM
- -analytic -4.37788E+0 0E+0 -2.02766E+3 0E+0 0E+0
-
-Quartz
-SiO2 = 1.000H4(SiO4) - 2.000H2O
- log_k -3.740
- delta_h 21.166 #kJ/mol
- # Enthalpy of formation: -910.7 #kJ/mol #82RIC/BOT
- -analytic -3.18814E-2 0E+0 -1.10558E+3 0E+0 0E+0
-
-Ra(CO3)(s)
-Ra(CO3) = 1.000Ra+2 + 1.000CO3-2
- log_k -8.300 #85LAN/RIE
- delta_h 13.390 #kJ/mol
- # Enthalpy of formation: -1216.646 #kJ/mol
- -analytic -5.95418E+0 0E+0 -6.99407E+2 0E+0 0E+0
-
-Ra(NO3)2(s)
-Ra(NO3)2 = 1.000Ra+2 + 2.000NO3-
- log_k -2.210
- delta_h 49.980 #kJ/mol
- # Enthalpy of formation: -991.706 #kJ/mol
- -analytic 6.54611E+0 0E+0 -2.61063E+3 0E+0 0E+0
-
-Ra(OH)2(s)
-Ra(OH)2 = - 2.000H+ + 1.000Ra+2 + 2.000H2O
- log_k 30.990
- delta_h -149.763 #kJ/mol
- # Enthalpy of formation: -949.923 #kJ/mol
- -analytic 4.75269E+0 0E+0 7.82265E+3 0E+0 0E+0
-
-Ra(SO4)(s)
-Ra(SO4) = 1.000Ra+2 + 1.000SO4-2
- log_k -10.260 #99SCH, 85LAN/RIE
- delta_h 38.910 #kJ/mol
- # Enthalpy of formation: -1476.275 #kJ/mol
- -analytic -3.44327E+0 0E+0 -2.03241E+3 0E+0 0E+0
-
-Ra(cr)
-Ra = 1.000Ra+2 + 1.000H2O - 2.000H+ - 0.500O2
- log_k 141.430
- delta_h -807.788 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA
- -analytic -8.81751E-2 0E+0 4.21936E+4 0E+0 0E+0
-
-RaCl2:2H2O(s)
-RaCl2:2H2O = 1.000Ra+2 + 2.000Cl- + 2.000H2O
- log_k -0.730
- delta_h 32.220 #kJ/mol
- # Enthalpy of formation: -1466.065 #kJ/mol
- -analytic 4.91469E+0 0E+0 -1.68297E+3 0E+0 0E+0
-
-Rb(s)
-Rb = 1.000Rb+ + 0.500H2O - 1.000H+ - 0.250O2
- log_k 71.255
- delta_h -391.002 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG
- -analytic 2.75458E+0 0E+0 2.04234E+4 0E+0 0E+0
-
-Rb2MoO4(s)
-Rb2MoO4 = 1.000MoO4-2 + 2.000Rb+
- log_k 3.100
- delta_h -5.391 #kJ/mol
- # Enthalpy of formation: -1493.849 #kJ/mol
- -analytic 2.15554E+0 0E+0 2.81591E+2 0E+0 0E+0
-
-Realgar
-AsS = 4.000H+ + 1.000HS- + 1.000AsO4-3 - 2.500H2O - 0.750O2
- log_k -2.575
- delta_h -109.359 #kJ/mol
- # Enthalpy of formation: -71.406 #kJ/mol
- -analytic -2.17338E+1 0E+0 5.71218E+3 0E+0 0E+0
-
-Rhodochrosite
-Mn(CO3) = 1.000Mn+2 + 1.000CO3-2
- log_k -11.130 #92PEA/BER
- delta_h -5.899 #kJ/mol
- # Enthalpy of formation: -890.081 #kJ/mol
- -analytic -1.21635E+1 0E+0 3.08126E+2 0E+0 0E+0
-
-Rhodochrosite(syn)
-Mn(CO3) = 1.000Mn+2 + 1.000CO3-2
- log_k -10.520
- delta_h -6.792 #kJ/mol
- # Enthalpy of formation: -889.188 #kJ/mol #92JOH
- -analytic -1.17099E+1 0E+0 3.5477E+2 0E+0 0E+0
-
-Ripidolite_Cca-2
-(Mg2.964Fe1.712Fe0.215Al1.116Ca0.011)(Si2.633Al1.367)O10(OH)8 = 0.011Ca+2 + 2.964Mg+2 + 0.215Fe+3 + 1.712Fe+2 + 2.483Al+3 - 17.468H+ + 2.633H4(SiO4) + 7.468H2O
- log_k 61.350
- delta_h -633.385 #kJ/mol
- # Enthalpy of formation: -8240.14 #kJ/mol #13BLA/GAI2
- -analytic -4.96141E+1 0E+0 3.3084E+4 0E+0 0E+0
-
-Romarchite
-SnO = 1.000Sn+2 - 2.000H+ + 1.000H2O
- log_k 1.590
- delta_h -11.207 #kJ/mol
- # Enthalpy of formation: -284.24 #kJ/mol #12GAM/GAJ
- -analytic -3.73379E-1 0E+0 5.85382E+2 0E+0 0E+0
-
-Rutherfordine
-(UO2)(CO3) = 1.000UO2+2 + 1.000CO3-2
- log_k -14.760 #03GUI/FAN
- delta_h -2.929 #kJ/mol
- # Enthalpy of formation: -1691.301 #kJ/mol
- -analytic -1.52731E+1 0E+0 1.52992E+2 0E+0 0E+0
-
-S(cr)
-S = 1.000H+ + 1.000HS- - 1.000H2O + 0.500O2
- log_k -45.130
- delta_h 263.463 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #89COX/WAG
- -analytic 1.02667E+0 0E+0 -1.37616E+4 0E+0 0E+0
-
-Sacchite
-MnCl2 = 1.000Mn+2 + 2.000Cl-
- log_k 8.770 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.77E+0 0E+0 0E+0 0E+0 0E+0
-
-Sanidine
-KAlSi3O8 = 1.000K+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 4.000H2O
- log_k 0.580
- delta_h -65.073 #kJ/mol
- # Enthalpy of formation: -3965.73 #kJ/mol #99ARN/STE
- -analytic -1.08203E+1 0E+0 3.39899E+3 0E+0 0E+0
-
-Saponite-Ca
-Ca0.17Mg3Al0.34Si3.66O10(OH)2 = 0.170Ca+2 + 3.000Mg+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
- log_k 29.340
- delta_h -271.305 #kJ/mol
- # Enthalpy of formation: -5998.44 #kJ/mol #15BLA/VIE
- -analytic -1.81905E+1 0E+0 1.41712E+4 0E+0 0E+0
-
-Saponite-FeCa
-Ca0.17Mg2FeAl0.34Si3.66O10(OH)2 = 0.170Ca+2 + 2.000Mg+2 + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
- log_k 26.550
- delta_h -259.175 #kJ/mol
- # Enthalpy of formation: -5633.57 #kJ/mol #15BLA/VIE
- -analytic -1.88554E+1 0E+0 1.35376E+4 0E+0 0E+0
-
-Saponite-FeK
-K0.34Mg2FeAl0.34Si3.66O10(OH)2 = 2.000Mg+2 + 0.340K+ + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
- log_k 25.380
- delta_h -240.632 #kJ/mol
- # Enthalpy of formation: -5645.53 #kJ/mol #15BLA/VIE
- -analytic -1.67769E+1 0E+0 1.25691E+4 0E+0 0E+0
-
-Saponite-FeMg
-Mg0.17Mg2FeAl0.34Si3.66O10(OH)2 = 2.170Mg+2 + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
- log_k 26.000
- delta_h -260.345 #kJ/mol
- # Enthalpy of formation: -5619.48 #kJ/mol #15BLA/VIE
- -analytic -1.96104E+1 0E+0 1.35987E+4 0E+0 0E+0
-
-Saponite-FeNa
-Na0.34Mg2FeAl0.34Si3.66O10(OH)2 = 2.000Mg+2 + 0.340Na+ + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
- log_k 25.700
- delta_h -248.260 #kJ/mol
- # Enthalpy of formation: -5633.89 #kJ/mol #15BLA/VIE
- -analytic -1.77932E+1 0E+0 1.29675E+4 0E+0 0E+0
-
-Saponite-K
-K0.34Mg3Al0.34Si3.66O10(OH)2 = 3.000Mg+2 + 0.340K+ + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
- log_k 28.170
- delta_h -252.772 #kJ/mol
- # Enthalpy of formation: -6010.39 #kJ/mol #15BLA/VIE
- -analytic -1.61137E+1 0E+0 1.32032E+4 0E+0 0E+0
-
-Saponite-Mg
-Mg0.17Mg3Al0.34Si3.66O10(OH)2 = 3.170Mg+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
- log_k 28.790
- delta_h -272.485 #kJ/mol
- # Enthalpy of formation: -5984.34 #kJ/mol #15BLA/VIE
- -analytic -1.89473E+1 0E+0 1.42329E+4 0E+0 0E+0
-
-Saponite-Na
-Na0.34Mg3Al0.34Si3.66O10(OH)2 = 3.000Mg+2 + 0.340Na+ + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
- log_k 28.670
- delta_h -261.390 #kJ/mol
- # Enthalpy of formation: -5997.76 #kJ/mol #15BLA/VIE
- -analytic -1.71235E+1 0E+0 1.36533E+4 0E+0 0E+0
-
-Saponite_SapCa
-(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2 = 0.038Ca+2 + 2.949Mg+2 + 0.021K+ + 0.394Na+ + 0.034Fe+3 + 0.021Fe+2 + 0.397Al+3 - 7.724H+ + 3.569H4(SiO4) - 2.276H2O
- log_k 31.470
- delta_h -285.499 #kJ/mol
- # Enthalpy of formation: -5994.06 #kJ/mol #13GAI/BLA
- -analytic -1.85472E+1 0E+0 1.49126E+4 0E+0 0E+0
-
-Saponite_SapCa(4.151H2O)
-(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2:4.151H2O = 0.038Ca+2 + 2.949Mg+2 + 0.021K+ + 0.394Na+ + 0.034Fe+3 + 0.021Fe+2 + 0.397Al+3 - 7.724H+ + 3.569H4(SiO4) + 1.875H2O
- log_k 28.300
- delta_h -255.590 #kJ/mol
- # Enthalpy of formation: -7210.45 #kJ/mol #09GAI
- -analytic -1.64774E+1 0E+0 1.33504E+4 0E+0 0E+0
-
-Sb(cr)
-Sb = 1.000Sb(OH)3 - 1.500H2O - 0.750O2
- log_k 52.815
- delta_h -336.045 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol
- -analytic -6.05738E+0 0E+0 1.75528E+4 0E+0 0E+0
-
-Sb2O5(s)
-Sb2O5 = 2.000Sb(OH)5 - 5.000H2O
- log_k -7.400 #48TOU/MOU in 76BAE/MES
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -7.4E+0 0E+0 0E+0 0E+0 0E+0
-
-Schoepite
-UO3:2H2O = 1.000UO2+2 - 2.000H+ + 3.000H2O
- log_k 5.960 #91SAN/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5.96E+0 0E+0 0E+0 0E+0 0E+0
-
-Schoepite(des)
-UO3:0.9H2O = 1.000UO2+2 - 2.000H+ + 1.900H2O
- log_k 5.000
- delta_h -55.777 #kJ/mol
- # Enthalpy of formation: -1506.3 #kJ/mol #92GRE/FUG
- -analytic -4.7717E+0 0E+0 2.91343E+3 0E+0 0E+0
-
-Scolecite
-CaAl2Si3O10:3H2O = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 3.000H4(SiO4) + 1.000H2O
- log_k 16.650
- delta_h -240.212 #kJ/mol
- # Enthalpy of formation: -6049 #kJ/mol #83JOH/FLO
- -analytic -2.54333E+1 0E+0 1.25471E+4 0E+0 0E+0
-
-Se(s)
-Se = 1.000H+ + 1.000HSe- - 1.000H2O + 0.500O2
- log_k -50.610
- delta_h 294.063 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG
- -analytic 9.07551E-1 0E+0 -1.536E+4 0E+0 0E+0
-
-Se3U(cr)
-Se3U = 1.000UO2+2 + 1.000H+ + 3.000HSe- - 2.000H2O
- log_k -18.270
- delta_h 47.560 #kJ/mol
- # Enthalpy of formation: -452 #kJ/mol #92GRE/FUG
- -analytic -9.93786E+0 0E+0 -2.48423E+3 0E+0 0E+0
-
-SeO3(cr)
-SeO3 = 2.000H+ + 1.000SeO4-2 - 1.000H2O
- log_k 20.360
- delta_h -154.570 #kJ/mol
- # Enthalpy of formation: -163.1 #kJ/mol #05OLI/NOL
- -analytic -6.71946E+0 0E+0 8.07374E+3 0E+0 0E+0
-
-SeU(cr)
-SeU = 1.000U+4 - 3.000H+ + 1.000HSe- + 1.000H2O - 0.500O2
- log_k 80.330
- delta_h -584.663 #kJ/mol
- # Enthalpy of formation: -272 #kJ/mol #05OLI/NOL
- -analytic -2.20984E+1 0E+0 3.0539E+4 0E+0 0E+0
-
-Si(cr)
-Si = 1.000H4(SiO4) - 2.000H2O - 1.000O2
- log_k 149.170
- delta_h -877.400 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #89COX/WAG
- -analytic -4.54366E+0 0E+0 4.58297E+4 0E+0 0E+0
-
-SiO2(am)
-SiO2 = 1.000H4(SiO4) - 2.000H2O
- log_k -2.710 #00GUN/ARN
- delta_h 13.522 #kJ/mol
- # Enthalpy of formation: -903.056 #kJ/mol
- -analytic -3.41051E-1 0E+0 -7.06302E+2 0E+0 0E+0
-
-Siderite
-Fe(CO3) = 1.000Fe+2 + 1.000CO3-2
- log_k -10.800 #92BRU/WER
- delta_h -12.012 #kJ/mol
- # Enthalpy of formation: -753.218 #kJ/mol
- -analytic -1.29044E+1 0E+0 6.2743E+2 0E+0 0E+0
-
-Siderophyllite
-KFe2Al3Si2O10(OH)2 = 1.000K+ + 2.000Fe+2 + 3.000Al+3 - 14.000H+ + 2.000H4(SiO4) + 4.000H2O
- log_k 40.570
- delta_h -484.778 #kJ/mol
- # Enthalpy of formation: -5628.27 #kJ/mol #90HOL/POW
- -analytic -4.43593E+1 0E+0 2.53217E+4 0E+0 0E+0
-
-Sm(OH)3(am)
-Sm(OH)3 = 1.000Sm+3 - 3.000H+ + 3.000H2O
- log_k 17.850 #98DIA/RAG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.785E+1 0E+0 0E+0 0E+0 0E+0
-
-Sm(OH)3(s)
-Sm(OH)3 = 1.000Sm+3 - 3.000H+ + 3.000H2O
- log_k 16.130 #98DIA/RAG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.613E+1 0E+0 0E+0 0E+0 0E+0
-
-Sm(cr)
-Sm = 1.000Sm+3 + 1.500H2O - 3.000H+ - 0.750O2
- log_k 181.105
- delta_h -1110.844 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #79ROB/HEM
- -analytic -1.35061E+1 0E+0 5.80233E+4 0E+0 0E+0
-
-Sm2(CO3)3(s)
-Sm2(CO3)3 = 2.000Sm+3 + 3.000CO3-2
- log_k -34.500 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.45E+1 0E+0 0E+0 0E+0 0E+0
-
-Sm2(SO4)3(s)
-Sm2(SO4)3 = 2.000Sm+3 + 3.000SO4-2
- log_k -9.800 #95SPA/BRU
- delta_h -211.318 #kJ/mol
- # Enthalpy of formation: -3899.1 #kJ/mol #82WAG/EVA
- -analytic -4.68213E+1 0E+0 1.10379E+4 0E+0 0E+0
-
-Sm2O3(s)
-Sm2O3 = 2.000Sm+3 - 6.000H+ + 3.000H2O
- log_k 43.110
- delta_h -355.039 #kJ/mol
- # Enthalpy of formation: -1884.849 #kJ/mol
- -analytic -1.90901E+1 0E+0 1.8545E+4 0E+0 0E+0
-
-SmCl3:6H2O(s)
-SmCl3:6H2O = 1.000Sm+3 + 3.000Cl- + 6.000H2O
- log_k 4.800 #96FAL/REA
- delta_h -38.311 #kJ/mol
- # Enthalpy of formation: -2869.108 #kJ/mol
- -analytic -1.91179E+0 0E+0 2.00112E+3 0E+0 0E+0
-
-SmF3:0.5H2O(s)
-SmF3:0.5H2O = 1.000Sm+3 + 3.000F- + 0.500H2O
- log_k -17.500 #95SPA/BRU
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.75E+1 0E+0 0E+0 0E+0 0E+0
-
-SmOHCO3(cr)
-SmOHCO3 = 1.000Sm+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O
- log_k -10.230
- delta_h -38.859 #kJ/mol
- # Enthalpy of formation: -1613.4 #kJ/mol #05ROR/FUG
- -analytic -1.70378E+1 0E+0 2.02974E+3 0E+0 0E+0
-
-SmOHCO3:0.5H2O(cr)
-SmOHCO3:0.5H2O = 1.000Sm+3 - 1.000H+ + 1.000CO3-2 + 1.500H2O
- log_k -7.310
- delta_h -51.074 #kJ/mol
- # Enthalpy of formation: -1744.1 #kJ/mol #05ROR/FUG
- -analytic -1.62578E+1 0E+0 2.66778E+3 0E+0 0E+0
-
-SmPO4:H2O(am)
-SmPO4:H2O = 1.000Sm+3 - 2.000H+ + 1.000H2(PO4)- + 1.000H2O
- log_k -5.000 #05CET/WOO
- delta_h -26.480 #kJ/mol
- # Enthalpy of formation: -2253.149 #kJ/mol #05CET/WOO
- -analytic -9.63909E+0 0E+0 1.38314E+3 0E+0 0E+0
-
-SmPO4:H2O(cr)
-SmPO4:H2O = 1.000Sm+3 - 2.000H+ + 1.000H2(PO4)- + 1.000H2O
- log_k -6.670 #97LIU/BYR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -6.67E+0 0E+0 0E+0 0E+0 0E+0
-
-SmectiteMX80
-Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.173Fe0.035)O10(OH)2 = 0.009Ca+2 + 0.214Mg+2 + 0.024K+ + 0.409Na+ + 0.173Fe+3 + 1.860Al+3 + 3.738H4(SiO4) + 0.035Fe+2 - 2.952H2O - 7.048H+
- log_k 5.270
- delta_h -184.029 #kJ/mol
- # Enthalpy of formation: -5656.37 #kJ/mol #12GAI/BLA
- -analytic -2.69704E+1 0E+0 9.61249E+3 0E+0 0E+0
-
-Smectite_MX80(3.989H2O)
-(Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:3.989H2O = 0.009Ca+2 + 0.214Mg+2 + 0.024K+ + 0.409Na+ + 0.173Fe+3 + 0.035Fe+2 + 1.860Al+3 - 7.048H+ + 3.738H4(SiO4) + 1.037H2O
- log_k 1.780
- delta_h -157.245 #kJ/mol
- # Enthalpy of formation: -6823.33 #kJ/mol #12GAI/BLA
- -analytic -2.57681E+1 0E+0 8.21347E+3 0E+0 0E+0
-
-Smectite_MX80(5.189H2O)
-(Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:5.189H2O = 0.009Ca+2 + 0.214Mg+2 + 0.024K+ + 0.409Na+ + 0.173Fe+3 + 0.035Fe+2 + 1.860Al+3 - 7.048H+ + 3.738H4(SiO4) + 2.237H2O
- log_k 1.440
- delta_h -149.152 #kJ/mol
- # Enthalpy of formation: -7174.42 #kJ/mol #12GAI/BLA
- -analytic -2.46903E+1 0E+0 7.79074E+3 0E+0 0E+0
-
-Sn(OH)4(s)
-Sn(OH)4 = 1.000Sn+4 - 4.000H+ + 4.000H2O
- log_k -1.280 #70BAR/KLI in 01SEB/POT
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.28E+0 0E+0 0E+0 0E+0 0E+0
-
-Sn(OH)Cl(s)
-Sn(OH)Cl = 1.000Sn+2 - 1.000H+ + 1.000Cl- + 1.000H2O
- log_k -2.420 #30RAN/MUR recalculated in 99LOT/OCH
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.42E+0 0E+0 0E+0 0E+0 0E+0
-
-Sn(cr)(alfa)
-Sn = 1.000Sn+2 + 1.000H2O - 2.000H+ - 0.500O2
- log_k 47.810
- delta_h -287.400 #kJ/mol
- # Enthalpy of formation: -1.98 #kJ/mol #12GAM/GAJ
- -analytic -2.54024E+0 0E+0 1.50119E+4 0E+0 0E+0
-
-Sn(cr)(beta)
-Sn = 1.000Sn+2 + 1.000H2O - 2.000H+ - 0.500O2
- log_k 47.790
- delta_h -289.380 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #89COX/WAG
- -analytic -2.90713E+0 0E+0 1.51153E+4 0E+0 0E+0
-
-SnO2(am)
-SnO2 = 1.000Sn+4 - 4.000H+ + 2.000H2O
- log_k -14.770
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.477E+1 0E+0 0E+0 0E+0 0E+0
-
-SnSe(alfa)
-SnSe = 1.000Sn+2 - 1.000H+ + 1.000HSe-
- log_k -21.670
- delta_h 114.183 #kJ/mol
- # Enthalpy of formation: -109.5 #kJ/mol #05OLI/NOL
- -analytic -1.66603E+0 0E+0 -5.96418E+3 0E+0 0E+0
-
-SnSe2(s)
-SnSe2 = 1.000Sn+2 + 2.000HSe- - 1.000H2O + 0.500O2
- log_k -73.780
- delta_h 413.646 #kJ/mol
- # Enthalpy of formation: -114.9 #kJ/mol #05OLI/NOL
- -analytic -1.31244E+0 0E+0 -2.16062E+4 0E+0 0E+0
-
-Soddyite(synt1)
-(UO2)2SiO4:2H2O = 2.000UO2+2 - 4.000H+ + 1.000H4(SiO4) + 2.000H2O
- log_k 3.900 #97PER/CAS
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0
-
-Soddyite(synt2)
-(UO2)2SiO4:2H2O = 2.000UO2+2 - 4.000H+ + 1.000H4(SiO4) + 2.000H2O
- log_k 6.430 #07GOR/MAZ
- delta_h -25.454 #kJ/mol
- # Enthalpy of formation: -4045.4 #kJ/mol #07GOR/MAZ
- -analytic 1.97066E+0 0E+0 1.32955E+3 0E+0 0E+0
-
-Sodium-compreignacite
-Na2(UO2)6O4(OH)6:7H2O = 2.000Na+ + 6.000UO2+2 - 14.000H+ + 17.000H2O
- log_k 39.400 #08GOR/FEI
- delta_h -517.390 #kJ/mol
- # Enthalpy of formation: -10936.4 #kJ/mol #06KUB/HEL
- -analytic -5.12427E+1 0E+0 2.70251E+4 0E+0 0E+0
-
-Sphaerocobaltite
-CoCO3 = 1.000Co+2 + 1.000CO3-2
- log_k -11.200 #99GRA2
- delta_h -9.421 #kJ/mol
- # Enthalpy of formation: -723.409 #kJ/mol
- -analytic -1.28505E+1 0E+0 4.92092E+2 0E+0 0E+0
-
-Sr(HPO4)(s)
-Sr(HPO4) = 1.000Sr+2 - 1.000H+ + 1.000H2(PO4)-
- log_k 0.280 #97MAR/SMI
- delta_h -19.487 #kJ/mol
- # Enthalpy of formation: -1834.012 #kJ/mol
- -analytic -3.13397E+0 0E+0 1.01788E+3 0E+0 0E+0
-
-Sr(NO3)2(cr)
-Sr(NO3)2 = 1.000Sr+2 + 2.000NO3-
- log_k 0.400
- delta_h 17.760 #kJ/mol
- # Enthalpy of formation: -982.36 #kJ/mol #92GRE/FUG
- -analytic 3.51141E+0 0E+0 -9.27668E+2 0E+0 0E+0
-
-Sr(NO3)2:2H2O(s)
-Sr(NO3)2:2H2O = 1.000Sr+2 + 2.000NO3- + 2.000H2O
- log_k 0.050 #25/08/1994
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 5E-2 0E+0 0E+0 0E+0 0E+0
-
-Sr(NO3)2:4H2O(s)
-Sr(NO3)2:4H2O = 1.000Sr+2 + 2.000NO3- + 4.000H2O
- log_k -0.870 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -8.7E-1 0E+0 0E+0 0E+0 0E+0
-
-Sr(OH)2(s)
-Sr(OH)2 = 1.000Sr+2 - 2.000H+ + 2.000H2O
- log_k 27.510
- delta_h -153.670 #kJ/mol
- # Enthalpy of formation: -968.89 #kJ/mol #98CHA
- -analytic 5.88211E-1 0E+0 8.02673E+3 0E+0 0E+0
-
-Sr(OH)2:8H2O(s)
-Sr(OH)2:8H2O = 1.000Sr+2 - 2.000H+ + 10.000H2O
- log_k 24.320 #98FEL/DIX
- delta_h -57.000 #kJ/mol
- # Enthalpy of formation: -3352.2 #kJ/mol #82WAG/EVA
- -analytic 1.4334E+1 0E+0 2.97731E+3 0E+0 0E+0
-
-Sr(SeO3)(cr)
-Sr(SeO3) = 1.000Sr+2 + 1.000SeO3-2
- log_k -6.300 #05OLI/NOL
- delta_h -6.160 #kJ/mol
- # Enthalpy of formation: -1051.9 #kJ/mol #05OLI/NOL
- -analytic -7.37918E+0 0E+0 3.21759E+2 0E+0 0E+0
-
-Sr(SeO4)(s)
-Sr(SeO4) = 1.000Sr+2 + 1.000SeO4-2
- log_k -4.350 #Original source 59SEL/ZUB recalculated in 05OLI/NOL
- delta_h -21.841 #kJ/mol
- # Enthalpy of formation: -1132.559 #kJ/mol
- -analytic -8.17637E+0 0E+0 1.14083E+3 0E+0 0E+0
-
-Sr(cr)
-Sr = 1.000Sr+2 + 1.000H2O - 2.000H+ - 0.500O2
- log_k 141.780
- delta_h -830.663 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol
- -analytic -3.7457E+0 0E+0 4.33885E+4 0E+0 0E+0
-
-Sr2SiO4(s)
-Sr2SiO4 = 2.000Sr+2 - 4.000H+ + 1.000H4(SiO4)
- log_k 43.250
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 4.325E+1 0E+0 0E+0 0E+0 0E+0
-
-Sr3(AsO4)2(s)
-Sr3(AsO4)2 = 3.000Sr+2 + 2.000AsO4-3
- log_k -16.080
- delta_h -109.493 #kJ/mol
- # Enthalpy of formation: -3319.487 #kJ/mol
- -analytic -3.52623E+1 0E+0 5.71921E+3 0E+0 0E+0
-
-Sr3(PO4)2(s)
-Sr3(PO4)2 = 3.000Sr+2 - 4.000H+ + 2.000H2(PO4)-
- log_k 10.530 #06BLA/IGN
- delta_h -147.900 #kJ/mol
- # Enthalpy of formation: -4110 #kJ/mol #97KHA/JEM
- -analytic -1.53809E+1 0E+0 7.72534E+3 0E+0 0E+0
-
-Sr5(PO4)3(OH)(s)
-Sr5(PO4)3(OH) = 5.000Sr+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O
- log_k 7.170 #05KIM/PAR
- delta_h -261.630 #kJ/mol
- # Enthalpy of formation: -6686.5 #kJ/mol #95JEM/CHE
- -analytic -3.86655E+1 0E+0 1.36659E+4 0E+0 0E+0
-
-SrBr2(s)
-SrBr2 = 1.000Sr+2 + 2.000Br-
- log_k 12.500 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.25E+1 0E+0 0E+0 0E+0 0E+0
-
-SrBr2:6H2O(s)
-SrBr2:6H2O = 1.000Sr+2 + 2.000Br- + 6.000H2O
- log_k 2.820 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 2.82E+0 0E+0 0E+0 0E+0 0E+0
-
-SrBr2:H2O(s)
-SrBr2:H2O = 1.000Sr+2 + 2.000Br- + 1.000H2O
- log_k 8.800 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.8E+0 0E+0 0E+0 0E+0 0E+0
-
-SrCl2(s)
-SrCl2 = 1.000Sr+2 + 2.000Cl-
- log_k 8.120
- delta_h -56.210 #kJ/mol
- # Enthalpy of formation: -828.85 #kJ/mol #98CHA
- -analytic -1.72755E+0 0E+0 2.93605E+3 0E+0 0E+0
-
-SrCl2:2H2O(s)
-SrCl2:2H2O = 1.000Sr+2 + 2.000Cl- + 2.000H2O
- log_k 3.470
- delta_h -18.720 #kJ/mol
- # Enthalpy of formation: -1438 #kJ/mol #82WAG/EVA
- -analytic 1.90402E-1 0E+0 9.77812E+2 0E+0 0E+0
-
-SrCl2:6H2O(s)
-SrCl2:6H2O = 1.000Sr+2 + 2.000Cl- + 6.000H2O
- log_k 1.610
- delta_h 23.760 #kJ/mol
- # Enthalpy of formation: -2623.8 #kJ/mol #82WAG/EVA
- -analytic 5.77257E+0 0E+0 -1.24107E+3 0E+0 0E+0
-
-SrCl2:H2O(s)
-SrCl2:H2O = 1.000Sr+2 + 2.000Cl- + 1.000H2O
- log_k 4.910
- delta_h -34.090 #kJ/mol
- # Enthalpy of formation: -1136.8 #kJ/mol #82WAG/EVA
- -analytic -1.0623E+0 0E+0 1.78064E+3 0E+0 0E+0
-
-SrCrO4(s)
-SrCrO4 = 1.000Sr+2 + 1.000CrO4-2
- log_k -4.650 #97MAR/SMI
- delta_h -10.125 #kJ/mol #97MAR/SMI
- # Enthalpy of formation: -1419.775 #kJ/mol
- -analytic -6.42382E+0 0E+0 5.28865E+2 0E+0 0E+0
-
-SrF2(cr)
-SrF2 = 1.000Sr+2 + 2.000F-
- log_k -8.540 #96FAL/REA
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -8.54E+0 0E+0 0E+0 0E+0 0E+0
-
-SrMoO4(s)
-SrMoO4 = 1.000Sr+2 + 1.000MoO4-2
- log_k -6.590 #54RAO in 74OHA/KEN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -6.59E+0 0E+0 0E+0 0E+0 0E+0
-
-SrO(cr)
-SrO = 1.000Sr+2 - 2.000H+ + 1.000H2O
- log_k 41.980
- delta_h -244.690 #kJ/mol
- # Enthalpy of formation: -592.04 #kJ/mol #98CHA
- -analytic -8.87785E-1 0E+0 1.2781E+4 0E+0 0E+0
-
-SrS(s)
-SrS = 1.000Sr+2 - 1.000H+ + 1.000HS-
- log_k 14.680 #
- delta_h -93.570 #kJ/mol
- # Enthalpy of formation: -473.63 #kJ/mol #82WAG/EVA
- -analytic -1.71274E+0 0E+0 4.88749E+3 0E+0 0E+0
-
-SrSiO3(s)
-SrSiO3 = 1.000Sr+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O
- log_k 13.160
- delta_h -80.278 #kJ/mol
- # Enthalpy of formation: -1645.986 #kJ/mol #74NAU/RYZ
- -analytic -9.04081E-1 0E+0 4.19321E+3 0E+0 0E+0
-
-SrZrSi2O7(cr)
-SrZrSi2O7 = 1.000Sr+2 - 6.000H+ + 2.000H4(SiO4) + 1.000Zr+4 - 1.000H2O
- log_k 5.200
- delta_h -155.158 #kJ/mol
- # Enthalpy of formation: -3640.8 #kJ/mol #05BRO/CUR
- -analytic -2.19825E+1 0E+0 8.10445E+3 0E+0 0E+0
-
-Stellerite
-Ca2Al4Si14O36:14H2O = 2.000Ca+2 + 4.000Al+3 - 16.000H+ + 14.000H4(SiO4) - 6.000H2O
- log_k 6.990
- delta_h -325.096 #kJ/mol
- # Enthalpy of formation: -21656.24 #kJ/mol #01FRI/NEU
- -analytic -4.99643E+1 0E+0 1.69809E+4 0E+0 0E+0
-
-Stibnite
-Sb2S3 = 3.000H+ + 3.000HS- + 2.000Sb(OH)3 - 6.000H2O
- log_k -56.030
- delta_h 269.695 #kJ/mol
- # Enthalpy of formation: -151.4 #kJ/mol #95ROB/HEM
- -analytic -8.78153E+0 0E+0 -1.40871E+4 0E+0 0E+0
-
-Stilbite
-NaCa2(Al5Si13)O36:16H2O = 2.000Ca+2 + 1.000Na+ + 5.000Al+3 - 20.000H+ + 13.000H4(SiO4)
- log_k 23.050
- delta_h -434.152 #kJ/mol
- # Enthalpy of formation: -22579.71 #kJ/mol #01FRI/NEU
- -analytic -5.30101E+1 0E+0 2.26773E+4 0E+0 0E+0
-
-Stilleite
-ZnSe = 1.000Zn+2 - 1.000H+ + 1.000HSe-
- log_k -12.050
- delta_h 36.910 #kJ/mol
- # Enthalpy of formation: -176 #kJ/mol #05OLI/NOL
- -analytic -5.58366E+0 0E+0 -1.92794E+3 0E+0 0E+0
-
-Stratlingite
-Ca2Al2SiO3(OH)8:4H2O = 2.000Ca+2 + 2.000Al+3 - 10.000H+ + 1.000H4(SiO4) + 11.000H2O
- log_k 49.660 #10BLA/BOU2
- delta_h -397.795 #kJ/mol
- # Enthalpy of formation: -6370.329 #kJ/mol
- -analytic -2.00306E+1 0E+0 2.07782E+4 0E+0 0E+0
-
-Strontianite
-Sr(CO3) = 1.000Sr+2 + 1.000CO3-2
- log_k -9.270 #84BUS/PLU
- delta_h -0.366 #kJ/mol
- # Enthalpy of formation: -1225.764 #kJ/mol
- -analytic -9.33412E+0 0E+0 1.91175E+1 0E+0 0E+0
-
-Sudoite
-Mg2Al4Si3O10(OH)8 = 2.000Mg+2 + 4.000Al+3 - 16.000H+ + 3.000H4(SiO4) + 6.000H2O
- log_k 37.960
- delta_h -530.892 #kJ/mol
- # Enthalpy of formation: -8655.27 #kJ/mol #05VID/PAR
- -analytic -5.50481E+1 0E+0 2.77304E+4 0E+0 0E+0
-
-Sylvite
-KCl = 1.000K+ + 1.000Cl-
- log_k 0.870
- delta_h 17.460 #kJ/mol
- # Enthalpy of formation: -436.68 #kJ/mol #98CHA
- -analytic 3.92886E+0 0E+0 -9.11998E+2 0E+0 0E+0
-
-Syngenite
-K2Ca(SO4)2:6H2O = 1.000Ca+2 + 2.000K+ + 2.000SO4-2 + 6.000H2O
- log_k -7.450 #84HAR/MOL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -7.45E+0 0E+0 0E+0 0E+0 0E+0
-
-Tachyhydrite
-Mg2CaCl6:12H2O = 1.000Ca+2 + 2.000Mg+2 + 6.000Cl- + 12.000H2O
- log_k 17.380 #84HAR/MOL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.738E+1 0E+0 0E+0 0E+0 0E+0
-
-Talc
-Mg3Si4O10(OH)2 = 3.000Mg+2 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
- log_k 24.940
- delta_h -210.356 #kJ/mol
- # Enthalpy of formation: -5892.1 #kJ/mol #01KAH/MAR
- -analytic -1.19127E+1 0E+0 1.09876E+4 0E+0 0E+0
-
-Tc(cr)
-Tc = 1.000TcO(OH)2 - 1.000H2O - 1.000O2
- log_k 60.900
- delta_h -451.356 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #99RAR/RAN
- -analytic -1.81741E+1 0E+0 2.35759E+4 0E+0 0E+0
-
-Tc2O7(s)
-Tc2O7 = 2.000H+ + 2.000TcO4- - 1.000H2O
- log_k 15.310
- delta_h -46.470 #kJ/mol
- # Enthalpy of formation: -1126.5 #kJ/mol #99RAR/RAN
- -analytic 7.16882E+0 0E+0 2.42729E+3 0E+0 0E+0
-
-Tc2O7:H2O(s)
-Tc2O7:H2O = 2.000H+ + 2.000TcO4-
- log_k 14.100
- delta_h -44.654 #kJ/mol
- # Enthalpy of formation: -1414.146 #kJ/mol #99RAR/RAN
- -analytic 6.27697E+0 0E+0 2.33244E+3 0E+0 0E+0
-
-TcO2(cr)
-TcO2 = 1.000TcO(OH)2 - 1.000H2O
- log_k -9.140 #97NGU/LAN
- delta_h -5.690 #kJ/mol
- # Enthalpy of formation: -457.8 #kJ/mol #99RAR/RAN
- -analytic -1.01368E+1 0E+0 2.97209E+2 0E+0 0E+0
-
-TcO2:1.63H2O(s)
-TcO2:1.63H2O = 1.000TcO(OH)2 + 0.630H2O
- log_k -8.400 #99RAR/RAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -8.4E+0 0E+0 0E+0 0E+0 0E+0
-
-Th(HPO4)2(s)
-Th(HPO4)2 = 1.000Th+4 - 2.000H+ + 2.000H2(PO4)-
- log_k -16.110 #Estimated from An(IV) correlations
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.611E+1 0E+0 0E+0 0E+0 0E+0
-
-Th(SO4)2:9H2O(cr)
-Th(SO4)2:9H2O = 1.000Th+4 + 2.000SO4-2 + 9.000H2O
- log_k -11.250 #09RAN/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.125E+1 0E+0 0E+0 0E+0 0E+0
-
-Th(cr)
-Th = 1.000Th+4 + 2.000H2O - 4.000H+ - 1.000O2
- log_k 209.450
- delta_h -1328.226 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #09RAN/FUG
- -analytic -2.32449E+1 0E+0 6.9378E+4 0E+0 0E+0
-
-ThF4(cr)
-ThF4 = 1.000Th+4 + 4.000F-
- log_k -19.110 #09RAN/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.911E+1 0E+0 0E+0 0E+0 0E+0
-
-ThO2(aged)
-ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O
- log_k 8.500 #09RAN/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 8.5E+0 0E+0 0E+0 0E+0 0E+0
-
-ThO2(coll)
-ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O
- log_k 11.100 #09RAN/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.11E+1 0E+0 0E+0 0E+0 0E+0
-
-ThO2(cr)
-ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O
- log_k 1.770
- delta_h -113.960 #kJ/mol
- # Enthalpy of formation: -1226.4 #kJ/mol #09RAN/FUG
- -analytic -1.81949E+1 0E+0 5.95254E+3 0E+0 0E+0
-
-ThO2(fresh)
-ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O
- log_k 9.300 #09RAN/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.3E+0 0E+0 0E+0 0E+0 0E+0
-
-ThO2(mcr)
-ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O
- log_k 3.000 #09RAN/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 3E+0 0E+0 0E+0 0E+0 0E+0
-
-Thermonatrite
-Na2(CO3):H2O = 2.000Na+ + 1.000CO3-2 + 1.000H2O
- log_k 0.480 #84HAR/MOL
- delta_h -12.040 #kJ/mol
- # Enthalpy of formation: -1429.7 #kJ/mol #82VAN
- -analytic -1.62931E+0 0E+0 6.28892E+2 0E+0 0E+0
-
-Thernardite
-Na2SO4 = 2.000Na+ + 1.000SO4-2
- log_k -0.360
- delta_h -2.200 #kJ/mol
- # Enthalpy of formation: -1387.82 #kJ/mol #98CHA
- -analytic -7.45423E-1 0E+0 1.14914E+2 0E+0 0E+0
-
-Tiemannite
-HgSe = 1.000Hg+2 - 1.000H+ + 1.000HSe-
- log_k -45.430
- delta_h 241.521 #kJ/mol
- # Enthalpy of formation: -57.011 #kJ/mol
- -analytic -3.1174E+0 0E+0 -1.26155E+4 0E+0 0E+0
-
-Tobermorite-11A
-Ca5Si6O16.5(OH):5H2O = 5.000Ca+2 - 10.000H+ + 6.000H4(SiO4) - 1.500H2O
- log_k 65.580 #10BLA/BOU1
- delta_h -372.499 #kJ/mol
- # Enthalpy of formation: -10680.92 #kJ/mol #00ZUE/FEH
- -analytic 3.21072E-1 0E+0 1.94569E+4 0E+0 0E+0
-
-Tobermorite-14A
-Ca5Si6O16.5(OH):10H2O = 5.000Ca+2 - 10.000H+ + 6.000H4(SiO4) + 3.500H2O
- log_k 62.940 #10BLA/BOU1
- delta_h -307.419 #kJ/mol
- # Enthalpy of formation: -12175.15 #kJ/mol #10BLA/BOU1
- -analytic 9.08258E+0 0E+0 1.60576E+4 0E+0 0E+0
-
-Trevorite
-Fe2NiO4 = 2.000Fe+3 + 1.000Ni+2 - 8.000H+ + 4.000H2O
- log_k 9.400
- delta_h -214.413 #kJ/mol
- # Enthalpy of formation: -1081.173 #kJ/mol
- -analytic -2.81635E+1 0E+0 1.11996E+4 0E+0 0E+0
-
-Troilite
-FeS = 1.000Fe+2 - 1.000H+ + 1.000HS-
- log_k -5.310 #91DAV
- delta_h 2.015 #kJ/mol
- # Enthalpy of formation: -108.315 #kJ/mol
- -analytic -4.95699E+0 0E+0 -1.05251E+2 0E+0 0E+0
-
-Trona
-Na3H(CO3)2:2H2O = 3.000Na+ + 1.000H+ + 2.000CO3-2 + 2.000H2O
- log_k -11.380 #84HAR/MOL
- delta_h 38.960 #kJ/mol
- # Enthalpy of formation: -2682.1 #kJ/mol #82VAN
- -analytic -4.55451E+0 0E+0 -2.03502E+3 0E+0 0E+0
-
-Truscottite
-Ca7Si12O29(OH)4:H2O = 7.000Ca+2 - 14.000H+ + 12.000H4(SiO4) - 14.000H2O
- log_k 77.080
- delta_h -479.088 #kJ/mol
- # Enthalpy of formation: -16854.62 #kJ/mol #10BLA/BOU1
- -analytic -6.85249E+0 0E+0 2.50245E+4 0E+0 0E+0
-
-U(HPO4)2:4H2O(s)
-U(HPO4)2:4H2O = 1.000U+4 - 2.000H+ + 2.000H2(PO4)- + 4.000H2O
- log_k -16.070 #92GRE/FUG
- delta_h -4.902 #kJ/mol
- # Enthalpy of formation: -4334.819 #kJ/mol
- -analytic -1.69288E+1 0E+0 2.56049E+2 0E+0 0E+0
-
-U(OH)2(SO4)(cr)
-U(OH)2(SO4) = 1.000U+4 - 2.000H+ + 1.000SO4-2 + 2.000H2O
- log_k -3.170 #92GRE/FUG
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -3.17E+0 0E+0 0E+0 0E+0 0E+0
-
-U(SO4)2(cr)
-U(SO4)2 = 1.000U+4 + 2.000SO4-2
- log_k -11.680
- delta_h -100.280 #kJ/mol
- # Enthalpy of formation: -2309.6 #kJ/mol #92GRE/FUG
- -analytic -2.92483E+1 0E+0 5.23798E+3 0E+0 0E+0
-
-U(SO4)2:4H2O(cr)
-U(SO4)2:4H2O = 1.000U+4 + 2.000SO4-2 + 4.000H2O
- log_k -11.720
- delta_h -70.000 #kJ/mol
- # Enthalpy of formation: -3483.2 #kJ/mol #92GRE/FUG
- -analytic -2.39835E+1 0E+0 3.65635E+3 0E+0 0E+0
-
-U(SO4)2:8H2O(cr)
-U(SO4)2:8H2O = 1.000U+4 + 2.000SO4-2 + 8.000H2O
- log_k -12.770
- delta_h -33.920 #kJ/mol
- # Enthalpy of formation: -4662.6 #kJ/mol #92GRE/FUG
- -analytic -1.87125E+1 0E+0 1.77176E+3 0E+0 0E+0
-
-U(cr)
-U = 1.000U+4 + 2.000H2O - 4.000H+ - 1.000O2
- log_k 178.810
- delta_h -1150.726 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG
- -analytic -2.27882E+1 0E+0 6.01065E+4 0E+0 0E+0
-
-U2O7Ba(cr)
-U2O7Ba = 1.000Ba+2 + 2.000UO2+2 - 6.000H+ + 3.000H2O
- log_k 21.390
- delta_h -193.090 #kJ/mol
- # Enthalpy of formation: -3237.2 #kJ/mol #92GRE/FUG
- -analytic -1.24379E+1 0E+0 1.00858E+4 0E+0 0E+0
-
-U2O7Ba2(cr)
-U2O7Ba2 = 2.000Ba+2 + 2.000UO2+ - 6.000H+ + 3.000H2O
- log_k 35.350
- delta_h -237.344 #kJ/mol
- # Enthalpy of formation: -3740 #kJ/mol #92GRE/FUG
- -analytic -6.23082E+0 0E+0 1.23973E+4 0E+0 0E+0
-
-U2O7Na2(s)
-U2O7Na2 = 2.000Na+ + 2.000UO2+2 - 6.000H+ + 3.000H2O
- log_k 22.600
- delta_h -172.370 #kJ/mol
- # Enthalpy of formation: -3203.8 #kJ/mol #92GRE/FUG
- -analytic -7.59788E+0 0E+0 9.0035E+3 0E+0 0E+0
-
-U3As4(s)
-U3As4 = 3.000UO2+2 - 3.000H2O + 6.000H+ + 4.000AsO4-3 - 9.500O2
- log_k 730.640
- delta_h -4916.797 #kJ/mol
- # Enthalpy of formation: -720 #kJ/mol #03GUI/FAN
- -analytic -1.30745E+2 0E+0 2.56822E+5 0E+0 0E+0
-
-UAs(s)
-UAs = 1.000UO2+2 - 0.500H2O + 1.000H+ + 1.000AsO4-3 - 2.750O2
- log_k 225.935
- delta_h -1496.557 #kJ/mol
- # Enthalpy of formation: -234.3 #kJ/mol #03GUI/FAN
- -analytic -3.62501E+1 0E+0 7.81705E+4 0E+0 0E+0
-
-UAs2(s)
-UAs2 = 1.000UO2+2 - 2.000H2O + 4.000H+ + 2.000AsO4-3 - 4.000O2
- log_k 278.200
- delta_h -1923.084 #kJ/mol
- # Enthalpy of formation: -252 #kJ/mol #03GUI/FAN
- -analytic -5.87094E+1 0E+0 1.0045E+5 0E+0 0E+0
-
-UO2(CO3)3Mg2:18H2O(s)
-UO2(CO3)3Mg2:18H2O = 2.000Mg+2 + 1.000UO2+2 + 3.000CO3-2 + 18.000H2O
- log_k -29.010
- delta_h 40.570 #kJ/mol
- # Enthalpy of formation: -9164.2 #kJ/mol #99CHE/EWI
- -analytic -2.19025E+1 0E+0 -2.11912E+3 0E+0 0E+0
-
-UO2(CO3)3Na4(cr)
-UO2(CO3)3Na4 = 4.000Na+ + 1.000UO2+2 + 3.000CO3-2
- log_k -27.180 #03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.718E+1 0E+0 0E+0 0E+0 0E+0
-
-UO2(HPO4):4H2O(cr)
-UO2(HPO4):4H2O = 1.000UO2+2 - 1.000H+ + 1.000H2(PO4)- + 4.000H2O
- log_k -4.640 #92GRE/FUG
- delta_h 5.048 #kJ/mol
- # Enthalpy of formation: -3469.968 #kJ/mol
- -analytic -3.75563E+0 0E+0 -2.63675E+2 0E+0 0E+0
-
-UO2(OH)2(beta)
-UO2(OH)2 = 1.000UO2+2 - 2.000H+ + 2.000H2O
- log_k 4.930
- delta_h -56.860 #kJ/mol
- # Enthalpy of formation: -1533.8 #kJ/mol #92GRE/FUG
- -analytic -5.03143E+0 0E+0 2.97E+3 0E+0 0E+0
-
-UO2(Ox):3H2O(s)
-UO2(Ox):3H2O = 1.000UO2+2 + 1.000Ox-2 + 3.000H2O
- log_k -8.930 #05HUM/AND
- delta_h -5.160 #kJ/mol #05HUM/AND
- # Enthalpy of formation: -2701.99 #kJ/mol
- -analytic -9.83399E+0 0E+0 2.69525E+2 0E+0 0E+0
-
-UO2(SO3)(cr)
-UO2(SO3) = 1.000UO2+2 + 1.000SO3-2
- log_k -15.830
- delta_h 6.450 #kJ/mol
- # Enthalpy of formation: -1661 #kJ/mol #92GRE/FUG
- -analytic -1.47E+1 0E+0 -3.36906E+2 0E+0 0E+0
-
-UO2(SO4)(cr)
-UO2(SO4) = 1.000UO2+2 + 1.000SO4-2
- log_k 1.890 #92GRE/FUG
- delta_h -83.200 #kJ/mol
- # Enthalpy of formation: -1845.14 #kJ/mol #92GRE/FUG
- -analytic -1.2686E+1 0E+0 4.34583E+3 0E+0 0E+0
-
-UO2(SO4):2.5H2O(cr)
-UO2(SO4):2.5H2O = 1.000UO2+2 + 1.000SO4-2 + 2.500H2O
- log_k -1.590
- delta_h -35.915 #kJ/mol
- # Enthalpy of formation: -2607 #kJ/mol #92GRE/FUG
- -analytic -7.88203E+0 0E+0 1.87597E+3 0E+0 0E+0
-
-UO2(SO4):3.5H2O(cr)
-UO2(SO4):3.5H2O = 1.000UO2+2 + 1.000SO4-2 + 3.500H2O
- log_k -1.590
- delta_h -27.145 #kJ/mol
- # Enthalpy of formation: -2901.6 #kJ/mol #92GRE/FUG
- -analytic -6.34559E+0 0E+0 1.41788E+3 0E+0 0E+0
-
-UO2(SO4):3H2O(cr)
-UO2(SO4):3H2O = 1.000UO2+2 + 1.000SO4-2 + 3.000H2O
- log_k -1.500 #92GRE/FUG
- delta_h -34.330 #kJ/mol
- # Enthalpy of formation: -2751.5 #kJ/mol #92GRE/FUG
- -analytic -7.51435E+0 0E+0 1.79318E+3 0E+0 0E+0
-
-UO2.25(s)
-UO2.25 = 1.000U+4 - 4.000H+ + 2.000H2O + 0.125O2
- log_k -11.748
- delta_h -36.377 #kJ/mol
- # Enthalpy of formation: -1128 #kJ/mol #92GRE/FUG
- -analytic -1.81205E+1 0E+0 1.90011E+3 0E+0 0E+0
-
-UO2.34(beta)
-UO2.34 = 1.000U+4 - 4.000H+ + 2.000H2O + 0.170O2
- log_k -13.987
- delta_h -22.008 #kJ/mol
- # Enthalpy of formation: -1141 #kJ/mol #03GUI/FAN
- -analytic -1.78422E+1 0E+0 1.14953E+3 0E+0 0E+0
-
-UO2.67(s)
-UO2.67 = 1.000U+4 - 4.000H+ + 2.000H2O + 0.335O2
- log_k -21.953
- delta_h 25.618 #kJ/mol
- # Enthalpy of formation: -1191.6 #kJ/mol #92GRE/FUG
- -analytic -1.74652E+1 0E+0 -1.33813E+3 0E+0 0E+0
-
-UO2:2H2O(am)
-UO2:2H2O = 1.000U+4 - 4.000H+ + 4.000H2O
- log_k 1.500 #03GUI/FAN
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0
-
-UO3(alfa)
-UO3 = 1.000UO2+2 - 2.000H+ + 1.000H2O
- log_k 9.520
- delta_h -92.420 #kJ/mol
- # Enthalpy of formation: -1212.41 #kJ/mol #03GUI/FAN
- -analytic -6.67127E+0 0E+0 4.82743E+3 0E+0 0E+0
-
-UO3(beta)
-UO3 = 1.000UO2+2 - 2.000H+ + 1.000H2O
- log_k 8.300
- delta_h -84.530 #kJ/mol
- # Enthalpy of formation: -1220.3 #kJ/mol #92GRE/FUG
- -analytic -6.509E+0 0E+0 4.4153E+3 0E+0 0E+0
-
-UO3Na(s)
-UO3Na = 1.000Na+ + 1.000UO2+ - 2.000H+ + 1.000H2O
- log_k 8.340
- delta_h -56.397 #kJ/mol
- # Enthalpy of formation: -1494.9 #kJ/mol #92GRE/FUG
- -analytic -1.54032E+0 0E+0 2.94582E+3 0E+0 0E+0
-
-UO4Ba(s)
-UO4Ba = 1.000Ba+2 + 1.000UO2+2 - 4.000H+ + 2.000H2O
- log_k 17.640
- delta_h -131.660 #kJ/mol
- # Enthalpy of formation: -1993.8 #kJ/mol #92GRE/FUG
- -analytic -5.42581E+0 0E+0 6.87707E+3 0E+0 0E+0
-
-UO4Ca(cr)
-UO4Ca = 1.000Ca+2 + 1.000UO2+2 - 4.000H+ + 2.000H2O
- log_k 15.930
- delta_h -131.360 #kJ/mol
- # Enthalpy of formation: -2002.3 #kJ/mol #92GRE/FUG
- -analytic -7.08325E+0 0E+0 6.8614E+3 0E+0 0E+0
-
-UO4Li2(s)
-UO4Li2 = 2.000Li+ + 1.000UO2+2 - 4.000H+ + 2.000H2O
- log_k 27.940
- delta_h -179.400 #kJ/mol
- # Enthalpy of formation: -1968.2 #kJ/mol #92GRE/FUG
- -analytic -3.48948E+0 0E+0 9.3707E+3 0E+0 0E+0
-
-UO4Mg(cr)
-UO4Mg = 1.000Mg+2 + 1.000UO2+2 - 4.000H+ + 2.000H2O
- log_k 23.230
- delta_h -200.360 #kJ/mol
- # Enthalpy of formation: -1857.3 #kJ/mol #92GRE/FUG
- -analytic -1.18715E+1 0E+0 1.04655E+4 0E+0 0E+0
-
-UO4Na2(alfa)
-UO4Na2 = 2.000Na+ + 1.000UO2+2 - 4.000H+ + 2.000H2O
- log_k 30.030
- delta_h -173.640 #kJ/mol
- # Enthalpy of formation: -1897.7 #kJ/mol #92GRE/FUG
- -analytic -3.90378E-1 0E+0 9.06984E+3 0E+0 0E+0
-
-UO4Na3(cr)
-UO4Na3 = 3.000Na+ + 1.000UO2+ - 4.000H+ + 2.000H2O
- log_k 56.280
- delta_h -293.807 #kJ/mol
- # Enthalpy of formation: -2024 #kJ/mol #92GRE/FUG
- -analytic 4.8073E+0 0E+0 1.53466E+4 0E+0 0E+0
-
-UO4Sr(alfa)
-UO4Sr = 1.000Sr+2 + 1.000UO2+2 - 4.000H+ + 2.000H2O
- log_k 19.160
- delta_h -151.960 #kJ/mol
- # Enthalpy of formation: -1989.6 #kJ/mol #92GRE/FUG
- -analytic -7.46221E+0 0E+0 7.93741E+3 0E+0 0E+0
-
-UO6Ba3(cr)
-UO6Ba3 = 3.000Ba+2 + 1.000UO2+2 - 8.000H+ + 4.000H2O
- log_k 92.700
- delta_h -556.320 #kJ/mol
- # Enthalpy of formation: -3210.4 #kJ/mol #92GRE/FUG
- -analytic -4.76294E+0 0E+0 2.90586E+4 0E+0 0E+0
-
-US2(cr)
-US2 = 1.000U+4 - 2.000H+ + 2.000HS-
- log_k -2.430
- delta_h -103.400 #kJ/mol
- # Enthalpy of formation: -520.4 #kJ/mol #92GRE/FUG
- -analytic -2.05449E+1 0E+0 5.40095E+3 0E+0 0E+0
-
-USe2(beta)
-USe2 = 1.000U+4 - 2.000H+ + 2.000HSe-
- log_k 2.820
- delta_h -135.600 #kJ/mol
- # Enthalpy of formation: -427 #kJ/mol #92GRE/FUG
- -analytic -2.09361E+1 0E+0 7.08287E+3 0E+0 0E+0
-
-Uraninite
-UO2 = 1.000U+4 - 4.000H+ + 2.000H2O
- log_k -4.850
- delta_h -77.860 #kJ/mol
- # Enthalpy of formation: -1085 #kJ/mol #92GRE/FUG
- -analytic -1.84905E+1 0E+0 4.06691E+3 0E+0 0E+0
-
-Uranophane
-Ca(UO2)2(SiO3OH)2:5H2O = 1.000Ca+2 + 2.000UO2+2 - 6.000H+ + 2.000H4(SiO4) + 5.000H2O
- log_k 9.420 #92NGU/SIL
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic 9.42E+0 0E+0 0E+0 0E+0 0E+0
-
-Vaesite
-NiS2 = 1.000Ni+2 + 2.000HS- - 1.000H2O + 0.500O2
- log_k -60.960
- delta_h 320.151 #kJ/mol
- # Enthalpy of formation: -128 #kJ/mol #05GAM/BUG
- -analytic -4.87203E+0 0E+0 -1.67226E+4 0E+0 0E+0
-
-Valentinite
-Sb2O3 = 2.000Sb(OH)3 - 3.000H2O
- log_k -8.480 #52GAY/GAR in 76BAE/MES
- delta_h 18.500 #kJ/mol
- # Enthalpy of formation: -708.77 #kJ/mol #62MAH in 03ZOT/SHI
- -analytic -5.23894E+0 0E+0 -9.66321E+2 0E+0 0E+0
-
-Vaterite
-CaCO3 = 1.000Ca+2 + 1.000CO3-2
- log_k -7.900
- delta_h -14.930 #kJ/mol
- # Enthalpy of formation: -1203.3 #kJ/mol #87GAR/PAR
- -analytic -1.05156E+1 0E+0 7.79847E+2 0E+0 0E+0
-
-Vermiculite-Ca
-Ca0.43Mg3Si3.14Al0.86O10(OH)2 = 0.430Ca+2 + 3.000Mg+2 + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) - 0.560H2O
- log_k 39.550
- delta_h -377.538 #kJ/mol
- # Enthalpy of formation: -6148.06 #kJ/mol #15BLA/VIE
- -analytic -2.65917E+1 0E+0 1.97202E+4 0E+0 0E+0
-
-Vermiculite-K
-K0.86Mg3.00Si3.14Al0.86O10(OH)2 = 3.000Mg+2 + 0.860K+ + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) - 0.560H2O
- log_k 37.440
- delta_h -335.539 #kJ/mol
- # Enthalpy of formation: -6173.41 #kJ/mol #15BLA/VIE
- -analytic -2.13438E+1 0E+0 1.75264E+4 0E+0 0E+0
-
-Vermiculite-Mg
-Mg0.43Mg3Si3.14Al0.86O10(OH)2 = 3.430Mg+2 + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) - 0.560H2O
- log_k 38.040
- delta_h -379.808 #kJ/mol
- # Enthalpy of formation: -6113.11 #kJ/mol #15BLA/VIE
- -analytic -2.84994E+1 0E+0 1.98387E+4 0E+0 0E+0
-
-Vermiculite-Na
-Na0.86Mg3.00Si3.14Al0.86O10(OH)2 = 3.000Mg+2 + 0.860Na+ + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) - 0.560H2O
- log_k 38.390
- delta_h -355.541 #kJ/mol
- # Enthalpy of formation: -6143.26 #kJ/mol #15BLA/VIE
- -analytic -2.3898E+1 0E+0 1.85712E+4 0E+0 0E+0
-
-Vermiculite_SO
-(Ca0.445)(Si2.778Al1.222)(Al0.216Fe0.226Fe0.028Mg2.475)O10(OH)2 = 0.445Ca+2 + 2.475Mg+2 + 0.226Fe+3 + 1.438Al+3 + 2.778H4(SiO4) + 0.028Fe+2 + 0.888H2O - 10.888H+
- log_k 45.910
- delta_h -463.877 #kJ/mol
- # Enthalpy of formation: -6034.41 #kJ/mol #13GAI/BLA
- -analytic -3.53576E+1 0E+0 2.42299E+4 0E+0 0E+0
-
-Vivianite
-Fe3(PO4)2:8H2O = 3.000Fe+2 - 4.000H+ + 2.000H2(PO4)- + 8.000H2O
- log_k 3.120
- delta_h -9.561 #kJ/mol
- # Enthalpy of formation: -5152.279 #kJ/mol
- -analytic 1.44499E+0 0E+0 4.99405E+2 0E+0 0E+0
-
-Wairakite
-CaAl2Si4O12:2H2O = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 4.000H4(SiO4) - 2.000H2O
- log_k 14.440
- delta_h -246.216 #kJ/mol
- # Enthalpy of formation: -6646.7 #kJ/mol #96KIS/NAV
- -analytic -2.86951E+1 0E+0 1.28607E+4 0E+0 0E+0
-
-Witherite
-Ba(CO3) = 1.000Ba+2 + 1.000CO3-2
- log_k -8.560 #86BUS/PLU
- delta_h 2.941 #kJ/mol #86BUS/PLU
- # Enthalpy of formation: -1212.971 #kJ/mol
- -analytic -8.04476E+0 0E+0 -1.53619E+2 0E+0 0E+0
-
-Xonotlite
-Ca6Si6O17(OH)2 = 6.000Ca+2 - 12.000H+ + 6.000H4(SiO4) - 5.000H2O
- log_k 91.340 #10BLA/BOU1
- delta_h -573.864 #kJ/mol
- # Enthalpy of formation: -10022.15 #kJ/mol #56NEW
- -analytic -9.19651E+0 0E+0 2.9975E+4 0E+0 0E+0
-
-Zeolite_CaP
-Ca2Al4Si4O16:9H2O = 2.000Ca+2 + 4.000Al+3 - 16.000H+ + 4.000H4(SiO4) + 9.000H2O
- log_k 45.150 #09BLA
- delta_h -527.736 #kJ/mol
- # Enthalpy of formation: -11129.11 #kJ/mol #09BLA
- -analytic -4.73052E+1 0E+0 2.75655E+4 0E+0 0E+0
-
-Zn(SeO4):6H2O(s)
-Zn(SeO4):6H2O = 1.000Zn+2 + 1.000SeO4-2 + 6.000H2O
- log_k -1.538 #05OLI/NOL
- delta_h -13.330 #kJ/mol
- # Enthalpy of formation: -2458.54 #kJ/mol #05OLI/NOL
- -analytic -3.87331E+0 0E+0 6.96273E+2 0E+0 0E+0
-
-Zn3(AsO4)2(s)
-Zn3(AsO4)2 = 3.000Zn+2 + 2.000AsO4-3
- log_k -27.450
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -2.745E+1 0E+0 0E+0 0E+0 0E+0
-
-ZnB2O4(s)
-ZnB2O4 = 1.000Zn+2 + 2.000B(OH)4- - 4.000H2O
- log_k -10.190 #91BAL/NOR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -1.019E+1 0E+0 0E+0 0E+0 0E+0
-
-Zr(HPO4)2(alfa)
-Zr(HPO4)2 = - 2.000H+ + 2.000H2(PO4)- + 1.000Zr+4
- log_k -32.270
- delta_h -47.500 #kJ/mol
- # Enthalpy of formation: -3166.2 #kJ/mol #05BRO/CUR
- -analytic -4.05916E+1 0E+0 2.48109E+3 0E+0 0E+0
-
-Zr(HPO4)2:H2O(cr)
-Zr(HPO4)2:H2O = - 2.000H+ + 2.000H2(PO4)- + 1.000Zr+4 + 1.000H2O
- log_k -27.080 #05BRO/CUR
- delta_h -33.430 #kJ/mol
- # Enthalpy of formation: -3466.1 #kJ/mol #05BRO/CUR
- -analytic -3.29367E+1 0E+0 1.74617E+3 0E+0 0E+0
-
-Zr(OH)4(am,aged)
-Zr(OH)4 = - 4.000H+ + 1.000Zr+4 + 4.000H2O
- log_k -5.550 #Recalculated from 04EKB/KAL in 05BRO/CUR
- # delta_h 0.000 #kJ/mol
- # Enthalpy of formation: #kJ/mol
- -analytic -5.55E+0 0E+0 0E+0 0E+0 0E+0
-
-Zr(OH)4(am,fresh)
-Zr(OH)4 = - 4.000H+ + 1.000Zr+4 + 4.000H2O
- log_k -3.240 #05BRO/CUR
- delta_h -89.620 #kJ/mol
- # Enthalpy of formation: -1662.2 #kJ/mol #05BRO/CUR
- -analytic -1.89407E+1 0E+0 4.68117E+3 0E+0 0E+0
-
-Zr(SO4)2(cr)
-Zr(SO4)2 = 2.000SO4-2 + 1.000Zr+4
- log_k 1.240
- delta_h -181.980 #kJ/mol
- # Enthalpy of formation: -2245.2 #kJ/mol #05BRO/CUR
- -analytic -3.06415E+1 0E+0 9.50546E+3 0E+0 0E+0
-
-Zr(SO4)2:4H2O(s)
-Zr(SO4)2:4H2O = 2.000SO4-2 + 1.000Zr+4 + 4.000H2O
- log_k -7.650
- delta_h -99.600 #kJ/mol
- # Enthalpy of formation: -3470.9 #kJ/mol #05BRO/CUR
- -analytic -2.50991E+1 0E+0 5.20246E+3 0E+0 0E+0
-
-Zr(cr)
-Zr = 1.000Zr+4 + 2.000H2O - 4.000H+ - 1.000O2
- log_k 178.570
- delta_h -1168.026 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #05BRO/CUR
- -analytic -2.60591E+1 0E+0 6.10102E+4 0E+0 0E+0
-
-ZrBr4(cr)
-ZrBr4 = 4.000Br- + 1.000Zr+4
- log_k 38.520
- delta_h -334.640 #kJ/mol
- # Enthalpy of formation: -759.5 #kJ/mol #05BRO/CUR
- -analytic -2.01063E+1 0E+0 1.74794E+4 0E+0 0E+0
-
-ZrCl(s)
-ZrCl = 1.000Cl- + 1.000Zr+4 + 1.500H2O - 3.000H+ - 0.750O2
- log_k 133.725
- delta_h -904.025 #kJ/mol
- # Enthalpy of formation: -291.2 #kJ/mol #05BRO/CUR
- -analytic -2.46531E+1 0E+0 4.72204E+4 0E+0 0E+0
-
-ZrCl2(s)
-ZrCl2 = 2.000Cl- + 1.000Zr+4 + 1.000H2O - 2.000H+ - 0.500O2
- log_k 94.640
- delta_h -679.623 #kJ/mol
- # Enthalpy of formation: -542.8 #kJ/mol #05BRO/CUR
- -analytic -2.44247E+1 0E+0 3.54991E+4 0E+0 0E+0
-
-ZrCl3(s)
-ZrCl3 = 3.000Cl- + 1.000Zr+4 + 0.500H2O - 1.000H+ - 0.250O2
- log_k 62.215
- delta_h -489.522 #kJ/mol
- # Enthalpy of formation: -760.1 #kJ/mol #05BRO/CUR
- -analytic -2.35454E+1 0E+0 2.55695E+4 0E+0 0E+0
-
-ZrCl4(s)
-ZrCl4 = 4.000Cl- + 1.000Zr+4
- log_k 28.600
- delta_h -296.020 #kJ/mol
- # Enthalpy of formation: -980.8 #kJ/mol #05BRO/CUR
- -analytic -2.32604E+1 0E+0 1.54622E+4 0E+0 0E+0
-
-ZrF2(s)
-ZrF2 = 2.000F- + 1.000Zr+4 + 1.000H2O - 2.000H+ - 0.500O2
- log_k 75.600
- delta_h -602.963 #kJ/mol
- # Enthalpy of formation: -956 #kJ/mol #97VIS/COR
- -analytic -3.00344E+1 0E+0 3.14949E+4 0E+0 0E+0
-
-ZrF3(s)
-ZrF3 = 3.000F- + 1.000Zr+4 + 0.500H2O - 1.000H+ - 0.250O2
- log_k 24.295
- delta_h -321.432 #kJ/mol
- # Enthalpy of formation: -1433 #kJ/mol #97VIS/COR
- -analytic -3.20173E+1 0E+0 1.67895E+4 0E+0 0E+0
-
-ZrF4(beta)
-ZrF4 = 4.000F- + 1.000Zr+4
- log_k -27.250
- delta_h -38.600 #kJ/mol
- # Enthalpy of formation: -1911.3 #kJ/mol #05BRO/CUR
- -analytic -3.40124E+1 0E+0 2.01622E+3 0E+0 0E+0
-
-ZrI4(cr)
-ZrI4 = 4.000I- + 1.000Zr+4
- log_k 44.590
- delta_h -346.720 #kJ/mol
- # Enthalpy of formation: -488.9 #kJ/mol #05BRO/CUR
- -analytic -1.61526E+1 0E+0 1.81104E+4 0E+0 0E+0
-
-ZrO2(cr)
-ZrO2 = - 4.000H+ + 1.000Zr+4 + 2.000H2O
- log_k -7.000
- delta_h -79.560 #kJ/mol
- # Enthalpy of formation: -1100.6 #kJ/mol #05BRO/CUR
- -analytic -2.09383E+1 0E+0 4.1557E+3 0E+0 0E+0
-
-ZrSiO4(s)
-ZrSiO4 = - 4.000H+ + 1.000H4(SiO4) + 1.000Zr+4
- log_k -14.360
- delta_h -35.494 #kJ/mol
- # Enthalpy of formation: -2034.2 #kJ/mol #05BRO/CUR
- -analytic -2.05783E+1 0E+0 1.85398E+3 0E+0 0E+0
-
-illite-FeIII
-K0.85Fe0.25Al2.6Si3.15O10(OH)2 = 0.850K+ + 0.250Fe+3 + 2.600Al+3 - 9.400H+ + 3.150H4(SiO4) - 0.600H2O
- log_k 12.370
- delta_h -262.282 #kJ/mol
- # Enthalpy of formation: -5795.39 #kJ/mol #15BLA/VIE
- -analytic -3.35798E+1 0E+0 1.36999E+4 0E+0 0E+0
-
-
-
-
-# PMATCH GASES
-
-CH4(g)
-CH4 = 2.000H+ + 1.000CO3-2 + 1.000H2O - 2.000O2
- log_k 130.910
- delta_h -861.919 #kJ/mol
- # Enthalpy of formation: -74.873 #kJ/mol #98CHA
- -analytic -2.00915E+1 0E+0 4.50211E+4 0E+0 0E+0
-
-CO(g)
-CO = 2.000H+ + 1.000CO3-2 - 1.000H2O - 0.500O2
- log_k 28.350
- delta_h -272.803 #kJ/mol
- # Enthalpy of formation: -110.53 #kJ/mol #89COX/WAG
- -analytic -1.9443E+1 0E+0 1.42495E+4 0E+0 0E+0
-
-CO2(g)
-CO2 = 2.000H+ + 1.000CO3-2 - 1.000H2O
- log_k -18.150
- delta_h 4.110 #kJ/mol
- # Enthalpy of formation: -393.51 #kJ/mol #89COX/WAG
- -analytic -1.743E+1 0E+0 -2.1468E+2 0E+0 0E+0
-
-Cl2(g)
-Cl2 = 2.000Cl- - 1.000H2O + 2.000H+ + 0.500O2
- log_k 2.990
- delta_h -54.397 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #89COX/WAG
- -analytic -6.53993E+0 0E+0 2.84135E+3 0E+0 0E+0
-
-H2(g)
-H2 = 1.000H2O - 0.500O2
- log_k 42.990
- delta_h -279.763 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol #89COX/WAG
- -analytic -6.0223E+0 0E+0 1.4613E+4 0E+0 0E+0
-
-H2O(g)
-H2O = 1.000H2O
- log_k 1.500
- delta_h -44.004 #kJ/mol
- # Enthalpy of formation: -241.826 #kJ/mol #89COX/WAG
- -analytic -6.20916E+0 0E+0 2.29849E+3 0E+0 0E+0
-
-H2S(g)
-H2S = 1.000H+ + 1.000HS-
- log_k -8.000
- delta_h 4.300 #kJ/mol
- # Enthalpy of formation: -20.6 #kJ/mol #89COX/WAG
- -analytic -7.24667E+0 0E+0 -2.24604E+2 0E+0 0E+0
-
-HCl(g)
-HCl = 1.000H+ + 1.000Cl-
- log_k 6.290
- delta_h -74.770 #kJ/mol
- # Enthalpy of formation: -92.31 #kJ/mol #89COX/WAG
- -analytic -6.80912E+0 0E+0 3.9055E+3 0E+0 0E+0
-
-O2(g)
-O2 = 1.000O2
- log_k -2.900
- delta_h -12.134 #kJ/mol
- # Enthalpy of formation: 0 #kJ/mol
- -analytic -5.02578E+0 0E+0 6.33802E+2 0E+0 0E+0
-
-SO2(g)
-SO2 = 2.000H+ + 1.000SO3-2 - 1.000H2O
- log_k -8.940
- delta_h -48.420 #kJ/mol
- # Enthalpy of formation: -296.81 #kJ/mol #89COX/WAG
- -analytic -1.74228E+1 0E+0 2.52915E+3 0E+0 0E+0
-
diff --git a/Tests/Data/PhreeqcDatabase/sit.dat b/Tests/Data/PhreeqcDatabase/sit.dat
new file mode 120000
index 00000000000..ffa963d51e5
--- /dev/null
+++ b/Tests/Data/PhreeqcDatabase/sit.dat
@@ -0,0 +1 @@
+../../../ThirdParty/iphreeqc/src/database/sit.dat
\ No newline at end of file
diff --git a/Tests/Data/PhreeqcDatabase/wateq4f.dat b/Tests/Data/PhreeqcDatabase/wateq4f.dat
deleted file mode 100644
index e7988a5ee73..00000000000
--- a/Tests/Data/PhreeqcDatabase/wateq4f.dat
+++ /dev/null
@@ -1,4026 +0,0 @@
-# $Id$
-# Revised arsenic data from Archer and Nordstrom (2002)
-
-SOLUTION_MASTER_SPECIES
-
-Ag Ag+ 0.0 107.868 107.868
-Al Al+3 0.0 26.9815 26.9815
-Alkalinity CO3-2 1.0 50.05 50.05
-As H3AsO4 -1.0 74.9216 74.9216
-As(+3) H3AsO3 0.0 74.9216 74.9216
-As(+5) H3AsO4 -1.0 74.9216
-B H3BO3 0.0 10.81 10.81
-Ba Ba+2 0.0 137.34 137.34
-Br Br- 0.0 79.904 79.904
-C CO3-2 2.0 61.0173 12.0111
-C(+4) CO3-2 2.0 61.0173
-C(-4) CH4 0.0 16.042
-Ca Ca+2 0.0 40.08 40.08
-Cd Cd+2 0.0 112.4 112.4
-Cl Cl- 0.0 35.453 35.453
-Cs Cs+ 0.0 132.905 132.905
-Cu Cu+2 0.0 63.546 63.546
-Cu(+1) Cu+1 0.0 63.546
-Cu(+2) Cu+2 0.0 63.546
-E e- 0.0 0.0 0.0
-F F- 0.0 18.9984 18.9984
-Fe Fe+2 0.0 55.847 55.847
-Fe(+2) Fe+2 0.0 55.847
-Fe(+3) Fe+3 -2.0 55.847
-Fulvate Fulvate-2 0.0 650. 650.
-H H+ -1. 1.008 1.008
-H(0) H2 0.0 1.008
-H(1) H+ -1. 1.008
-Humate Humate-2 0.0 2000. 2000.
-I I- 0.0 126.9044 126.9044
-K K+ 0.0 39.102 39.102
-Li Li+ 0.0 6.939 6.939
-Mg Mg+2 0.0 24.312 24.312
-Mn Mn+2 0.0 54.938 54.938
-Mn(2) Mn+2 0.0 54.938
-Mn(3) Mn+3 0.0 54.938
-Mn(6) MnO4-2 0.0 54.938
-Mn(7) MnO4- 0.0 54.938
-N NO3- 0.0 14.0067 14.0067
-N(-3) NH4+ 0.0 14.0067
-N(0) N2 0.0 14.0067
-N(+3) NO2- 0.0 14.0067
-N(+5) NO3- 0.0 14.0067
-Na Na+ 0.0 22.9898 22.9898
-Ni Ni+2 0.0 58.71 58.71
-O H2O 0.0 16.00 16.00
-O(-2) H2O 0.0 18.016
-O(0) O2 0.0 16.00
-P PO4-3 2.0 30.9738 30.9738
-Pb Pb+2 0.0 207.19 207.19
-Rb Rb+ 0.0 85.47 85.47
-S SO4-2 0.0 96.0616 32.064
-S(-2) H2S 0.0 32.064
-S(6) SO4-2 0.0 96.0616
-Se SeO4-2 0.0 78.96 78.96
-Se(-2) HSe- 0.0 78.96
-Se(4) SeO3-2 0.0 78.96
-Se(6) SeO4-2 0.0 78.96
-Si H4SiO4 0.0 60.0843 28.0843
-Sr Sr+2 0.0 87.62 87.62
-Zn Zn+2 0.0 65.37 65.37
-U UO2+2 0.0 238.0290 238.0290
-U(3) U+3 0.0 238.0290 238.0290
-U(4) U+4 0.0 238.0290 238.0290
-U(5) UO2+ 0.0 238.0290 238.0290
-U(6) UO2+2 0.0 238.0290 238.0290
-
-SOLUTION_SPECIES
-
-#H+ primary master species
- H+ = H+
- log_k 0.0
- -gamma 9.0 0.0
-
-#e- primary master species
- e- = e-
- log_k 0.0
-
-#H2O primary master species
- H2O = H2O
- log_k 0.0
-
-#Ag+ primary master species
- Ag+ = Ag+
- log_k 0.0
-
-#Al+3 primary master species
- Al+3 = Al+3
- log_k 0.0
- -gamma 9.0 0.0
-
-#H3AsO4 primary master species
- H3AsO4 = H3AsO4
- log_k 0.0
-
-#H3BO3 primary master species
- H3BO3 = H3BO3
- log_k 0.0
-
-#Ba+2 primary master species
- Ba+2 = Ba+2
- log_k 0.0
- -gamma 5.0 0.0
-
-#Br- primary master species
- Br- = Br-
- log_k 0.0
-
-#CO3-2 primary master species
- CO3-2 = CO3-2
- log_k 0.0
- -gamma 5.4 0.0
-
-#Ca+2 primary master species
- Ca+2 = Ca+2
- log_k 0.0
- -gamma 5.0 0.165
-
-#Cd+2 primary master species
- Cd+2 = Cd+2
- log_k 0.0
-
-#Cl- primary master species
- Cl- = Cl-
- log_k 0.0
- -gamma 3.5 0.015
-
-#Cs+ primary master species
- Cs+ = Cs+
- log_k 0.0
-
-#Cu+2 primary master species
- Cu+2 = Cu+2
- log_k 0.0
- -gamma 6.0 0.0
-
-#F- primary master species
- F- = F-
- log_k 0.0
- -gamma 3.5 0.0
-
-#Fe+2 primary master species
- Fe+2 = Fe+2
- log_k 0.0
- -gamma 6.0 0.0
-
-#Fulvate-2 primary master species
- Fulvate-2 = Fulvate-2
- log_k 0.0
-
-#Humate-2 primary master species
- Humate-2 = Humate-2
- log_k 0.0
-
-#I- primary master species
- I- = I-
- log_k 0.0
-
-#K+ primary master species
- K+ = K+
- log_k 0.0
- -gamma 3.5 0.015
-
-#Li+ primary master species
- Li+ = Li+
- log_k 0.0
- -gamma 6.0 0.0
-
-#Mg+2 primary master species
- Mg+2 = Mg+2
- log_k 0.0
- -gamma 5.5 0.200
-
-#Mn+2 primary master species
- Mn+2 = Mn+2
- log_k 0.0
- -gamma 6.0 0.0
-
-#NO3- primary master species
- NO3- = NO3-
- log_k 0.0
- -gamma 3.0 0.0
-
-#Na+ primary master species
- Na+ = Na+
- log_k 0.0
- -gamma 4.0 0.075
-
-#Ni+2 primary master species
- Ni+2 = Ni+2
- log_k 0.0
-
-#PO4-3 primary master species
- PO4-3 = PO4-3
- log_k 0.0
- -gamma 5.0 0.0
-
-#Pb+2 primary master species
- Pb+2 = Pb+2
- log_k 0.0
-
-#Rb+ primary master species
- Rb+ = Rb+
- log_k 0.0
-
-#SO4-2 primary master species
- SO4-2 = SO4-2
- log_k 0.0
- -gamma 5.0 -0.040
-
-#SeO4-2 primary master species
- SeO4-2 = SeO4-2
- log_k 0.0
-
-#H4SiO4 primary master species
- H4SiO4 = H4SiO4
- log_k 0.0
-
-#Sr+2 primary master species
- Sr+2 = Sr+2
- log_k 0.0
- -gamma 5.26 0.121
-
-#UO2+2 primary master species
- UO2+2 = UO2+2
- log_k 0.0
-
-#Zn+2 primary master species
- Zn+2 = Zn+2
- log_k 0.0
- -gamma 6.0 0.0
-
-#Fe+3 secondary master species 0
- Fe+2 = Fe+3 + e-
- log_k -13.020
- delta_h 9.680 kcal
- -gamma 9.0 0.0
-
-#FeOH+2 1
- Fe+3 + H2O = FeOH+2 + H+
- log_k -2.19
- delta_h 10.4 kcal
- -gamma 5.0 0.0
-
-#FeOH+ 2
- Fe+2 + H2O = FeOH+ + H+
- log_k -9.5
- delta_h 13.2 kcal
- -gamma 5.0 0.0
-
-#Fe(OH)3- 3
- Fe+2 + 3H2O = Fe(OH)3- + 3H+
- log_k -31.0
- delta_h 30.3 kcal
- -gamma 5.0 0.0
-
-#FeSO4+ 4
- Fe+3 + SO4-2 = FeSO4+
- log_k 4.04
- delta_h 3.91 kcal
- -gamma 5.0 0.0
-
-#FeCl+2 5
- Fe+3 + Cl- = FeCl+2
- log_k 1.48
- delta_h 5.6 kcal
- -gamma 5.0 0.0
-
-#FeCl2+ 6
- Fe+3 + 2Cl- = FeCl2+
- log_k 2.13
-
-#FeCl3 7
- Fe+3 + 3Cl- = FeCl3
- log_k 1.13
-
-#FeSO4 8
- Fe+2 + SO4-2 = FeSO4
- log_k 2.25
- delta_h 3.23 kcal
-
-#H3SiO4- 13
- H4SiO4 = H3SiO4- + H+
- log_k -9.83
- delta_h 6.12 kcal
- -analytical -302.3724 -0.050698 15669.69 108.18466 -1119669.0
- -gamma 4.0 0.0
-
-#H2SiO4-2 14
- H4SiO4 = H2SiO4-2 + 2H+
- log_k -23.0
- delta_h 17.6 kcal
- -analytical -294.0184 -0.07265 11204.49 108.18466 -1119669.0
- -gamma 5.4 0.0
-
-#HPO4-2 15
- H+ + PO4-3 = HPO4-2
- log_k 12.346
- delta_h -3.53 kcal
- -gamma 5.0 0.0
-
-#H2PO4- 16
- 2H+ + PO4-3 = H2PO4-
- log_k 19.553
- delta_h -4.52 kcal
- -gamma 5.4 0.0
-
-#MgF+ 22
- Mg+2 + F- = MgF+
- log_k 1.82
- delta_h 3.2 kcal
- -gamma 4.5 0.0
-
-#CaSO4 23
- Ca+2 + SO4-2 = CaSO4
- log_k 2.3
- delta_h 1.65 kcal
-
-#MgOH+ 24
- Mg+2 + H2O = MgOH+ + H+
- log_k -11.44
- delta_h 15.952 kcal
- -gamma 6.5 0.0
-
-#H3BO3 25
- H3BO3 = H2BO3- + H+
- log_k -9.24
- delta_h 3.224 kcal
-# -analytical 24.3919 0.012078 -1343.9 -13.2258
- -gamma 2.5 0.0
-
-#NH3 26
- NH4+ = NH3 + H+
- log_k -9.252
- delta_h 12.48 kcal
- -analytic 0.6322 -0.001225 -2835.76
- -gamma 2.5 0.0
-
-#NaHPO4- 30
- Na+ + HPO4-2 = NaHPO4-
- log_k 0.29
- -gamma 5.4 0.0
-
-#KHPO4- 32
- K+ + HPO4-2 = KHPO4-
- log_k 0.29
- -gamma 5.4 0.0
-
-#MgHPO4 33
- Mg+2 + HPO4-2 = MgHPO4
- log_k 2.87
- delta_h 3.3 kcal
-
-#CaHPO4 34
- Ca+2 + HPO4-2 = CaHPO4
- log_k 2.739
- delta_h 3.3 kcal
-
-#CH4 secondary master species
- CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O
- log_k 41.071
- delta_h -61.039 kcal
-
-#H2CO3 35
-# HCO3- + H+ = H2CO3
-# log_k 6.351
-# delta_h -2.247 kcal
-# -analytical 356.3094 0.06091960 -21834.37 -126.8339 1684915.0
-
-#CO2 could be used instead of H2CO3
- CO3-2 + 2 H+ = CO2 + H2O
- log_k 16.681
- delta_h -5.738 kcal
- -analytical 464.1965 0.09344813 -26986.16 -165.75951 2248628.9
-
-#HCO3- 68
- H+ + CO3-2 = HCO3-
- log_k 10.329
- delta_h -3.561 kcal
- -analytical 107.8871 0.03252849 -5151.79 -38.92561 563713.9
- -gamma 5.4 0.0
-
-#NaCO3- 69
- Na+ + CO3-2 = NaCO3-
- log_k 1.27
- delta_h 8.91 kcal
- -gamma 5.4 0.0
-
-#NaHCO3 70
- Na+ + HCO3- = NaHCO3
- log_k -0.25
-
-#NaSO4- 71
- Na+ + SO4-2 = NaSO4-
- log_k 0.7
- delta_h 1.12 kcal
- -gamma 5.4 0.0
-
-#KSO4- 72
- K+ + SO4-2 = KSO4-
- log_k 0.85
- delta_h 2.25 kcal
- -analytical 3.106 0.0 -673.6
- -gamma 5.4 0.0
-
-#MgCO3 73
- Mg+2 + CO3-2 = MgCO3
- log_k 2.98
- delta_h 2.713 kcal
- -analytical 0.9910 0.00667
-
-#MgHCO3+ 74
- Mg+2 + HCO3- = MgHCO3+
- log_k 1.07
- delta_h 0.79 kcal
- -analytical -59.215 0.0 2537.455 20.92298 0.0
- -gamma 4.0 0.0
-
-#MgSO4 75
- Mg+2 + SO4-2 = MgSO4
- log_k 2.37
- delta_h 4.55 kcal
-
-#CaOH+ 76
- Ca+2 + H2O = CaOH+ + H+
- log_k -12.78
- -gamma 6.0 0.0
-
-#CaHCO3+ 77
- Ca+2 + HCO3- = CaHCO3+
- log_k 1.106
- delta_h 2.69 kcal
- -analytical 1209.12 0.31294 -34765.05 -478.782 0.0
- -gamma 6.0 0.0
-
-#CaCO3 78
- Ca+2 + CO3-2 = CaCO3
- log_k 3.224
- delta_h 3.545 kcal
- -analytical -1228.732 -0.299444 35512.75 485.818 0.0
-
-#SrHCO3+ 79
- Sr+2 + HCO3- = SrHCO3+
- log_k 1.18
- delta_h 6.05 kcal
- -analytical -3.248 0.014867 0.0 0.0 0.0
- -gamma 5.4 0.0
-
-#AlOH+2 80
- Al+3 + H2O = AlOH+2 + H+
- log_k -5.0
- delta_h 11.49 kcal
- -analytical -38.253 0.0 -656.27 14.327 0.0
- -gamma 5.4 0.0
-
-#Al(OH)2+ 81
- Al+3 + 2H2O = Al(OH)2+ + 2H+
- log_k -10.1
- delta_h 26.9 kcal
- -analytical 88.5 0.0 -9391.6 -27.121 0.0
- -gamma 5.4 0.0
-
-#Al(OH)3 336
- Al+3 + 3H2O = Al(OH)3 + 3H+
- log_k -16.9
- delta_h 39.89 kcal
- -analytical 226.374 0.0 -18247.8 -73.597 0.0
-
-#Al(OH)4- 82
- Al+3 + 4H2O = Al(OH)4- + 4H+
- log_k -22.7
- delta_h 42.3 kcal
- -analytical 51.578 0.0 -11168.9 -14.865 0.0
- -gamma 4.5 0.0
-
-#AlF+2 83
- Al+3 + F- = AlF+2
- log_k 7.0
- delta_h 1.06 kcal
- -gamma 5.4 0.0
-
-#AlF2+ 84
- Al+3 + 2F- = AlF2+
- log_k 12.7
- delta_h 1.98 kcal
- -gamma 5.4 0.0
-
-#AlF3 85
- Al+3 + 3F- = AlF3
- log_k 16.8
- delta_h 2.16 kcal
-
-#AlF4- 86
- Al+3 + 4F- = AlF4-
- log_k 19.4
- delta_h 2.2 kcal
- -gamma 4.5 0.0
-
-#AlSO4+ 87
- Al+3 + SO4-2 = AlSO4+
- log_k 3.5
- delta_h 2.29 kcal
- -gamma 4.5 0.0
-
-#Al(SO4)2- 88
- Al+3 + 2SO4-2 = Al(SO4)2-
- log_k 5.0
- delta_h 3.11 kcal
- -gamma 4.5 0.0
-
-#HSO4- 89
- H+ + SO4-2 = HSO4-
- log_k 1.988
- delta_h 3.85 kcal
- -analytical -56.889 0.006473 2307.9 19.8858 0.0
- -gamma 4.5 0.0
-
-#H2S secondary master species 90
- SO4-2 + 10H+ + 8e- = H2S + 4H2O
- log_k 40.644
- delta_h -65.44 kcal
-
-#HS- 91
- H2S = HS- + H+
- log_k -6.994
- delta_h 5.3 kcal
- -analytical 11.17 -0.02386 -3279.0
- -gamma 3.5 0.0
-
-#S-2 92
- HS- = S-2 + H+
- log_k -12.918
- delta_h 12.1 kcal
- -gamma 5.0 0.0
-
-#oxy 93
-# 0.5H2O = 0.25O2 + H+ + e-
-# log_k -20.780
-# delta_h 34.157000 kcal
-
-#O2 secondary master species
- 2H2O = O2 + 4H+ + 4e-
- log_k -86.08
- delta_h 134.79 kcal
-
-#H2 secondary master species
- 2 H+ + 2 e- = H2
- log_k -3.15
- delta_h -1.759 kcal
-
-#Fe(OH)2+ 102
- Fe+3 + 2H2O = Fe(OH)2+ + 2H+
- log_k -5.67
- delta_h 17.1 kcal
- -gamma 5.4 0.0
-
-#Fe(OH)3 103
- Fe+3 + 3H2O = Fe(OH)3 + 3H+
- log_k -12.56
- delta_h 24.8 kcal
-
-#Fe(OH)4- 104
- Fe+3 + 4H2O = Fe(OH)4- + 4H+
- log_k -21.6
- delta_h 31.9 kcal
- -gamma 5.4 0.0
-
-#Fe(OH)2 105
- Fe+2 + 2H2O = Fe(OH)2 + 2H+
- log_k -20.57
- delta_h 28.565 kcal
-
-#FeH2PO4+ 120
- Fe+2 + H2PO4- = FeH2PO4+
- log_k 2.7
- -gamma 5.4 0.0
-
-#CaPO4- 121
- Ca+2 + PO4-3 = CaPO4-
- log_k 6.459
- delta_h 3.1 kcal
- -gamma 5.4 0.0
-
-#CaH2PO4+ 122
- Ca+2 + H2PO4- = CaH2PO4+
- log_k 1.408
- delta_h 3.4 kcal
- -gamma 5.4 0.0
-
-#MgPO4- 123
- Mg+2 + PO4-3 = MgPO4-
- log_k 6.589
- delta_h 3.1 kcal
- -gamma 5.4 0.0
-
-#MgH2PO4+ 124
- Mg+2 + H2PO4- = MgH2PO4+
- log_k 1.513
- delta_h 3.4 kcal
- -gamma 5.4 0.0
-
-#LiSO4- 126
- Li+ + SO4-2 = LiSO4-
- log_k 0.64
- -gamma 5.0 0.0
-
-#N2 secondary master species
- 2 NO3- + 12 H+ + 10 e- = N2 + 6 H2O
- log_k 207.080
- delta_h -312.130 kcal
-
-#NH4 secondary master species 127
- NO3- + 10H+ + 8e- = NH4+ + 3H2O
- log_k 119.077
- delta_h -187.055 kcal
-
-#SrOH+ 129
- Sr+2 + H2O = SrOH+ + H+
- log_k -13.29
- -gamma 5.0 0.0
-
-#BaOH+ 130
- Ba+2 + H2O = BaOH+ + H+
- log_k -13.47
- -gamma 5.0 0.0
-
-#NH4SO4- 131
- NH4+ + SO4-2 = NH4SO4-
- log_k 1.11
- -gamma 5.0 0.0
-
-#SrCO3 135
- Sr+2 + CO3-2 = SrCO3
- log_k 2.81
- delta_h 5.22 kcal
- -analytical -1.019 0.012826 0.0 0.0 0.0
- -gamma 5.0 0.0
-
-#O2Sato 136
-# 0.5H2O = 0.25O2(aq) + H+ + e-
-# log_k -11.385
-
-#CO2 137
-# CO2 (g) + H2O = H2CO3
-# -1.468 -4.776 108.38650 0.01985076 -6919.530 -40.45154 -669365.0
-
-#FeHPO4 138
- Fe+2 + HPO4-2 = FeHPO4
- log_k 3.6
-
-#FeHPO4+ 139
- Fe+3 + HPO4-2 = FeHPO4+
- log_k 5.43
- delta_h 5.76 kcal
- -gamma 5.5 0.0
-
-#FeHSO4+ 148
- Fe+2 + HSO4- = FeHSO4+
- log_k 1.08
-
-#O2calc 151
-# 0.5H2O = 0.25O2(aq) + H+ + e-
-# log_k -20.780
-# delta_h 33.457 kcal
-
-#OH- 152
- H2O = OH- + H+
- log_k -14.0
- delta_h 13.362 kcal
- -analytical -283.971 -0.05069842 13323.0 102.24447 -1119669.0
- -gamma 3.5 0.0
-
-#FeH2PO4+2 156
- Fe+3 + H2PO4- = FeH2PO4+2
- log_k 5.43
- -gamma 5.4 0.0
-
-#FeHSO4+2 159
- Fe+3 + HSO4- = FeHSO4+2
- log_k 2.48
-
-#CaF+ 160
- Ca+2 + F- = CaF+
- log_k 0.94
- delta_h 4.12 kcal
- -gamma 5.5 0.0
-
-#BF(OH)3- 161
- H3BO3 + F- = BF(OH)3-
- log_k -0.4
- delta_h 1.85 kcal
- -gamma 2.5 0.0
-
-#BF2(OH)2- 162
- H3BO3 + H+ + 2F- = BF2(OH)2- + H2O
- log_k 7.63
- delta_h 1.618 kcal
- -gamma 2.5 0.0
-
-#BF3OH- 163
- H3BO3 + 2H+ + 3F- = BF3OH- + 2H2O
- log_k 13.67
- delta_h -1.614 kcal
- -gamma 2.5 0.0
-
-#BF4- 164
- H3BO3 + 3H+ + 4F- = BF4- + 3H2O
- log_k 20.28
- delta_h -1.846 kcal
- -gamma 2.5 0.0
-
-#FeF+2 165
- Fe+3 + F- = FeF+2
- log_k 6.2
- delta_h 2.7 kcal
- -gamma 5.0 0.0
-
-#FeF2+ 166
- Fe+3 + 2F- = FeF2+
- log_k 10.8
- delta_h 4.8 kcal
- -gamma 5.0 0.0
-
-#FeF3 167
- Fe+3 + 3F- = FeF3
- log_k 14.0
- delta_h 5.4 kcal
-
-#CaHSO4+ 168
- Ca+2 + HSO4- = CaHSO4+
- log_k 1.08
-
-#Mn+3 secondary master species 169
- Mn+2 = Mn+3 + e-
- log_k -25.51
- delta_h 25.8 kcal
- -gamma 9.0 0.0
-
-#MnCl+ 170
- Mn+2 + Cl- = MnCl+
- log_k 0.61
- -gamma 5.0 0.0
-
-#MnCl2 171
- Mn+2 + 2Cl- = MnCl2
- log_k 0.25
-
-#MnCl3- 172
- Mn+2 + 3Cl- = MnCl3-
- log_k -0.31
- -gamma 5.0 0.0
-
-#MnOH+ 173
- Mn+2 + H2O = MnOH+ + H+
- log_k -10.59
- delta_h 14.4 kcal
- -gamma 5.0 0.0
-
-#Mn(OH)3- 174
- Mn+2 + 3H2O = Mn(OH)3- + 3H+
- log_k -34.8
- -gamma 5.0 0.0
-
-#MnF+ 175
- Mn+2 + F- = MnF+
- log_k 0.84
- -gamma 5.0 0.0
-
-#MnSO4 176
- Mn+2 + SO4-2 = MnSO4
- log_k 2.25
- delta_h 3.37 kcal
-
-#Mn(NO3)2 177
- Mn+2 + 2NO3- = Mn(NO3)2
- log_k 0.6
- delta_h -0.396 kcal
-
-#MnHCO3+ 178
- Mn+2 + HCO3- = MnHCO3+
- log_k 1.95
- -gamma 5.0 0.0
-
-#MnO4- secondary master species 179
- Mn+2 + 4H2O = MnO4- + 8H+ + 5e-
- log_k -127.824
- delta_h 176.62 kcal
- -gamma 3.0 0.0
-
-#MnO4-2 secondary master species 180
- Mn+2 + 4H2O = MnO4-2 + 8H+ + 4e-
- log_k -118.44
- delta_h 150.02 kcal
- -gamma 5.0 0.0
-
-#SiF6-2 201
- H4SiO4 + 4H+ + 6F- = SiF6-2 + 4H2O
- log_k 30.18
- delta_h -16.26 kcal
- -gamma 5.0 0.0
-
-#HF 202
- H+ + F- = HF
- log_k 3.18
- delta_h 3.18 kcal
- -analytical -2.033 0.012645 429.01 0.0 0.0
-
-#HF2- 203
- H+ + 2F- = HF2-
- log_k 3.76
- delta_h 4.55 kcal
- -gamma 3.5 0.0
-
-#CuCl2- 206
-# Cu+2 + 2Cl- + e- = CuCl2-
-# log_k 8.220
-# delta_h 1.230 kcal
- Cu+ + 2Cl- = CuCl2-
- log_k 5.50
- delta_h -0.42 kcal
- -gamma 4.0 0.0
-
-#CuCl3-2 207
-# Cu+2 + 3Cl- + e- = CuCl3-2
-# log_k 8.420
-# delta_h 1.910 kcal
- Cu+ + 3Cl- = CuCl3-2
- log_k 5.70
- delta_h 0.26 kcal
- -gamma 5.0 0.0
-
-#Cu+ secondary master species 208
- Cu+2 + e- = Cu+
- log_k 2.72
- delta_h 1.65 kcal
- -gamma 2.5 0.0
-
-#CuCO3 209
- Cu+2 + CO3-2 = CuCO3
- log_k 6.73
-
-#Cu(CO3)2-2 210
- Cu+2 + 2CO3-2 = Cu(CO3)2-2
- log_k 9.83
-
-#CuCl+ 211
- Cu+2 + Cl- = CuCl+
- log_k 0.43
- delta_h 8.65 kcal
- -gamma 4.0 0.0
-
-#CuCl2 212
- Cu+2 + 2Cl- = CuCl2
- log_k 0.16
- delta_h 10.56 kcal
-
-#CuCl3- 213
- Cu+2 + 3Cl- = CuCl3-
- log_k -2.29
- delta_h 13.69 kcal
- -gamma 4.0 0.0
-
-#CuCl4-2 214
- Cu+2 + 4Cl- = CuCl4-2
- log_k -4.59
- delta_h 17.78 kcal
- -gamma 5.0 0.0
-
-#CuF+ 215
- Cu+2 + F- = CuF+
- log_k 1.26
- delta_h 1.62 kcal
-
-#CuOH+ 216
- Cu+2 + H2O = CuOH+ + H+
- log_k -8.0
- -gamma 4.0 0.0
-
-#Cu(OH)2 217
- Cu+2 + 2H2O = Cu(OH)2 + 2H+
- log_k -13.68
-
-#Cu(OH)3- 218
- Cu+2 + 3H2O = Cu(OH)3- + 3H+
- log_k -26.9
-
-#Cu(OH)4-2 219
- Cu+2 + 4H2O = Cu(OH)4-2 + 4H+
- log_k -39.6
-
-#Cu2(OH)2+2 220
- 2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+
- log_k -10.359
- delta_h 17.539 kcal
- -analytical 2.497 0.0 -3833.0 0.0 0.0
-
-#CuSO4 221
- Cu+2 + SO4-2 = CuSO4
- log_k 2.31
- delta_h 1.22 kcal
-
-#Cu(HS)3- 222
- Cu+2 + 3HS- = Cu(HS)3-
- log_k 25.9
-
-#ZnCl+ 251
- Zn+2 + Cl- = ZnCl+
- log_k 0.43
- delta_h 7.79 kcal
- -gamma 4.0 0.0
-
-#ZnCl2 252
- Zn+2 + 2Cl- = ZnCl2
- log_k 0.45
- delta_h 8.5 kcal
-
-#ZnCl3- 253
- Zn+2 + 3Cl- = ZnCl3-
- log_k 0.5
- delta_h 9.56 kcal
- -gamma 4.0 0.0
-
-#ZnCl4-2 254
- Zn+2 + 4Cl- = ZnCl4-2
- log_k 0.2
- delta_h 10.96 kcal
- -gamma 5.0 0.0
-
-#ZnF+ 255
- Zn+2 + F- = ZnF+
- log_k 1.15
- delta_h 2.22 kcal
-
-#ZnOH+ 256
- Zn+2 + H2O = ZnOH+ + H+
- log_k -8.96
- delta_h 13.4 kcal
-
-#Zn(OH)2 257
- Zn+2 + 2H2O = Zn(OH)2 + 2H+
- log_k -16.9
-
-#Zn(OH)3- 258
- Zn+2 + 3H2O = Zn(OH)3- + 3H+
- log_k -28.4
-
-#Zn(OH)4-2 259
- Zn+2 + 4H2O = Zn(OH)4-2 + 4H+
- log_k -41.2
-
-#ZnOHCl 260
- Zn+2 + H2O + Cl- = ZnOHCl + H+
- log_k -7.48
-
-#Zn(HS)2 261
- Zn+2 + 2HS- = Zn(HS)2
- log_k 14.94
-
-#Zn(HS)3- 262
- Zn+2 + 3HS- = Zn(HS)3-
- log_k 16.1
-
-#ZnSO4 263
- Zn+2 + SO4-2 = ZnSO4
- log_k 2.37
- delta_h 1.36 kcal
-
-#Zn(SO4)2-2 264
- Zn+2 + 2SO4-2 = Zn(SO4)2-2
- log_k 3.28
-
-#CdCl+ 294
- Cd+2 + Cl- = CdCl+
- log_k 1.98
- delta_h 0.59 kcal
-
-#CdCl2 295
- Cd+2 + 2Cl- = CdCl2
- log_k 2.6
- delta_h 1.24 kcal
-
-#CdCl3- 296
- Cd+2 + 3Cl- = CdCl3-
- log_k 2.4
- delta_h 3.9 kcal
-
-#CdF+ 297
- Cd+2 + F- = CdF+
- log_k 1.1
-
-#CdF2 298
- Cd+2 + 2F- = CdF2
- log_k 1.5
-
-#Cd(CO3)2-2 299
- Cd+2 + 2CO3-2 = Cd(CO3)2-2
- log_k 6.4
-
-#CdOH+ 300
- Cd+2 + H2O = CdOH+ + H+
- log_k -10.08
- delta_h 13.1 kcal
-
-#Cd(OH)2 301
- Cd+2 + 2H2O = Cd(OH)2 + 2H+
- log_k -20.35
-
-#Cd(OH)3- 302
- Cd+2 + 3H2O = Cd(OH)3- + 3H+
- log_k -33.3
-
-#Cd(OH)4-2 303
- Cd+2 + 4H2O = Cd(OH)4-2 + 4H+
- log_k -47.35
-
-#Cd2OH+3 304
- 2Cd+2 + H2O = Cd2OH+3 + H+
- log_k -9.39
- delta_h 10.9 kcal
-
-#CdOHCl 305
- Cd+2 + H2O + Cl- = CdOHCl + H+
- log_k -7.404
- delta_h 4.355 kcal
-
-#CdNO3+ 306
- Cd+2 + NO3- = CdNO3+
- log_k 0.4
- delta_h -5.2 kcal
-
-#CdSO4 307
- Cd+2 + SO4-2 = CdSO4
- log_k 2.46
- delta_h 1.08 kcal
-
-#CdHS+ 308
- Cd+2 + HS- = CdHS+
- log_k 10.17
-
-#Cd(HS)2 309
- Cd+2 + 2HS- = Cd(HS)2
- log_k 16.53
-
-#Cd(HS)3- 310
- Cd+2 + 3HS- = Cd(HS)3-
- log_k 18.71
-
-#Cd(HS)4-2 311
- Cd+2 + 4HS- = Cd(HS)4-2
- log_k 20.9
-
-#Fe(SO4)2- 333
- Fe+3 + 2SO4-2 = Fe(SO4)2-
- log_k 5.38
- delta_h 4.6 kcal
-
-#Fe2(OH)2+4 334
- 2Fe+3 + 2H2O = Fe2(OH)2+4 + 2H+
- log_k -2.95
- delta_h 13.5 kcal
-
-#Fe3(OH)4+5 335
- 3Fe+3 + 4H2O = Fe3(OH)4+5 + 4H+
- log_k -6.3
- delta_h 14.3 kcal
-
-#PbCl+ 341
- Pb+2 + Cl- = PbCl+
- log_k 1.6
- delta_h 4.38 kcal
-
-#PbCl2 342
- Pb+2 + 2Cl- = PbCl2
- log_k 1.8
- delta_h 1.08 kcal
-
-#PbCl3- 343
- Pb+2 + 3Cl- = PbCl3-
- log_k 1.7
- delta_h 2.17 kcal
-
-#PbCl4-2 344
- Pb+2 + 4Cl- = PbCl4-2
- log_k 1.38
- delta_h 3.53 kcal
-
-#Pb(CO3)2-2 345
- Pb+2 + 2CO3-2 = Pb(CO3)2-2
- log_k 10.64
-
-#PbF+ 346
- Pb+2 + F- = PbF+
- log_k 1.25
-
-#PbF2 347
- Pb+2 + 2F- = PbF2
- log_k 2.56
-
-#PbF3- 348
- Pb+2 + 3F- = PbF3-
- log_k 3.42
-
-#PbF4-2 349
- Pb+2 + 4F- = PbF4-2
- log_k 3.1
-
-#PbOH+ 350
- Pb+2 + H2O = PbOH+ + H+
- log_k -7.71
-
-#Pb(OH)2 351
- Pb+2 + 2H2O = Pb(OH)2 + 2H+
- log_k -17.12
-
-#Pb(OH)3- 352
- Pb+2 + 3H2O = Pb(OH)3- + 3H+
- log_k -28.06
-
-#Pb2OH+3 353
- 2Pb+2 + H2O = Pb2OH+3 + H+
- log_k -6.36
-
-#PbNO3+ 354
- Pb+2 + NO3- = PbNO3+
- log_k 1.17
-
-#PbSO4 355
- Pb+2 + SO4-2 = PbSO4
- log_k 2.75
-
-#Pb(HS)2 356
- Pb+2 + 2HS- = Pb(HS)2
- log_k 15.27
-
-#Pb(HS)3- 357
- Pb+2 + 3HS- = Pb(HS)3-
- log_k 16.57
-
-#Pb3(OH)4+2 358
- 3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+
- log_k -23.88
- delta_h 26.5 kcal
-
-#FeF+ 359
- Fe+2 + F- = FeF+
- log_k 1.0
-
-#AlHSO4+2 397
- Al+3 + HSO4- = AlHSO4+2
- log_k 0.46
-
-#NO2 secondary master species 400
- NO3- + 2H+ + 2e- = NO2- + H2O
- log_k 28.57
- delta_h -43.76 kcal
-
-#NiBr+ 403
- Ni+2 + Br- = NiBr+
- log_k 0.5
-
-#NiCl+ 404
- Ni+2 + Cl- = NiCl+
- log_k 0.4
-
-#NiF+ 405
- Ni+2 + F- = NiF+
- log_k 1.3
-
-#NiOH+ 406
- Ni+2 + H2O = NiOH+ + H+
- log_k -9.86
- delta_h 12.42 kcal
-
-#Ni(OH)2 407
- Ni+2 + 2H2O = Ni(OH)2 + 2H+
- log_k -19.0
-
-#Ni(OH)3- 408
- Ni+2 + 3H2O = Ni(OH)3- + 3H+
- log_k -30.0
-
-#NiSO4 409
- Ni+2 + SO4-2 = NiSO4
- log_k 2.29
- delta_h 1.52 kcal
-
-#AgBr 421
- Ag+ + Br- = AgBr
- log_k 4.24
-
-#AgBr2- 422
- Ag+ + 2Br- = AgBr2-
- log_k 7.28
-
-#AgCl 423
- Ag+ + Cl- = AgCl
- log_k 3.27
- delta_h -2.68 kcal
-
-#AgCl2- 424
- Ag+ + 2Cl- = AgCl2-
- log_k 5.27
- delta_h -3.93 kcal
-
-#AgCl3-2 425
- Ag+ + 3Cl- = AgCl3-2
- log_k 5.29
-
-#AgCl4-3 426
- Ag+ + 4Cl- = AgCl4-3
- log_k 5.51
-
-#AgF 427
- Ag+ + F- = AgF
- log_k 0.36
- delta_h -2.83 kcal
-
-#AgHS 428
- Ag+ + HS- = AgHS
- log_k 14.05
-
-#Ag(HS)2- 429
- Ag+ + 2HS- = Ag(HS)2-
- log_k 18.45
-
-#AgI 430
- Ag+ + I- = AgI
- log_k 6.6
-
-#AgI2- 431
- Ag+ + 2I- = AgI2-
- log_k 10.68
-
-#AgOH 432
- Ag+ + H2O = AgOH + H+
- log_k -12.0
-
-#Ag(OH)2- 433
- Ag+ + 2H2O = Ag(OH)2- + 2H+
- log_k -24.0
-
-#AgSO4- 434
- Ag+ + SO4-2 = AgSO4-
- log_k 1.29
- delta_h 1.49 kcal
-
-#AgNO3 435
- Ag+ + NO3- = AgNO3
- log_k -0.29
-
-#Ag(NO2)2- 436
- Ag+ + 2NO2- = Ag(NO2)2-
- log_k 2.22
-
-#ZnBr+ 447
- Zn+2 + Br- = ZnBr+
- log_k -0.58
-
-#ZnBr2 448
- Zn+2 + 2Br- = ZnBr2
- log_k -0.98
-
-#ZnI+ 449
- Zn+2 + I- = ZnI+
- log_k -2.91
-
-#ZnI2 450
- Zn+2 + 2I- = ZnI2
- log_k -1.69
-
-#CdBr+ 451
- Cd+2 + Br- = CdBr+
- log_k 2.17
- delta_h -0.81 kcal
-
-#CdBr2 452
- Cd+2 + 2Br- = CdBr2
- log_k 2.9
-
-#CdI+ 453
- Cd+2 + I- = CdI+
- log_k 2.15
- delta_h -2.37 kcal
-
-#CdI2 454
- Cd+2 + 2I- = CdI2
- log_k 3.59
-
-#PbBr+ 455
- Pb+2 + Br- = PbBr+
- log_k 1.77
- delta_h 2.88 kcal
-
-#PbBr2 456
- Pb+2 + 2Br- = PbBr2
- log_k 1.44
-
-#PbI+ 457
- Pb+2 + I- = PbI+
- log_k 1.94
-
-#PbI2 458
- Pb+2 + 2I- = PbI2
- log_k 3.2
-
-#PbCO3 468
- Pb+2 + CO3-2 = PbCO3
- log_k 7.24
-
-#Pb(OH)4-2 469
- Pb+2 + 4H2O = Pb(OH)4-2 + 4H+
- log_k -39.7
-
-#Pb(SO4)2-2 470
- Pb+2 + 2SO4-2 = Pb(SO4)2-2
- log_k 3.47
-
-#AgBr3-2 473
- Ag+ + 3Br- = AgBr3-2
- log_k 8.71
-
-#AgI3-2 474
- Ag+ + 3I- = AgI3-2
- log_k 13.37
- delta_h -27.03 kcal
-
-#AgI4-3 475
- Ag+ + 4I- = AgI4-3
- log_k 14.08
-
-#Fe(HS)2 476
- Fe+2 + 2HS- = Fe(HS)2
- log_k 8.95
-
-#Fe(HS)3- 477
- Fe+2 + 3HS- = Fe(HS)3-
- log_k 10.987
-
-#H2AsO3- 478
- H3AsO3 = H2AsO3- + H+
- log_k -9.15
- delta_h 27.54 kJ
-
-#HAsO3-2 479
- H3AsO3 = HAsO3-2 + 2H+
- log_k -23.85
- delta_h 59.41 kJ
-
-#AsO3-3 480
- H3AsO3 = AsO3-3 + 3H+
- log_k -39.55
- delta_h 84.73 kJ
-
-#H4AsO3+ 481
- H3AsO3 + H+ = H4AsO3+
- log_k -0.305
-
-#H2AsO4- 482
- H3AsO4 = H2AsO4- + H+
- log_k -2.3
- delta_h -7.066 kJ
-
-#HAsO4-2 483
- H3AsO4 = HAsO4-2 + 2H+
- log_k -9.46
- delta_h -3.846 kJ
-
-#AsO43- 484
- H3AsO4 = AsO4-3 + 3H+
- log_k -21.11
- delta_h 14.354 kJ
-
-#As3 secondary master species 487
- H3AsO4 + H2 = H3AsO3 + H2O
- log_k 22.5
- delta_h -117.480344 kJ
-
-#As3S4(HS)-2 631
- 3H3AsO3 + 6HS- + 5H+ = As3S4(HS)2- + 9H2O
- log_k 72.314
- -gamma 5.0 0.0
-
-#AsS(OH)(HS)- 637
- H3AsO3 + 2HS- + H+ = AsS(OH)(HS)- + 2H2O
- log_k 18.038
- -gamma 5.0 0.0
-
-#
-# TURNING OFF CHECKING FOR EQUATION BALANCE FOR
-# POLYSULFIDES
-#
-
-#Cu(S4)2-3 485 # Default redox will be used for the electron
-# Cu+2 + 2HS- + e- = Cu(S4)2-3 + 2H+ # (lhs) +6S
-# log_k 6.109
-# -no_check
-# -mass_balance CuS(-2)8
-# -gamma 23.0 0.0
-
-#CuS4S5-3 486 # Default redox will be used for the electron
-# Cu+2 + 2HS- + e- = CuS4S5-3 + 2H+ # (lhs) +7S
-# log_k 5.382
-# -no_check
-# -mass_balance CuS(-2)9
-# -gamma 25.0 0.0
-
-#As3/As5 487
-# H3AsO3 + H2O = H3AsO4 + 2H+ + 2e-
-# log_k -18.897
-# delta_h 30.015 kcal
-
-#S2-2 502
- HS- = S2-2 + H+ # (lhs) +S
- log_k -14.528
- delta_h 11.4 kcal
- -no_check
- -mass_balance S(-2)2
- -gamma 6.5 0.0
-
-#S3-2 503
- HS- = S3-2 + H+ # (lhs) +2S
- log_k -13.282
- delta_h 10.4 kcal
- -no_check
- -mass_balance S(-2)3
- -gamma 8.0 0.0
-
-#S4-2 504
- HS- = S4-2 + H+ # (lhs) +3S
- log_k -9.829
- delta_h 9.7 kcal
- -no_check
- -mass_balance S(-2)4
- -gamma 10.0 0.0
-
-#S5-2 505
- HS- = S5-2 + H+ # (lhs) +4S
- log_k -9.595
- delta_h 9.3 kcal
- -no_check
- -mass_balance S(-2)5
- -gamma 12.0 0.0
-
-#S6-2 506
- HS- = S6-2 + H+ # (lhs) +5S
- log_k -9.881
- -no_check
- -mass_balance S(-2)6
- -gamma 14.0 0.0
-
-#Ag(S4)2-3 507
- Ag+ + 2HS- = Ag(S4)2-3 + 2H+ # (lhs) +6S
- log_k 0.991
- -no_check
- -mass_balance AgS(-2)8
- -gamma 22.0 0.0
-
-#Ag(S4)S5-3 508
- Ag+ + 2HS- = Ag(S4)S5-3 + 2H+ # (lhs) +7S
- log_k 0.68
- -no_check
- -mass_balance AgS(-2)9
- -gamma 24.0 0.0
-
-#AgHS(S4)-2 509 # (lhs) +3S
- Ag+ + 2HS- = AgHS(S4)-2 + H+
- log_k 10.43
- -no_check
- -mass_balance AgHS(-2)5
- -gamma 15.0 0.0
-
-#
-# END OF POLYSULFIDES
-#
-
-#CuHCO3+ 510
- Cu+2 + HCO3- = CuHCO3+
- log_k 2.7
-
-#ZnHCO3+ 511
- Zn+2 + HCO3- = ZnHCO3+
- log_k 2.1
-
-#ZnCO3 512
- Zn+2 + CO3-2 = ZnCO3
- log_k 5.3
-
-#Zn(CO3)2-2 513
- Zn+2 + 2CO3-2 = Zn(CO3)2-2
- log_k 9.63
-
-#CdHCO3 514
- Cd+2 + HCO3- = CdHCO3+
- log_k 1.5
-
-#CdCO3 515
- Cd+2 + CO3-2 = CdCO3
- log_k 2.9
-
-#Cd(SO4)2-2 516
- Cd+2 + 2SO4-2 = Cd(SO4)2-2
- log_k 3.5
-
-#PbHCO3+ 517
- Pb+2 + HCO3- = PbHCO3+
- log_k 2.9
-
-#NiCl2 518
- Ni+2 + 2Cl- = NiCl2
- log_k 0.96
-
-#NiHCO3+ 519
- Ni+2 + HCO3- = NiHCO3+
- log_k 2.14
-
-#NiCO3 520
- Ni+2 + CO3-2 = NiCO3
- log_k 6.87
-
-#Ni(CO3)2-2 521
- Ni+2 + 2CO3-2 = Ni(CO3)2-2
- log_k 10.11
-
-#Ni(SO4)2-2 522
- Ni+2 + 2SO4-2 = Ni(SO4)2-2
- log_k 1.02
-
-#HFulvate 523
- H+ + Fulvate-2 = HFulvate-
- log_k 4.27
-
-#HHumate 524
- H+ + Humate-2 = HHumate-
- log_k 4.27
-
-#FeFulvate 525
- Fe+3 + Fulvate-2 = FeFulvate+
- log_k 9.4
-
-#FeHumate 526
- Fe+3 + Humate-2 = FeHumate+
- log_k 9.4
-
-#CuFulvate 527
- Cu+2 + Fulvate-2 = CuFulvate
- log_k 6.2
-
-#CuHumate 528
- Cu+2 + Humate-2 = CuHumate
- log_k 6.2
-
-#CdFulvate 529
- Cd+2 + Fulvate-2 = CdFulvate
- log_k 3.5
-
-#CdHumate 530
- Cd+2 + Humate-2 = CdHumate
- log_k 3.5
-
-#AgFulvate 531
- Ag+ + Fulvate-2 = AgFulvate-
- log_k 2.4
-
-#AgHumate 532
- Ag+ + Humate-2 = AgHumate-
- log_k 2.4
-
-#H2F2 537
- 2H+ + 2F- = H2F2
- log_k 6.768
-
-#peS/H2S 538
-# S + 2H+ + 2e- = H2S
-# 4.882 -9.5
-
-#NaF 540
- Na+ + F- = NaF
- log_k -0.24
-
-#FeCl+ 542
- Fe+2 + Cl- = FeCl+
- log_k 0.14
- -gamma 5.0 0.0
-
-#BaSO4 543
- Ba+2 + SO4-2 = BaSO4
- log_k 2.7
-
-#HSe- secondary master species 549
- SeO3-2 + 7H+ + 6e- = HSe- + 3H2O
- log_k 42.514
-
-#H2Se 544
- HSe- + H+ = H2Se
- log_k 3.8
- delta_h -5.3 kcal
-
-#SeO3-2 secondary master species 548
- SeO4-2 + 2H+ + 2e- = SeO3-2 + H2O
- log_k 30.256
-
-#H2SeO3 545
- SeO3-2 + 2H+ = H2SeO3
- log_k 11.25
-
-#HSeO3- 546
- SeO3-2 + H+ = HSeO3-
- log_k 8.5
-
-#HSeO4- 547
- SeO4-2 + H+ = HSeO4-
- log_k 1.66
- delta_h 4.91 kcal
-
-#Se4/Se6 548
-# SeO3-2 + H2O = SeO4-2 + 2H+ + 2e-
-# -30.256 0.0
-
-#Se4/Se-2 549
-# SeO3-2 + 7H+ + 6e- = HSe- + 3H2O
-# 42.514 0.0
-
-#As3/As 557
-# H3AsO3 + 3H+ + 3e- = As + 3H2O
-# 12.170 0.0
-
-#FeHCO3+ 558
- Fe+2 + HCO3- = FeHCO3+
- log_k 2.0
-
-#FeCO3 559
- Fe+2 + CO3-2 = FeCO3
- log_k 4.38
-
-#MnCO3 560
- Mn+2 + CO3-2 = MnCO3
- log_k 4.9
-
-#BaHCO3+ 561
- Ba+2 + HCO3- = BaHCO3+
- log_k 0.982
- delta_h 5.56 kcal
- -analytical -3.0938 0.013669 0.0 0.0 0.0
-
-#BaCO3 562
- Ba+2 + CO3-2 = BaCO3
- log_k 2.71
- delta_h 3.55 kcal
- -analytical 0.113 0.008721 0.0 0.0 0.0
-
-#SrSO4 563
- Sr+2 + SO4-2 = SrSO4
- log_k 2.29
- delta_h 2.08 kcal
-
-#U+4 secondary master species 565
- UO2+2 + 4H+ + 2e- = U+4 + 2H2O
- log_k 9.04
- delta_h -34.43 kcal
-
-#U+3 secondary master species 566
- U+4 + e- = U+3
- log_k -8.796
- delta_h 24.4 kcal
-
-#UOH+3 567
- U+4 + H2O = UOH+3 + H+
- log_k -0.54
- delta_h 11.21 kcal
-
-#U(OH)2+2 568
- U+4 + 2H2O = U(OH)2+2 + 2H+
- log_k -2.27
- delta_h 17.73 kcal
-
-#U(OH)3+ 569
- U+4 + 3H2O = U(OH)3+ + 3H+
- log_k -4.935
- delta_h 22.645 kcal
-
-#U(OH)4 570
- U+4 + 4H2O = U(OH)4 + 4H+
- log_k -8.498
- delta_h 24.76 kcal
-
-#U6(OH)15+9 572
- 6U+4 + 15H2O = U6(OH)15+9 + 15H+
- log_k -17.2
-
-#UF+3 578
- U+4 + F- = UF+3
- log_k 9.3
- delta_h -1.3 kcal
-
-#UF2+2 579
- U+4 + 2F- = UF2+2
- log_k 16.22
- delta_h -0.8 kcal
-
-#UF3+ 580
- U+4 + 3F- = UF3+
- log_k 21.6
- delta_h 0.1 kcal
-
-#UF4 581
- U+4 + 4F- = UF4
- log_k 25.5
- delta_h -0.87 kcal
-
-#UF5- 582
- U+4 + 5F- = UF5-
- log_k 27.01
- delta_h 4.85 kcal
-
-#UF6-2 583
- U+4 + 6F- = UF6-2
- log_k 29.1
- delta_h 3.3 kcal
-
-#UCl+3 586
- U+4 + Cl- = UCl+3
- log_k 1.72
- delta_h -4.54 kcal
-
-#USO4+2 587
- U+4 + SO4-2 = USO4+2
- log_k 6.58
- delta_h 1.9 kcal
-
-#U(SO4)2 588
- U+4 + 2SO4-2 = U(SO4)2
- log_k 10.5
- delta_h 7.8 kcal
-
-#U(CO3)4-4 589
- U+4 + 4CO3-2 = U(CO3)4-4
- log_k 32.9
-
-#U(CO3)5-6 590
- U+4 + 5CO3-2 = U(CO3)5-6
- log_k 34.0
- delta_h 20.0 kcal
-
-#UO2+ secondary master species 595
- UO2+2 + e- = UO2+
- log_k 1.49
- delta_h -3.3 kcal
-
-#UO2OH+ 596
- UO2+2 + H2O = UO2OH+ + H+
- log_k -5.2
- delta_h 11.015 kcal
-
-#(UO2)2(OH)2+2 597
- 2UO2+2 + 2H2O = (UO2)2(OH)2+2 + 2H+
- log_k -5.62
- delta_h 10.23 kcal
-
-#(UO2)3(OH)5+ 598
- 3UO2+2 + 5H2O = (UO2)3(OH)5+ + 5H+
- log_k -15.55
- delta_h 25.075 kcal
-
-#UO2CO3 603
- UO2+2 + CO3-2 = UO2CO3
- log_k 9.63
- delta_h 1.2 kcal
-
-#UO2(CO3)2-2 604
- UO2+2 + 2CO3-2 = UO2(CO3)2-2
- log_k 17.0
- delta_h 4.42 kcal
-
-#UO2(CO3)3-4 605
- UO2+2 + 3CO3-2 = UO2(CO3)3-4
- log_k 21.63
- delta_h -9.13 kcal
-
-#UO2F+ 607
- UO2+2 + F- = UO2F+
- log_k 5.09
- delta_h 0.41 kcal
-
-#UO2F2 608
- UO2+2 + 2F- = UO2F2
- log_k 8.62
- delta_h 0.5 kcal
-
-#UO2F3- 609
- UO2+2 + 3F- = UO2F3-
- log_k 10.9
- delta_h 0.56 kcal
-
-#UO2F4-2 610
- UO2+2 + 4F- = UO2F4-2
- log_k 11.7
- delta_h 0.07 kcal
-
-#UO2Cl+ 611
- UO2+2 + Cl- = UO2Cl+
- log_k 0.17
- delta_h 1.9 kcal
-
-#UO2SO4 612
- UO2+2 + SO4-2 = UO2SO4
- log_k 3.15
- delta_h 4.7 kcal
-
-#UO2(SO4)2-2 613
- UO2+2 + 2SO4-2 = UO2(SO4)2-2
- log_k 4.14
- delta_h 8.4 kcal
-
-#UO2HPO4 614
- UO2+2 + PO4-3 + H+ = UO2HPO4
- log_k 20.21
- delta_h -2.1 kcal
-
-#UO2(HPO4)2-2 615
- UO2+2 + 2PO4-3 + 2H+ = UO2(HPO4)2-2
- log_k 43.441
- delta_h -11.8 kcal
-
-#UO2H2PO4+ 616
- UO2+2 + PO4-3 + 2H+ = UO2H2PO4+
- log_k 22.87
- delta_h -3.7 kcal
-
-#UO2H2PO4)2 617
- UO2+2 + 2PO4-3 + 4H+ = UO2(H2PO4)2
- log_k 44.38
- delta_h -16.5 kcal
-
-#UO2H2PO4)3- 618
- UO2+2 + 3PO4-3 + 6H+ = UO2(H2PO4)3-
- log_k 66.245
- delta_h -28.6 kcal
-
-#UBr+3 633
- U+4 + Br- = UBr+3
- log_k 1.5
-
-#UI+3 634
- U+4 + I- = UI+3
- log_k 1.3
-
-#UNO3+3 635
- U+4 + NO3- = UNO3+3
- log_k 1.47
-
-#U(NO3)2+2 636
- U+4 + 2NO3- = U(NO3)2+2
- log_k 2.3
-
-#UO2(OH)3- 638
- UO2+2 + 3H2O = UO2(OH)3- + 3H+
- log_k -19.2
-
-#UO2(OH)4-2 639
- UO2+2 + 4H2O = UO2(OH)4-2 + 4H+
- log_k -33.0
-
-#(UO2)2OH+3 640
- 2UO2+2 + H2O = (UO2)2OH+3 + H+
- log_k -2.7
-
-#(UO2)3(OH)4+2 641
- 3UO2+2 + 4H2O = (UO2)3(OH)4+2 + 4H+
- log_k -11.9
-
-#(UO2)3(OH)7- 642
- 3UO2+2 + 7H2O = (UO2)3(OH)7- + 7H+
- log_k -31.0
-
-#(UO2)4(OH)7+ 643
- 4UO2+2 + 7H2O = (UO2)4(OH)7+ + 7H+
- log_k -21.9
-
-#UO2Cl2 644
- UO2+2 + 2Cl- = UO2Cl2
- log_k -1.1
- delta_h 3.6 kcal
-
-#UO2Br+ 645
- UO2+2 + Br- = UO2Br+
- log_k 0.22
-
-#UO2NO3+ 646
- UO2+2 + NO3- = UO2NO3+
- log_k 0.3
-
-#UO2H3PO4+2 647
- UO2+2 + PO4-3 + 3H+ = UO2H3PO4+2
- log_k 22.813
-
-#(UO2)3(CO3)6-6 648
- 3UO2+2 + 6CO3-2 = (UO2)3(CO3)6-6
- log_k 54.0
-
-#UO2PO4- 649
- UO2+2 + PO4-3 = UO2PO4-
- log_k 13.69
-
-#UO2(CO3)3-5 650
-# UO2+2 + 3CO3-2 + e- = UO2(CO3)3-5
-# log_k 8.920
- UO2+ + 3CO3-2 = UO2(CO3)3-5
- log_k 7.43
- delta_h 3.33 kcal
-
-PHASES
-
-H2O(g)
- H2O = H2O
- log_k 1.51
- delta_h -44.03 kJ
-# Stumm and Morgan, from NBS and Robie, Hemmingway, and Fischer (1978)
-
-Siderite(d)(3) 9
- FeCO3 = Fe+2 + CO3-2
- log_k -10.45
-
-Magnesite 10
- MgCO3 = Mg+2 + CO3-2
- log_k -8.029
- delta_h -6.169 kcal
-
-Dolomite(d) 11
- CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2
- log_k -16.54
- delta_h -11.09 kcal
-
-Calcite 12
- CaCO3 = Ca+2 + CO3-2
- log_k -8.48
- delta_h -2.297 kcal
- -analytical -171.9065 -0.077993 2839.319 71.595 0.0
-
-Anhydrite 17
- CaSO4 = Ca+2 + SO4-2
- log_k -4.36
- delta_h -1.71 kcal
- -analytical 197.52 0.0 -8669.8 -69.835 0.0
-
-Gypsum 18
- CaSO4:2H2O = Ca+2 + SO4-2 + 2H2O
- log_k -4.58
- delta_h -0.109 kcal
- -analytical 68.2401 0.0 -3221.51 -25.0627 0.0
-
-Brucite 19
- Mg(OH)2 + 2H+ = Mg+2 + 2H2O
- log_k 16.84
- delta_h -27.1 kcal
-
-Chrysotile 20
- Mg3Si2O5(OH)4 + 6H+ = 3Mg+2 + 2H4SiO4 + H2O
- log_k 32.2
- delta_h -46.8 kcal
- -analytical 13.248 0.0 10217.1 -6.1894 0.0
-
-Aragonite 21
- CaCO3 = Ca+2 + CO3-2
- log_k -8.336
- delta_h -2.589 kcal
- -analytical -171.9773 -0.077993 2903.293 71.595 0.0
-
-Forsterite 27
- Mg2SiO4 + 4H+ = 2Mg+2 + H4SiO4
- log_k 28.306
- delta_h -48.578 kcal
-
-Diopside 28
- CaMgSi2O6 + 4H+ + 2H2O = Ca+2 + Mg+2 + 2H4SiO4
- log_k 19.894
- delta_h -32.348 kcal
-
-Clinoenstatite 29
- MgSiO3 + 2H+ + H2O = Mg+2 + H4SiO4
- log_k 11.342
- delta_h -20.049 kcal
-
-Tremolite 31
- Ca2Mg5Si8O22(OH)2+14H+ +8H2O = 2Ca+2 +5Mg+2 +8H4SiO4
- log_k 56.574
- delta_h -96.853 kcal
-
-Sepiolite 36
- Mg2Si3O7.5OH:3H2O+0.5H2O+4H+ = 2Mg+2 +3H4SiO4
- log_k 15.76
- delta_h -10.7 kcal
-
-Talc 37
- Mg3Si4O10(OH)2+4H2O+6H+=3Mg+2 +4H4SiO4
- log_k 21.399
- delta_h -46.352 kcal
-
-Hydromagnesite 38
- Mg5(CO3)4(OH)2:4H2O + 2H+ = 5Mg+2 + 4CO3-2 + 6H2O
- log_k -8.762
- delta_h -52.244 kcal
-
-Adularia 39
- KAlSi3O8 + 8H2O = K+ + Al(OH)4- + 3H4SiO4
- log_k -20.573
- delta_h 30.82 kcal
-
-Albite 40
- NaAlSi3O8 + 8H2O = Na+ + Al(OH)4- + 3H4SiO4
- log_k -18.002
- delta_h 25.896 kcal
-
-Anorthite 41
- CaAl2Si2O8 + 8H2O = Ca+2 + 2Al(OH)4- + 2H4SiO4
- log_k -19.714
- delta_h 11.58 kcal
-
-Analcime 42
- NaAlSi2O6:H2O + 5H2O = Na+ + Al(OH)4- + 2H4SiO4
- log_k -12.701
- delta_h 18.206 kcal
-
-Kmica 43
- KAl3Si3O10(OH)2+10H+=K+ +3Al+3 +3H4SiO4
- log_k 12.703
- delta_h -59.376 kcal
-
-Phlogopite 44
- KMg3AlSi3O10(OH)2 + 10H+ = K+ + 3Mg+2 + Al+3 + 3H4SiO4
- log_k 43.3
- delta_h -42.30 kcal
-
-Illite 45
- K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2H2O = 0.6K+ +0.25Mg+2 + 2.3Al(OH)4- + 3.5H4SiO4 + 1.2H+
- log_k -40.267
- delta_h 54.684 kcal
-
-Kaolinite 46
- Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O
- log_k 7.435
- delta_h -35.3 kcal
-
-Halloysite 47
- Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O
- log_k 12.498
- delta_h -39.920 kcal
-
-Beidellite 48
- (NaKMg0.5)0.11Al2.33Si3.67O10(OH)2 + 12H2O = 0.11Na+ + 0.11K+ + 0.055Mg+2 + 2.33Al(OH)4- + 3.67H4SiO4 + 2H+
- log_k -45.272
- delta_h 60.355 kcal
-
-Chlorite14A 49
- Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 + 3H4SiO4 + 6H2O
- log_k 68.38
- delta_h -151.494 kcal
-
-Alunite 50
- KAl3(SO4)2(OH)6 + 6H+ = K+ + 3Al+3 + 2SO4-2 + 6H2O
- log_k -1.4
- delta_h -50.25 kcal
-
-Gibbsite 51
- Al(OH)3 + 3H+ = Al+3 + 3H2O
- log_k 8.11
- delta_h -22.8 kcal
-
-Boehmite 52
- AlOOH + 3H+ = Al+3 + 2H2O
- log_k 8.584
- delta_h -28.181 kcal
-
-Pyrophyllite 53
- Al2Si4O10(OH)2 + 12H2O = 2Al(OH)4- + 4H4SiO4 + 2H+
- log_k -48.314
-
-Phillipsite 54
- Na0.5K0.5AlSi3O8:H2O + 7H2O = 0.5Na+ +0.5K+ + Al(OH)4- + 3H4SiO4
- log_k -19.874
-
-Nahcolite 58
- NaHCO3 = Na+ + HCO3-
- log_k -0.548
- delta_h 3.720 kcal
-
-Trona 59
- NaHCO3:Na2CO3:2H2O = 2H2O + 3Na+ + CO3-2 + HCO3-
- log_k -0.795
- delta_h -18.0 kcal
-
-Natron 60
- Na2CO3:10H2O = 2Na+ + CO3-2 + 10H2O
- log_k -1.311
- delta_h 15.745 kcal
-
-Thermonatrite 61
- Na2CO3:H2O = 2Na+ + CO3-2 + H2O
- log_k 0.125
- delta_h -2.802 kcal
-
-Fluorite 62
- CaF2 = Ca+2 + 2F-
- log_k -10.6
- delta_h 4.69 kcal
- -analytical 66.348 0.0 -4298.2 -25.271 0.0
-
-Montmorillonite-Ca 63
- Ca0.165Al2.33Si3.67O10(OH)2 + 12H2O = 0.165Ca+2 + 2.33Al(OH)4- + 3.67H4SiO4 + 2H+
- log_k -45.027
- delta_h 58.373 kcal
-
-Halite 64
- NaCl = Na+ + Cl-
- log_k 1.582
- delta_h 0.918 kcal
-
-Thenardite 65
- Na2SO4 = 2Na+ + SO4-2
- log_k -0.179
- delta_h -0.572 kcal
-
-Mirabilite 66
- Na2SO4:10H2O = 2Na+ + SO4-2 + 10H2O
- log_k -1.114
- delta_h 18.987 kcal
-
-Mackinawite 67
- FeS + H+ = Fe+2 + HS-
- log_k -4.648
-
-Siderite 94
- FeCO3 = Fe+2 + CO3-2
- log_k -10.89
- delta_h -2.48 kcal
-
-Hydroxyapatite 95
- Ca5(PO4)3OH + 4H+ = 5Ca+2 + 3HPO4-2 + H2O
- log_k -3.421
- delta_h -36.155 kcal
-
-Fluorapatite 96
- Ca5(PO4)3F + 3H+ = 5Ca+2 + 3HPO4-2 + F-
- log_k -17.6
- delta_h -20.070 kcal
-
-Chalcedony 97
- SiO2 + 2H2O = H4SiO4
- log_k -3.55
- delta_h 4.72 kcal
- -analytical -0.09 0.0 -1032.0 0.0 0.0
-
-Magadiite 98
- NaSi7O13(OH)3:3H2O + H+ + 9H2O = Na+ + 7H4SiO4
- log_k -14.3
-
-Cristobalite 99
- SiO2 + 2H2O = H4SiO4
- log_k -3.587
- delta_h 5.5 kcal
-
-Silicagel 100
- SiO2 + 2H2O = H4SiO4
- log_k -3.018
- delta_h 4.440 kcal
-
-Quartz 101
- SiO2 + 2H2O = H4SiO4
- log_k -3.98
- delta_h 5.99 kcal
- -analytical 0.41 0.0 -1309.0 0.0 0.0
-
-Vivianite 106
- Fe3(PO4)2:8H2O = 3Fe+2 + 2PO4-3 + 8H2O
- log_k -36.0
-
-Magnetite 107
- Fe3O4 + 8H+ = 2Fe+3 + Fe+2 + 4H2O
- log_k 3.737
- delta_h -50.460 kcal
-
-Hematite 108
- Fe2O3 + 6H+ = 2Fe+3 + 3H2O
- log_k -4.008
- delta_h -30.845 kcal
-
-Maghemite 109
- Fe2O3 + 6H+ = 2Fe+3 + 3H2O
- log_k 6.386
-
-Goethite 110
- FeOOH + 3H+ = Fe+3 + 2H2O
- log_k -1.0
- delta_h -14.48 kcal
-
-Greenalite 111
- Fe3Si2O5(OH)4 + 6H+ = 3Fe+2 + 2 H4SiO4 + H2O
- log_k 20.810
-
-Fe(OH)3(a) 112
- Fe(OH)3 + 3H+ = Fe+3 + 3H2O
- log_k 4.891
-
-Annite 113
- KFe3AlSi3O10(OH)2 + 10H2O = K+ + 3Fe+2 + Al(OH)4- + 3H4SiO4 + 6OH-
- log_k -85.645
- delta_h 62.480 kcal
-
-Pyrite 114
- FeS2 + 2H+ + 2e- = Fe+2 + 2HS-
- log_k -18.479
- delta_h 11.3 kcal
-
-Montmorillonite-BelleFourche 115
- (HNaK)0.09Mg0.29Fe0.24Al1.57Si3.93O10(OH)2 + 10H2O = 0.09H+ + 0.09Na+ + 0.09K+ + 0.29Mg+2 + 0.24Fe+3 + 1.57Al(OH)4- + 3.93H4SiO4
- log_k -34.913
-
-Montmorillonite-Aberdeen 116
- (HNaK)0.14Mg0.45Fe0.33Al1.47Si3.82O10(OH)2 + 9.16H2O + 0.84H+ = 0.14H+ + 0.14Na+ + 0.14K+ + 0.45Mg+2 + 0.33Fe+3 + 1.47Al(OH)4- + 3.82H4SiO4
- log_k -29.688
-
-Huntite 117
- CaMg3(CO3)4 = 3Mg+2 + Ca+2 + 4CO3-2
- log_k -29.968
- delta_h -25.760 kcal
-
-Greigite 118
- Fe3S4 + 4H+ = 2Fe+3 + Fe+2 + 4HS-
- log_k -45.035
-
-FeS(ppt) 119
- FeS + H+ = Fe+2 + HS-
- log_k -3.915
-
-Chlorite7A 125
- Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 +3H4SiO4 + 6H2O
- log_k 71.752
- delta_h -155.261 kcal
-
-Laumontite 128
- CaAl2Si4O12:4H2O + 8H2O = Ca+2 + 2Al(OH)4- + 4H4SiO4
- log_k -30.960
- delta_h 39.610 kcal
-
-Jarosite(ss) 133
- (K0.77Na0.03H0.2)Fe3(SO4)2(OH)6 + 5.8H+ = 0.77K+ + 0.03Na+ + 3Fe+3 + 2SO4-2 + 6H2O
- log_k -9.83 # WATEQ4F, Alpers and others, 1989
-
-
-Mn2(SO4)3 134
- Mn2(SO4)3 = 2Mn+3 + 3SO4-2
- log_k -5.711
- delta_h -39.060 kcal
-
-Al(OH)3(a) 140
- Al(OH)3 + 3H+ = Al+3 + 3H2O
- log_k 10.8
- delta_h -26.5 kcal
-
-Prehnite 141
- Ca2Al2Si3O10(OH)2 + 8H2O + 2H+ = 2Ca+2 + 2Al(OH)4- + 3H4SiO4
- log_k -11.695
- delta_h 10.390 kcal
-
-Strontianite 142
- SrCO3 = Sr+2 + CO3-2
- log_k -9.271
- delta_h -0.4 kcal
- -analytical 155.0305 0.0 -7239.594 -56.58638 0.0
-
-Celestite 143
- SrSO4 = Sr+2 + SO4-2
- log_k -6.63
- delta_h -1.037 kcal
- -analytical -14805.9622 -2.4660924 756968.533 5436.3588 -40553604.
-
-Barite 144
- BaSO4 = Ba+2 + SO4-2
- log_k -9.97
- delta_h 6.35 kcal
- -analytical 136.035 0.0 -7680.41 -48.595 0.0
-
-Witherite 145
- BaCO3 = Ba+2 + CO3-2
- log_k -8.562
- delta_h 0.703 kcal
- -analytical 607.642 0.121098 -20011.25 -236.4948 0.0
-
-Strengite 146
- FePO4:2H2O = Fe+3 + PO4-3 + 2H2O
- log_k -26.4
- delta_h -2.030 kcal
-
-Leonhardite 147
- Ca2Al4Si8O24:7H2O + 17H2O = 2Ca+2 + 4Al(OH)4- + 8H4SiO4
- log_k -69.756
- delta_h 90.070 kcal
-
-Nesquehonite 149
- MgCO3:3H2O = Mg+2 + CO3-2 + 3H2O
- log_k -5.621
- delta_h -5.789 kcal
-
-Artinite 150
- MgCO3:Mg(OH)2:3H2O + 2H+ = 2Mg+2 + CO3-2 + 5H2O
- log_k 9.6
- delta_h -28.742 kcal
-
-Sepiolite(d) 153
- Mg2Si3O7.5OH:3H2O+0.5H2O+4H+=2Mg+2 +3H4SiO4
- log_k 18.66
-
-Diaspore 154
- AlOOH + 3H+ = Al+3 + 2H2O
- log_k 6.879
- delta_h -24.681 kcal
-
-Wairakite 155
- CaAl2Si4O12:2H2O + 10H2O = Ca+2 + 2Al(OH)4- + 4H4SiO4
- log_k -26.708
- delta_h 26.140 kcal
-
-Fe(OH)2.7Cl.3 181
- Fe(OH)2.7Cl0.3 + 2.7H+ = Fe+3 + 2.7H2O + 0.3 Cl-
- log_k -3.040
-
-MnSO4 182
- MnSO4 = Mn+2 + SO4-2
- log_k 2.669
- delta_h -15.480 kcal
-
-Pyrolusite 183
- MnO2 + 4H+ + 2e- = Mn+2 + 2H2O
- log_k 41.38
- delta_h -65.11 kcal
-
-Birnessite 184
- MnO2 + 4H+ + 2e- = Mn+2 + 2H2O
- log_k 43.601
-
-Nsutite 185
- MnO2 + 4H+ + 2e- = Mn+2 + 2H2O
- log_k 42.564
-
-Bixbyite 186
- Mn2O3 + 6H+ = 2Mn+3 + 3H2O
- log_k -0.611
- delta_h -15.245 kcal
-
-Hausmannite 187
- Mn3O4 + 8H+ + 2e- = 3Mn+2 + 4H2O
- log_k 61.03
- delta_h -100.64 kcal
-
-Pyrochroite 188
- Mn(OH)2 + 2H+ = Mn+2 + 2H2O
- log_k 15.2
-
-Manganite 189
- MnOOH + 3H+ + e- = Mn+2 + 2H2O
- log_k 25.340
-
-Rhodochrosite(d) 190
- MnCO3 = Mn+2 + CO3-2
- log_k -10.390
-
-MnCl2:4H2O 191
- MnCl2:4H2O = Mn+2 + 2Cl- + 4H2O
- log_k 2.710
- delta_h 17.380 kcal
-
-MnS(Green) 192
- MnS + H+ = Mn+2 + HS-
- log_k 3.8
- delta_h -5.790 kcal
-
-Mn3(PO4)2 193
- Mn3(PO4)2 = 3Mn+2 + 2PO4-3
- log_k -23.827
- delta_h 2.120 kcal
-
-MnHPO4 194
- MnHPO4 = Mn+2 + HPO4-2
- log_k -12.947
-
-Jarosite-Na 204
- NaFe3(SO4)2(OH)6 + 6H+ = Na+ + 3Fe+3 + 2SO4-2 + 6H2O
- log_k -5.280
- delta_h -36.180 kcal
-
-Jarosite-K 205
- KFe3(SO4)2(OH)6 + 6H+ = K+ + 3Fe+3 + 2SO4-2 + 6H2O
- log_k -9.21
- delta_h -31.28 kcal
-
-CuMetal 223
- Cu = Cu+ + e-
- log_k -8.760
- delta_h 17.130 kcal
-
-Nantokite 224
- CuCl = Cu+ + Cl-
- log_k -6.760
- delta_h 9.980 kcal
-
-CuF 225
- CuF = Cu+ + F-
- log_k 7.080
- delta_h -12.370 kcal
-
-Cuprite 226
- Cu2O + 2H+ = 2Cu+ + H2O
- log_k -1.550
- delta_h 6.245 kcal
-
-Chalcocite 227
- Cu2S + H+ = 2Cu+ + HS-
- log_k -34.619
- delta_h 49.350 kcal
-
-Cu2SO4 228
- Cu2SO4 = 2Cu+ + SO4-2
- log_k -1.950
- delta_h -4.560 kcal
-
-CuprousFerrite 229
- CuFeO2 + 4H+ = Cu+ + Fe+3 + 2H2O
- log_k -8.920
- delta_h -3.8 kcal
-
-Melanothallite 230
- CuCl2 = Cu+2 + 2Cl-
- log_k 3.730
- delta_h -12.320 kcal
-
-CuCO3 231
- CuCO3 = Cu+2 + CO3-2
- log_k -9.630
-
-CuF2 232
- CuF2 = Cu+2 + 2F-
- log_k -0.620
- delta_h -13.320 kcal
-
-CuF2:2H2O 233
- CuF2:2H2O = Cu+2 + 2F- + 2H2O
- log_k -4.550
- delta_h -3.650 kcal
-
-Cu(OH)2 234
- Cu(OH)2 + 2H+ = Cu+2 + 2H2O
- log_k 8.640
- delta_h -15.250 kcal
-
-Malachite 235
- Cu2(OH)2CO3 + 3H+ = 2Cu+2 + 2H2O + HCO3-
- log_k 5.150
- delta_h -19.760 kcal
-
-Azurite 236
- Cu3(OH)2(CO3)2 + 4H+ = 3Cu+2 + 2H2O + 2HCO3-
- log_k 3.750
- delta_h -30.870 kcal
-
-Atacamite 237
- Cu2(OH)3Cl + 3H+ = 2Cu+2 + 3H2O + Cl-
- log_k 7.340
- delta_h -18.690 kcal
-
-Cu2(OH)3NO3 238
- Cu2(OH)3NO3 + 3H+ = 2Cu+2 + 3H2O + NO3-
- log_k 9.240
- delta_h -17.350 kcal
-
-Antlerite 239
- Cu3(OH)4SO4 + 4H+ = 3Cu+2 + 4H2O + SO4-2
- log_k 8.290
-
-Brochantite 240
- Cu4(OH)6SO4 + 6H+ = 4Cu+2 + 6H2O + SO4-2
- log_k 15.340
-
-Langite 241
- Cu4(OH)6SO4:H2O + 6H+ = 4Cu+2 + 7H2O + SO4-2
- log_k 16.790
- delta_h -39.610 kcal
-
-Tenorite 242
- CuO + 2H+ = Cu+2 + H2O
- log_k 7.620
- delta_h -15.240 kcal
-
-CuOCuSO4 243
- CuO:CuSO4 + 2H+ = 2Cu+2 + H2O + SO4-2
- log_k 11.530
- delta_h -35.575 kcal
-
-Cu3(PO4)2 244
- Cu3(PO4)2 = 3Cu+2 + 2PO4-3
- log_k -36.850
-
-Cu3(PO4)2:3H2O 245
- Cu3(PO4)2:3H2O = 3Cu+2 + 2PO4-3 + 3H2O
- log_k -35.120
-
-Covellite 246
- CuS + H+ = Cu+2 + HS-
- log_k -22.270
- delta_h 24.010 kcal
-
-CuSO4 247
- CuSO4 = Cu+2 + SO4-2
- log_k 3.010
- delta_h -18.140 kcal
-
-Chalcanthite 248
- CuSO4:5H2O = Cu+2 + SO4-2 + 5H2O
- log_k -2.640
- delta_h 1.440 kcal
-
-CupricFerrite 249
- CuFe2O4 + 8H+ = Cu+2 + 2Fe+3 + 4H2O
- log_k 5.880
- delta_h -38.690 kcal
-
-Chalcopyrite 250
- CuFeS2 + 2H+ = Cu+2 + Fe+2 + 2HS-
- log_k -35.270
- delta_h 35.480 kcal
-
-ZnMetal 265
- Zn = Zn+2 + 2e-
- log_k 25.757
- delta_h -36.780 kcal
-
-Zn(BO2)2 266
- Zn(BO2)2 + 2H2O + 2H+ = Zn+2 + 2H3BO3
- log_k 8.290
-
-ZnCl2 267
- ZnCl2 = Zn+2 + 2Cl-
- log_k 7.030
- delta_h -17.480 kcal
-
-Smithsonite 268
- ZnCO3 = Zn+2 + CO3-2
- log_k -10.0
- delta_h -4.36 kcal
-
-ZnCO3:H2O 269
- ZnCO3:H2O = Zn+2 + CO3-2 + H2O
- log_k -10.260
-
-ZnF2 270
- ZnF2 = Zn+2 + 2F-
- log_k -1.520
- delta_h -13.080 kcal
-
-Zn(OH)2-a 271
- Zn(OH)2 + 2H+ = Zn+2 + 2H2O
- log_k 12.450
-
-Zn(OH)2-c 272
- Zn(OH)2 + 2H+ = Zn+2 + 2H2O
- log_k 12.2
-
-Zn(OH)2-b 273
- Zn(OH)2 + 2H+ = Zn+2 + 2H2O
- log_k 11.750
-
-Zn(OH)2-g 274
- Zn(OH)2 + 2H+ = Zn+2 + 2H2O
- log_k 11.710
-
-Zn(OH)2-e 275
- Zn(OH)2 + 2H+ = Zn+2 + 2H2O
- log_k 11.5
-
-Zn2(OH)3Cl 276
- Zn2(OH)3Cl + 3H+= 2Zn+2 + 3H2O + Cl-
- log_k 15.2
-
-Zn5(OH)8Cl2 277
- Zn5(OH)8Cl2 + 8H+ = 5Zn+2 + 8H2O + 2Cl-
- log_k 38.5
-
-Zn2(OH)2SO4 278
- Zn2(OH)2SO4 + 2H+ = 2Zn+2 + 2H2O + SO4-2
- log_k 7.5
-
-Zn4(OH)6SO4 279
- Zn4(OH)6SO4 + 6H+ = 4Zn+2 + 6H2O + SO4-2
- log_k 28.4
-
-Zn(NO3)2:6H2O 280
- Zn(NO3)2:6H2O = Zn+2 + 2NO3- + 6H2O
- log_k 3.440
- delta_h 5.510 kcal
-
-ZnO(a) 281
- ZnO + 2H+ = Zn+2 + H2O
- log_k 11.310
-
-Zincite(c) 282
- ZnO + 2H+ = Zn+2 + H2O
- log_k 11.140
- delta_h -21.860 kcal
-
-Zn3O(SO4)2 283
- ZnO:2ZnSO4 + 2H+ = 3Zn+2 + 2SO4-2 + H2O
- log_k 19.020
- delta_h -62.0 kcal
-
-Zn3(PO4)2:4w 284
- Zn3(PO4)2:4H2O = 3Zn+2 + 2PO4-3 + 4H2O
- log_k -32.040
-
-ZnS(a) 285
- ZnS + H+ = Zn+2 + HS-
- log_k -9.052
- delta_h 3.670 kcal
-
-Sphalerite 286
- ZnS + H+ = Zn+2 + HS-
- log_k -11.618
- delta_h 8.25 kcal
-
-Wurtzite 287
- ZnS + H+ = Zn+2 + HS-
- log_k -9.682
- delta_h 5.060 kcal
-
-ZnSiO3 288
- ZnSiO3 + 2H+ + H2O = Zn+2 + H4SiO4
- log_k 2.930
- delta_h -18.270 kcal
-
-Willemite 289
- Zn2SiO4 + 4H+ = 2Zn+2 + H4SiO4
- log_k 15.33
- delta_h -33.37 kcal
-
-Zincosite 290
- ZnSO4 = Zn+2 + SO4-2
- log_k 3.010
- delta_h -19.2 kcal
-
-ZnSO4:H2O 291
- ZnSO4:H2O = Zn+2 + SO4-2 + H2O
- log_k -0.570
- delta_h -10.640 kcal
-
-Bianchite 292
- ZnSO4:6H2O = Zn+2 + SO4-2 + 6H2O
- log_k -1.765
- delta_h -0.160 kcal
-
-Goslarite 293
- ZnSO4:7H2O = Zn+2 + SO4-2 + 7H2O
- log_k -1.960
- delta_h 3.3 kcal
-
-CdMetal 312
- Cd = Cd+2 + 2e-
- log_k 13.490
- delta_h -18.0 kcal
-
-Cd(gamma) 313
- Cd = Cd+2 + 2e-
- log_k 13.590
- delta_h -18.140 kcal
-
-Cd(BO2)2 314
- Cd(BO2)2 + 2H2O + 2H+ = Cd+2 + 2H3BO3
- log_k 9.840
-
-Otavite 315
- CdCO3 = Cd+2 + CO3-2
- log_k -12.1
- delta_h -0.019 kcal
-
-CdCl2 316
- CdCl2 = Cd+2 + 2Cl-
- log_k -0.68
- delta_h -4.47 kcal
-
-CdCl2:H2O 317
- CdCl2:H2O = Cd+2 + 2Cl- + H2O
- log_k -1.71
- delta_h -1.82 kcal
-
-CdCl2:2.5H2O 318
- CdCl2:2.5H2O = Cd+2 + 2Cl- + 2.5H2O
- log_k -1.940
- delta_h 1.710 kcal
-
-CdF2 319
- CdF2 = Cd+2 + 2F-
- log_k -2.980
- delta_h -9.720 kcal
-
-Cd(OH)2(a) 320
- Cd(OH)2 + 2H+ = Cd+2 + 2H2O
- log_k 13.730
- delta_h -20.770 kcal
-
-Cd(OH)2 321
- Cd(OH)2 + 2H+ = Cd+2 + 2H2O
- log_k 13.65
-
-CdOHCl 322
- CdOHCl + H+ = Cd+2 + H2O + Cl-
- log_k 3.520
- delta_h -7.407 kcal
-
-Cd3(OH)4SO4 323
- Cd3(OH)4SO4 + 4H+ = 3Cd+2 + 4H2O + SO4-2
- log_k 22.560
-
-Cd3(OH)2(SO4)2 324
- Cd3(OH)2(SO4)2 + 2H+ = 3Cd+2 + 2H2O + 2SO4-2
- log_k 6.710
-
-Cd4(OH)6SO4 325
- Cd4(OH)6SO4 + 6H+ = 4Cd+2 + 6H2O + SO4-2
- log_k 28.4
-
-Monteponite 326
- CdO + 2H+ = Cd+2 + H2O
- log_k 13.770
- delta_h -24.760 kcal
-
-Cd3(PO4)2 327
- Cd3(PO4)2 = 3Cd+2 + 2PO4-3
- log_k -32.6
-
-CdSiO3 328
- CdSiO3 + H2O + 2H+ = Cd+2 + H4SiO4
- log_k 9.06
- delta_h -16.63 kcal
-
-CdSO4 329
- CdSO4 = Cd+2 + SO4-2
- log_k -0.1
- delta_h -14.74 kcal
-
-CdSO4:H2O 330
- CdSO4:H2O = Cd+2 + SO4-2 + H2O
- log_k -1.657
- delta_h -7.520 kcal
-
-CdSO4:2.7H2O 331
- CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67H2O
- log_k -1.873
- delta_h -4.3 kcal
-
-Greenockite 332
- CdS + H+ = Cd+2 + HS-
- log_k -15.930
- delta_h 16.360 kcal
-
-JarositeH 337
- (H3O)Fe3(SO4)2(OH)6 + 5H+ = 3Fe+3 + 2SO4-2 + 7H2O
- log_k -5.390
- delta_h -55.150 kcal
-
-AlumK 338
- KAl(SO4)2:12H2O = K+ + Al+3 + 2SO4-2 + 12H2O
- log_k -5.170
- delta_h 7.220 kcal
-
-Melanterite 339
- FeSO4:7H2O = Fe+2 + SO4-2 + 7H2O
- log_k -2.209
- delta_h 4.91 kcal
- -analytical 1.447 -0.004153 0.0 0.0 -214949.0
-
-Epsomite 340
- MgSO4:7H2O = Mg+2 + SO4-2 + 7H2O
- log_k -2.140
- delta_h 2.820 kcal
-
-PbMetal 360
- Pb = Pb+2 + 2e-
- log_k 4.270
- delta_h 0.4 kcal
-
-Pb(BO2)2 361
- Pb(BO2)2 + 2H2O + 2H+ = Pb+2 + 2H3BO3
- log_k 7.610
- delta_h -5.8 kcal
-
-Cotunnite 362
- PbCl2 = Pb+2 + 2Cl-
- log_k -4.770
- delta_h 5.6 kcal
-
-Matlockite 363
- PbClF = Pb+2 + Cl- + F-
- log_k -9.430
- delta_h 7.950 kcal
-
-Phosgenite 364
- PbCl2:PbCO3 = 2Pb+2 + 2Cl- + CO3-2
- log_k -19.810
-
-Cerussite 365
- PbCO3 = Pb+2 + CO3-2
- log_k -13.13
- delta_h 4.86 kcal
-
-PbF2 366
- PbF2 = Pb+2 + 2F-
- log_k -7.440
- delta_h -0.7 kcal
-
-Massicot 367
- PbO + 2H+ = Pb+2 + H2O
- log_k 12.910
- delta_h -16.780 kcal
-
-Litharge 368
- PbO + 2H+ = Pb+2 + H2O
- log_k 12.720
- delta_h -16.380 kcal
-
-PbO:0.3H2O 369
- PbO:0.33H2O + 2H+ = Pb+2 + 1.33H2O
- log_k 12.980
-
-Pb2OCO3 370
- PbO:PbCO3 + 2H+ = 2Pb+2 + CO3-2 + H2O
- log_k -0.5
- delta_h -11.460 kcal
-
-Larnakite 371
- PbO:PbSO4 + 2H+ = 2Pb+2 + SO4-2 + H2O
- log_k -0.280
- delta_h -6.440 kcal
-
-Pb3O2SO4 372
- PbSO4:2PbO + 4H+ = 3Pb+2 + SO4-2 + 2H2O
- log_k 10.4
- delta_h -20.750 kcal
-
-Pb4O3SO4 373
- PbSO4:3PbO + 6H+ = 4Pb+2 + SO4-2 + 3H2O
- log_k 22.1
- delta_h -35.070 kcal
-
-PbHPO4 374
- PbHPO4 = Pb+2 + HPO4-2
- log_k -11.460
- delta_h 7.040 kcal
-
-Pb3(PO4)2 375
- Pb3(PO4)2 + 2H+ = 3Pb+2 + 2HPO4-2
- log_k -19.670
- delta_h -1.670 kcal
-
-Clpyromorphite 376
- Pb5(PO4)3Cl = 5Pb+2 + 3PO4-3 + Cl-
- log_k -84.430
-
-Hxypyromorphite 377
- Pb5(PO4)3OH + H+ = 5Pb+2 + 3PO4-3 + H2O
- log_k -62.790
-
-Pb3O2CO3 378
- PbCO3:2PbO + 4H+ = 3Pb+2 + CO3-2 + 2H2O
- log_k 11.020
- delta_h -26.430 kcal
-
-Plumbogummite 379
- PbAl3(PO4)2(OH)5:H2O + 5H+ = Pb+2 + 3Al+3 + 2PO4-3 + 6H2O
- log_k -32.790
-
-Hinsdalite 380
- PbAl3PO4SO4(OH)6 + 6H+ = Pb+2 + 3Al+3 + PO4-3 + SO4-2 + 6H2O
- log_k -2.5
-
-Tsumebite 381
- Pb2CuPO4(OH)3:3H2O + 3H+ = 2Pb+2 + Cu+2 + PO4-3 + 6H2O
- log_k -9.790
-
-PbSiO3 382
- PbSiO3 + H2O + 2H+ = Pb+2 + H4SiO4
- log_k 7.320
- delta_h -9.260 kcal
-
-Pb2SiO4 383
- Pb2SiO4 + 4H+ = 2Pb+2 + H4SiO4
- log_k 19.760
- delta_h -26.0 kcal
-
-Anglesite 384
- PbSO4 = Pb+2 + SO4-2
- log_k -7.79
- delta_h 2.15 kcal
-
-Galena 385
- PbS + H+ = Pb+2 + HS-
- log_k -12.780
- delta_h 19.4 kcal
-
-Plattnerite 386
- PbO2 + 4H+ + 2e- = Pb+2 + 2H2O
- log_k 49.3
- delta_h -70.730 kcal
-
-Pb2O3 387
- Pb2O3 + 6H+ + 2e- = 2Pb+2 + 3H2O
- log_k 61.040
-
-Minium 388
- Pb3O4 + 8H+ + 2e- = 3Pb+2 + 4H2O
- log_k 73.690
- delta_h -102.760 kcal
-
-Pb(OH)2 389
- Pb(OH)2 + 2H+ = Pb+2 + 2H2O
- log_k 8.15
- delta_h -13.99 kcal
-
-Laurionite 390
- PbOHCl + H+ = Pb+2 + Cl- + H2O
- log_k 0.623
-
-Pb2(OH)3Cl 391
- Pb2(OH)3Cl + 3H+ = 2Pb+2 + 3H2O + Cl-
- log_k 8.793
-
-Hydrocerussite 392
- Pb(OH)2:2PbCO3 + 2H+ = 3Pb+2 + 2CO3-2 + 2H2O
- log_k -17.460
-
-Pb2O(OH)2 393
- PbO:Pb(OH)2 + 4H+ = 2Pb+2 + 3H2O
- log_k 26.2
-
-Pb4(OH)6SO4 394
- Pb4(OH)6SO4 + 6H+ = 4Pb+2 + SO4-2 + 6H2O
- log_k 21.1
-
-SiO2(a) 395
- SiO2 + 2H2O = H4SiO4
- log_k -2.71
- delta_h 3.34 kcal
- -analytical -0.26 0.0 -731.0 0.0 0.0
-
-FCO3Apatite 396
- Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316Ca+2 + 0.36Na+ + 0.144Mg+2 + 4.8PO4-3 + 1.2CO3-2 + 2.48F-
- log_k -114.4
- delta_h 39.390 kcal
-
-BaF2 398
- BaF2 = Ba+2 + 2F-
- log_k -5.760
- delta_h 1.0 kcal
-
-SrF2 399
- SrF2 = Sr+2 + 2F-
- log_k -8.540
- delta_h 1.250 kcal
-
-Dolomite 401
- CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2
- log_k -17.09
- delta_h -9.436 kcal
-
-Sulfur 402
- S + 2e- = S-2
- log_k -15.026
- delta_h 7.9 kcal
-
-NiCO3 410
- NiCO3 = Ni+2 + CO3-2
- log_k -6.840
- delta_h -9.940 kcal
-
-Ni(OH)2 411
- Ni(OH)2 + 2H+ = Ni+2 + 2H2O
- log_k 10.8
- delta_h 30.450 kcal
-
-Ni4(OH)6SO4 412
- Ni4(OH)6SO4 + 6H+ = 4Ni+2 + SO4-2 + 6H2O
- log_k 32.0
-
-Bunsenite 413
- NiO + 2H+ = Ni+2 + H2O
- log_k 12.450
- delta_h -23.920 kcal
-
-Ni3(PO4)2 414
- Ni3(PO4)2 = 3Ni+2 + 2PO4-3
- log_k -31.3
-
-Millerite 415
- NiS + H+ = Ni+2 + HS-
- log_k -8.042
- delta_h 2.5 kcal
-
-Retgersite 416
- NiSO4:6H2O = Ni+2 + SO4-2 + 6H2O
- log_k -2.040
- delta_h 1.1 kcal
-
-Morenosite 417
- NiSO4:7H2O = Ni+2 + SO4-2 + 7H2O
- log_k -2.360
- delta_h 2.940 kcal
-
-Ni2SiO4 418
- Ni2SiO4 + 4H+ = 2Ni+2 + H4SiO4
- log_k 14.540
- delta_h -33.360 kcal
-
-Fe3(OH)8 419
- Fe3(OH)8 + 8H+ = 2Fe+3 + Fe+2 + 8H2O
- log_k 20.222
-
-Dioptase 420
- CuSiO3:H2O + 2H+ = Cu+2 + H4SiO4
- log_k 6.5
- delta_h -8.960 kcal
-
-AgMetal 437
- Ag = Ag+ + e-
- log_k -13.510
- delta_h 25.234 kcal
-
-Bromyrite 438
- AgBr = Ag+ + Br-
- log_k -12.270
- delta_h 20.170 kcal
-
-Cerargyrite 439
- AgCl = Ag+ + Cl-
- log_k -9.750
- delta_h 15.652 kcal
-
-Ag2CO3 440
- Ag2CO3 = 2Ag+ + CO3-2
- log_k -11.070
- delta_h 9.530 kcal
-
-AgF:4H2O 441
- AgF:4H2O = Ag+ + F- + 4H2O
- log_k 0.550
- delta_h 4.270 kcal
-
-Iodyrite 442
- AgI = Ag+ + I-
- log_k -16.070
- delta_h 26.820 kcal
-
-Ag2O 443
- Ag2O + 2H+ = 2Ag+ + H2O
- log_k 12.580
- delta_h -10.430 kcal
-
-Ag3PO4 444
- Ag3PO4 = 3Ag+ + PO4-3
- log_k -17.550
-
-Acanthite 445
- Ag2S + H+ = 2Ag+ + HS-
- log_k -36.050
- delta_h 53.3 kcal
-
-Ag2SO4 446
- Ag2SO4 = 2Ag+ + SO4-2
- log_k -4.920
- delta_h 4.250 kcal
-
-CuBr 459
- CuBr = Cu+ + Br-
- log_k -8.210
- delta_h 13.080 kcal
-
-CuI 460
- CuI = Cu+ + I-
- log_k -11.890
- delta_h 20.140 kcal
-
-ZnBr2:2H2O 461
- ZnBr2:2H2O = Zn+2 + 2Br- + 2H2O
- log_k 5.210
- delta_h -7.510 kcal
-
-ZnI2 462
- ZnI2 = Zn+2 + 2I-
- log_k 7.230
- delta_h -13.440 kcal
-
-CdBr2:4H2O 463
- CdBr2:4H2O = Cd+2 + 2Br- + 4H2O
- log_k -2.420
- delta_h 7.230 kcal
-
-CdI2 464
- CdI2 = Cd+2 + 2I-
- log_k -3.610
- delta_h 4.080 kcal
-
-PbBr2 465
- PbBr2 = Pb+2 + 2Br-
- log_k -5.180
- delta_h 8.1 kcal
-
-PbBrF 466
- PbBrF = Pb+2 + Br- + F-
- log_k -8.490
-
-PbI2 467
- PbI2 = Pb+2 + 2I-
- log_k -8.070
- delta_h 15.160 kcal
-
-Jurbanite 471
- AlOHSO4 + H+ = Al+3 + SO4-2 + H2O
- log_k -3.230
-
-Basaluminite 472
- Al4(OH)10SO4 + 10H+ = 4Al+3 + SO4-2 + 10H2O
- log_k 22.7
-
-As_native 557
- As + 3H2O = H3AsO3 + 3H+ + 3e-
- log_k -12.532
- delta_h 115.131 kJ
-
-As2O5(cr) 488
- As2O5 + 3H2O = 2H3AsO4
- log_k 8.228
- delta_h -31.619 kJ
-
-AlAsO4:2H2O 489
- AlAsO4:2H2O = Al+3 + AsO4-3 + 2H2O
- log_k -15.837
-
-Ca3(AsO4)2:4w 490
- Ca3(AsO4)2:4H2O = 3Ca+2 + 2AsO4-3 + 4H2O
- log_k -18.905
-
-Cu3(AsO4)2:6w 491
- Cu3(AsO4)2:6H2O = 3Cu+2 + 2AsO4-3 + 6H2O
- log_k -35.123
-
-Scorodite 492
- FeAsO4:2H2O = Fe+3 + AsO4-3 + 2H2O
- log_k -20.249
-
-Mn3(AsO4)2:8H2O 493
- Mn3(AsO4)2:8H2O = 3Mn+2 + 2AsO4-3 + 8H2O
- log_k -28.707
-
-Ni3(AsO4)2:8H2O 494
- Ni3(AsO4)2:8H2O = 3Ni+2 + 2AsO4-3 + 8H2O
- log_k -25.511
-
-Pb3(AsO4)2 495
- Pb3(AsO4)2 = 3Pb+2 + 2AsO4-3
- log_k -35.403
-
-Zn3(AsO4)2:2.5w 496
- Zn3(AsO4)2:2.5H2O = 3Zn+2 + 2AsO4-3 + 2.5H2O
- log_k -27.546
-
-Arsenolite 497
-# As4O6 + 6H2O = 4H3AsO3
-# log_k -2.801
-# delta_h 14.330 kcal
- As2O3 + 3H2O = 2H3AsO3
- log_k -1.38
- delta_h 30.041 kJ
-
-Claudetite 498
-# As4O6 + 6H2O = 4H3AsO3
-# log_k -3.065
-# delta_h 13.290 kcal
- As2O3 + 3H2O = 2H3AsO3
- log_k -1.34
- delta_h 28.443 kJ
-
-AsI3 499
- AsI3 + 3H2O = H3AsO3 + 3I- + 3H+
- log_k 4.155
- delta_h 1.875 kcal
-
-Orpiment 500
- As2S3 + 6H2O = 2H3AsO3 + 3HS- + 3H+
-# log_k -60.971
-# delta_h 82.890 kcal
- log_k -46.3
- delta_h 263.1 kJ
-
-As2S3(am) 132
- As2S3 + 6H2O = 2H3AsO3 + 3HS- + 3H+
- log_k -44.9
- delta_h 244.2 kJ
-
-Realgar 501
- AsS + 3H2O = H3AsO3 + HS- + 2H+ + e-
-# log_k -19.747
-# delta_h 30.545 kcal
- log_k -19.944
- delta_h 129.2625 kJ
-
-BlaubleiI 533
- Cu0.9Cu0.2S + H+ = 0.9Cu+2 + 0.2Cu+ + HS-
- log_k -24.162
-
-BlaubleiII 534
- Cu0.6Cu0.8S + H+ = 0.6Cu+2 + 0.8Cu+ + HS-
- log_k -27.279
-
-Anilite 535
- Cu0.25Cu1.5S + H+ = 0.25Cu+2 + 1.5Cu+ + HS-
- log_k -31.878
- delta_h 43.535 kcal
-
-Djurleite 536
- Cu0.066Cu1.868S + H+ = 0.066Cu+2 + 1.868Cu+ + HS-
- log_k -33.920
- delta_h 47.881 kcal
-
-Portlandite 539
- Ca(OH)2 + 2H+ = Ca+2 + 2H2O
- log_k 22.8
- delta_h -31.0 kcal
-
-Ba3(AsO4)2 541
- Ba3(AsO4)2 = 3Ba+2 + 2AsO4-3
- log_k -50.110
- delta_h 9.5 kcal
-
-Se(s) 550
- Se + H+ + 2e- = HSe-
- log_k -17.322
-
-#SemetalSe4 551
-# Se + 3H2O = SeO3-2 + 6H+ + 4e-
-# log_k -59.836
-
-FeSe2 552
- FeSe2 + 2H+ + 2e- = Fe+2 + 2HSe-
- log_k -18.580
-
-SeO2 553
- SeO2 + H2O = SeO3-2 + 2H+
- log_k -8.380
-
-CaSeO3 554
- CaSeO3 = Ca+2 + SeO3-2
- log_k -5.6
-
-BaSeO3 555
- BaSeO3 = Ba+2 + SeO3-2
- log_k -6.390
-
-Fe2(SeO3)3 556
- Fe2(SeO3)3 = 2Fe+3 + 3SeO3-2
- log_k -35.430
-
-Rhodochrosite 564
- MnCO3 = Mn+2 + CO3-2
- log_k -11.13
- delta_h -1.43 kcal
-
-Na4UO2(CO3)3 571
- Na4UO2(CO3)3 = 4Na+ + UO2+2 + 3CO3-2
- log_k -16.290
-
-Uraninite(c) 573
- UO2 + 4H+ = U+4 + 2H2O
- log_k -4.8
- delta_h -18.610 kcal
-
-UO2(a) 574
- UO2 + 4H+ = U+4 + 2H2O
- log_k 0.1
-
-U4O9(c) 575
- U4O9 + 18H+ + 2e- = 4U+4 + 9H2O
- log_k -3.384
- delta_h -101.235 kcal
-
-U3O8(c) 576
- U3O8 + 16H+ + 4e- = 3U+4 + 8H2O
- log_k 20.530
- delta_h -116.0 kcal
-
-Coffinite 577
- USiO4 + 4H+ = U+4 + H4SiO4
- log_k -7.670
- delta_h -11.6 kcal
-
-UF4(c) 584
- UF4 = U+4 + 4F-
- log_k -18.606
- delta_h -18.9 kcal
-
-UF4:2.5H2O 585
- UF4:2.5H2O = U+4 + 4F- + 2.5H2O
- log_k -27.570
- delta_h -0.588 kcal
-
-U(OH)2SO4 591
- U(OH)2SO4 + 2H+ = U+4 + SO4-2 + 2H2O
- log_k -3.2
-
-UO2HPO4:4H2O 592
- UO2HPO4:4H2O = UO2+2 + HPO4-2 + 4H2O
- log_k -11.850
-
-U(HPO4)2:4H2O 593
- U(HPO4)2:4H2O = U+4 + 2PO4-3 + 2H+ + 4H2O
- log_k -55.3
- delta_h 3.840 kcal
-
-Ningyoite 594
- CaU(PO4)2:2H2O = U+4 + Ca+2 + 2PO4-3 + 2H2O
- log_k -53.906
- delta_h -2.270 kcal
-
-UO3(gamma) 599
- UO3 + 2H+ = UO2+2 + H2O
- log_k 7.719
- delta_h -19.315 kcal
-
-Gummite 600
- UO3 + 2H+ = UO2+2 + H2O
- log_k 10.403
- delta_h -23.015 kcal
-
-B-UO2(OH)2 601
- UO2(OH)2 + 2H+ = UO2+2 + 2H2O
- log_k 5.544
- delta_h -13.730 kcal
-
-Schoepite 602
- UO2(OH)2:H2O + 2H+ = UO2+2 + 3H2O
- log_k 5.404
- delta_h -12.045 kcal
-
-Rutherfordine 606
- UO2CO3 = UO2+2 + CO3-2
- log_k -14.450
- delta_h -1.440 kcal
-
-(UO2)3(PO4)2:4w 619
- (UO2)3(PO4)2:4H2O = 3UO2+2 + 2PO4-3 + 4H2O
- log_k -37.4
- delta_h 41.5 kcal
-
-H-Autunite 620
- H2(UO2)2(PO4)2 = 2H+ + 2UO2+2 + 2PO4-3
- log_k -47.931
- delta_h -3.6 kcal
-
-Na-Autunite 621
- Na2(UO2)2(PO4)2 = 2Na+ + 2UO2+2 + 2PO4-3
- log_k -47.409
- delta_h -0.460 kcal
-
-K-Autunite 622
- K2(UO2)2(PO4)2 = 2K+ + 2UO2+2 + 2PO4-3
- log_k -48.244
- delta_h 5.860 kcal
-
-Uramphite 623
- (NH4)2(UO2)2(PO4)2 = 2NH4+ + 2UO2+2 + 2PO4-3
- log_k -51.749
- delta_h 9.7 kcal
-
-Saleeite 624
- Mg(UO2)2(PO4)2 = Mg+2 + 2UO2+2 + 2PO4-3
- log_k -43.646
- delta_h -20.180 kcal
-
-Autunite 625
- Ca(UO2)2(PO4)2 = Ca+2 + 2UO2+2 + 2PO4-3
- log_k -43.927
- delta_h -14.340 kcal
-
-Sr-Autunite 626
- Sr(UO2)2(PO4)2 = Sr+2 + 2UO2+2 + 2PO4-3
- log_k -44.457
- delta_h -13.050 kcal
-
-Uranocircite 627
- Ba(UO2)2(PO4)2 = Ba+2 + 2UO2+2 + 2PO4-3
- log_k -44.631
- delta_h -10.1 kcal
-
-Bassetite 628
- Fe(UO2)2(PO4)2 = Fe+2 + 2UO2+2 + 2PO4-3
- log_k -44.485
- delta_h -19.9 kcal
-
-Torbernite 629
- Cu(UO2)2(PO4)2 = Cu+2 + 2UO2+2 + 2PO4-3
- log_k -45.279
- delta_h -15.9 kcal
-
-Przhevalskite 630
- Pb(UO2)2(PO4)2 = Pb+2 + 2UO2+2 + 2PO4-3
- log_k -44.365
- delta_h -11.0 kcal
-
-Uranophane 632
- Ca(UO2)2(SiO3OH)2 + 6H+ = Ca+2 + 2UO2+2 + 2H4SiO4
- log_k 17.489
-
-CO2(g)
- CO2 = CO2
- log_k -1.468
- delta_h -4.776 kcal
- -analytical 108.3865 0.01985076 -6919.53 -40.45154 669365.0
-
-O2(g)
- O2 = O2
-# log_k -2.960
-# delta_h -1.844 kcal
- # log K from llnl.dat Aug 23, 2005
- log_k -2.8983
- -analytic -7.5001e+000 7.8981e-003 0.0000e+000 0.0000e+000 2.0027e+005
-
-H2(g)
- H2 = H2
- log_k -3.150
- delta_h -1.759 kcal
-
-N2(g)
- N2 = N2
- log_k -3.260
- delta_h -1.358 kcal
-
-H2S(g)
- H2S = H2S
- log_k -0.997
- delta_h -4.570 kcal
-
-CH4(g)
- CH4 = CH4
- log_k -2.860
- delta_h -3.373 kcal
-
-NH3(g)
- NH3 = NH3
- log_k 1.770
- delta_h -8.170 kcal
-
-EXCHANGE_MASTER_SPECIES
- X X-
-
-EXCHANGE_SPECIES
- X- = X-
- log_k 0.0
-
- Na+ + X- = NaX
- log_k 0.0
-
- K+ + X- = KX
- log_k 0.7
-
- Li+ + X- = LiX
- log_k -0.08
-
- H+ + X- = HX
- log_k 1.0
-
- NH4+ + X- = NH4X
- log_k 0.6
-
- Ca+2 + 2X- = CaX2
- log_k 0.8
-
- Mg+2 + 2X- = MgX2
- log_k 0.6
-
- Sr+2 + 2X- = SrX2
- log_k 0.91
-
- Ba+2 + 2X- = BaX2
- log_k 0.91
-
- Mn+2 + 2X- = MnX2
- log_k 0.52
-
- Fe+2 + 2X- = FeX2
- log_k 0.44
-
- Cu+2 + 2X- = CuX2
- log_k 0.6
-
- Zn+2 + 2X- = ZnX2
- log_k 0.8
-
- Cd+2 + 2X- = CdX2
- log_k 0.8
-
- Pb+2 + 2X- = PbX2
- log_k 1.05
-
- Al+3 + 3X- = AlX3
- log_k 0.67
-
-SURFACE_MASTER_SPECIES
- Hfo_s Hfo_sOH
- Hfo_w Hfo_wOH
-SURFACE_SPECIES
-# All surface data from
-# Dzombak and Morel, 1990
-#
-#
-# Acid-base data from table 5.7
-#
-# strong binding site--Hfo_s,
-
- Hfo_sOH = Hfo_sOH
- log_k 0.0
-
- Hfo_sOH + H+ = Hfo_sOH2+
- log_k 7.29 # = pKa1,int
-
- Hfo_sOH = Hfo_sO- + H+
- log_k -8.93 # = -pKa2,int
-
-# weak binding site--Hfo_w
-
- Hfo_wOH = Hfo_wOH
- log_k 0.0
-
- Hfo_wOH + H+ = Hfo_wOH2+
- log_k 7.29 # = pKa1,int
-
- Hfo_wOH = Hfo_wO- + H+
- log_k -8.93 # = -pKa2,int
-
-###############################################
-# CATIONS #
-###############################################
-#
-# Cations from table 10.1 or 10.5
-#
-# Calcium
- Hfo_sOH + Ca+2 = Hfo_sOHCa+2
- log_k 4.97
-
- Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+
- log_k -5.85
-# Strontium
- Hfo_sOH + Sr+2 = Hfo_sOHSr+2
- log_k 5.01
-
- Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+
- log_k -6.58
-
- Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+
- log_k -17.60
-# Barium
- Hfo_sOH + Ba+2 = Hfo_sOHBa+2
- log_k 5.46
-
- Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+
- log_k -7.2 # table 10.5
-#
-# Cations from table 10.2
-#
-# Silver
- Hfo_sOH + Ag+ = Hfo_sOAg + H+
- log_k -1.72
-
- Hfo_wOH + Ag+ = Hfo_wOAg + H+
- log_k -5.3 # table 10.5
-# Nickel
- Hfo_sOH + Ni+2 = Hfo_sONi+ + H+
- log_k 0.37
-
- Hfo_wOH + Ni+2 = Hfo_wONi+ + H+
- log_k -2.5 # table 10.5
-# Cadmium
- Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+
- log_k 0.47
-
- Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+
- log_k -2.91
-# Zinc
- Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+
- log_k 0.99
-
- Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+
- log_k -1.99
-# Copper
- Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+
- log_k 2.89
-
- Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+
- log_k 0.6 # table 10.5
-# Lead
- Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+
- log_k 4.65
-
- Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+
- log_k 0.3 # table 10.5
-#
-# Derived constants table 10.5
-#
-# Magnesium
- Hfo_wOH + Mg+2 = Hfo_wOMg+ + H+
- log_k -4.6
-
-# Manganese
- Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+
- log_k -0.4 # table 10.5
-
- Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+
- log_k -3.5 # table 10.5
-
-# Uranyl
- Hfo_sOH + UO2+2 = Hfo_sOUO2+ + H+
- log_k 5.2 # table 10.5
-
- Hfo_wOH + UO2+2 = Hfo_wOUO2+ + H+
- log_k 2.8 # table 10.5
-
-# Iron
-# Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+
-# log_k 0.7 # LFER using table 10.5
-
-# Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+
-# log_k -2.5 # LFER using table 10.5
-
-
-# Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, subm.
- Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+
- log_k -0.95
-# Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M
- Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+
- log_k -2.98
-
- Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2H+
- log_k -11.55
-
-###############################################
-# ANIONS #
-###############################################
-#
-# Anions from table 10.6
-#
-# Phosphate
- Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O
- log_k 31.29
-
- Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O
- log_k 25.39
-
- Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O
- log_k 17.72
-# Arsenate
- Hfo_wOH + AsO4-3 + 3H+ = Hfo_wH2AsO4 + H2O
- log_k 29.31
-
- Hfo_wOH + AsO4-3 + 2H+ = Hfo_wHAsO4- + H2O
- log_k 23.51
-
- Hfo_wOH + AsO4-3 = Hfo_wOHAsO4-3
- log_k 10.58
-#
-# Anions from table 10.7
-#
-# Arsenite
- Hfo_wOH + H3AsO3 = Hfo_wH2AsO3 + H2O
- log_k 5.41
-# Borate
- Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O
- log_k 0.62
-#
-# Anions from table 10.8
-#
-# Sulfate
- Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O
- log_k 7.78
-
- Hfo_wOH + SO4-2 = Hfo_wOHSO4-2
- log_k 0.79
-# Selenate
- Hfo_wOH + SeO4-2 + H+ = Hfo_wSeO4- + H2O
- log_k 7.73
-
- Hfo_wOH + SeO4-2 = Hfo_wOHSeO4-2
- log_k 0.80
-# Selenite
- Hfo_wOH + SeO3-2 + H+ = Hfo_wSeO3- + H2O
- log_k 12.69
-
- Hfo_wOH + SeO3-2 = Hfo_wOHSeO3-2
- log_k 5.17
-#
-# Derived constants table 10.10
-#
- Hfo_wOH + F- + H+ = Hfo_wF + H2O
- log_k 8.7
-
- Hfo_wOH + F- = Hfo_wOHF-
- log_k 1.6
-#
-# Carbonate: Van Geen et al., 1994 reoptimized for HFO
-# 0.15 g HFO/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L
-#
- Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O
- log_k 12.56
-
- Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O
- log_k 20.62
-
-RATES
-###########
-#Quartz
-###########
-#
-#######
-# Example of quartz kinetic rates block:
-# KINETICS
-# Quartz
-# -m0 158.8 # 90 % Qu
-# -parms 0.146 1.5
-# -step 3.1536e8 in 10
-# -tol 1e-12
-
-Quartz
- -start
-1 REM Specific rate k from Rimstidt and Barnes, 1980, GCA 44,1683
-2 REM k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol
-3 REM sp. rate * parm(2) due to salts (Dove and Rimstidt, MSA Rev. 29, 259)
-4 REM PARM(1) = Specific area of Quartz, m^2/mol Quartz
-5 REM PARM(2) = salt correction: (1 + 1.5 * c_Na (mM)), < 35
-
-10 dif_temp = 1/TK - 1/298
-20 pk_w = 13.7 + 4700.4 * dif_temp
-40 moles = PARM(1) * M0 * PARM(2) * (M/M0)^0.67 * 10^-pk_w * (1 - SR("Quartz"))
-# Integrate...
-50 SAVE moles * TIME
- -end
-
-###########
-#K-feldspar
-###########
-#
-# Sverdrup and Warfvinge, 1995, Estimating field weathering rates
-# using laboratory kinetics: Reviews in mineralogy and geochemistry,
-# vol. 31, p. 485-541.
-#
-# As described in:
-# Appelo and Postma, 2005, Geochemistry, groundwater
-# and pollution, 2nd Edition: A.A. Balkema Publishers,
-# p. 162-163 and 395-399.
-#
-# Assume soil is 10% K-feldspar by mass in 1 mm spheres (radius 0.05 mm)
-# Assume density of rock and Kspar is 2600 kg/m^3 = 2.6 kg/L
-# GFW Kspar 0.278 kg/mol
-#
-# Moles of Kspar per liter pore space calculation:
-# Mass of rock per liter pore space = 0.7*2.6/0.3 = 6.07 kg rock/L pore space
-# Mass of Kspar per liter pore space 6.07x0.1 = 0.607 kg Kspar/L pore space
-# Moles of Kspar per liter pore space 0.607/0.278 = 2.18 mol Kspar/L pore space
-#
-# Specific area calculation:
-# Volume of sphere 4/3 x pi x r^3 = 5.24e-13 m^3 Kspar/sphere
-# Mass of sphere 2600 x 5.24e-13 = 1.36e-9 kg Kspar/sphere
-# Moles of Kspar in sphere 1.36e-9/0.278 = 4.90e-9 mol Kspar/sphere
-# Surface area of one sphere 4 x pi x r^2 = 3.14e-8 m^2/sphere
-# Specific area of K-feldspar in sphere 3.14e-8/4.90e-9 = 6.41 m^2/mol Kspar
-#
-#
-# Example of KINETICS data block for K-feldspar rate:
-# KINETICS 1
-# K-feldspar
-# -m0 2.18 # 10% Kspar, 0.1 mm cubes
-# -m 2.18 # Moles per L pore space
-# -parms 6.41 0.1 # m^2/mol Kspar, fraction adjusts lab rate to field rate
-# -time 1.5 year in 40
-
-K-feldspar
- -start
-1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
-2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar
-3 REM PARM(2) = Adjusts lab rate to field rate
-4 REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
-5 REM K-Feldspar parameters
-10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3
-20 RESTORE 10
-30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
-40 DATA 3500, 2000, 2500, 2000
-50 RESTORE 40
-60 READ e_H, e_H2O, e_OH, e_CO2
-70 pk_CO2 = 13
-80 n_CO2 = 0.6
-100 REM Generic rate follows
-110 dif_temp = 1/TK - 1/281
-120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
-130 REM rate by H+
-140 pk_H = pk_H + e_H * dif_temp
-150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
-160 REM rate by hydrolysis
-170 pk_H2O = pk_H2O + e_H2O * dif_temp
-180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC)
-190 REM rate by OH-
-200 pk_OH = pk_OH + e_OH * dif_temp
-210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH
-220 REM rate by CO2
-230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp
-240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2
-250 rate = rate_H + rate_H2O + rate_OH + rate_CO2
-260 area = PARM(1) * M0 *(M/M0)^0.67
-270 rate = PARM(2) * area * rate * (1-SR("K-feldspar"))
-280 moles = rate * TIME
-290 SAVE moles
- -end
-
-
-###########
-#Albite
-###########
-#
-# Sverdrup and Warfvinge, 1995, Estimating field weathering rates
-# using laboratory kinetics: Reviews in mineralogy and geochemistry,
-# vol. 31, p. 485-541.
-#
-# As described in:
-# Appelo and Postma, 2005, Geochemistry, groundwater
-# and pollution, 2nd Edition: A.A. Balkema Publishers,
-# p. 162-163 and 395-399.
-#
-# Example of KINETICS data block for Albite rate:
-# KINETICS 1
-# Albite
-# -m0 0.46 # 2% Albite, 0.1 mm cubes
-# -m 0.46 # Moles per L pore space
-# -parms 6.04 0.1 # m^2/mol Albite, fraction adjusts lab rate to field rate
-# -time 1.5 year in 40
-#
-# Assume soil is 2% Albite by mass in 1 mm spheres (radius 0.05 mm)
-# Assume density of rock and Albite is 2600 kg/m^3 = 2.6 kg/L
-# GFW Albite 0.262 kg/mol
-#
-# Moles of Albite per liter pore space calculation:
-# Mass of rock per liter pore space = 0.7*2.6/0.3 = 6.07 kg rock/L pore space
-# Mass of Albite per liter pore space 6.07x0.02 = 0.121 kg Albite/L pore space
-# Moles of Albite per liter pore space 0.607/0.262 = 0.46 mol Albite/L pore space
-#
-# Specific area calculation:
-# Volume of sphere 4/3 x pi x r^3 = 5.24e-13 m^3 Albite/sphere
-# Mass of sphere 2600 x 5.24e-13 = 1.36e-9 kg Albite/sphere
-# Moles of Albite in sphere 1.36e-9/0.262 = 5.20e-9 mol Albite/sphere
-# Surface area of one sphere 4 x pi x r^2 = 3.14e-8 m^2/sphere
-# Specific area of Albite in sphere 3.14e-8/5.20e-9 = 6.04 m^2/mol Albite
-
-Albite
- -start
-1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
-2 REM PARM(1) = Specific area of Albite m^2/mol Albite
-3 REM PARM(2) = Adjusts lab rate to field rate
-4 REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
-5 REM Albite parameters
-10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3
-20 RESTORE 10
-30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
-40 DATA 3500, 2000, 2500, 2000
-50 RESTORE 40
-60 READ e_H, e_H2O, e_OH, e_CO2
-70 pk_CO2 = 13
-80 n_CO2 = 0.6
-100 REM Generic rate follows
-110 dif_temp = 1/TK - 1/281
-120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
-130 REM rate by H+
-140 pk_H = pk_H + e_H * dif_temp
-150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
-160 REM rate by hydrolysis
-170 pk_H2O = pk_H2O + e_H2O * dif_temp
-180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC)
-190 REM rate by OH-
-200 pk_OH = pk_OH + e_OH * dif_temp
-210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH
-220 REM rate by CO2
-230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp
-240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2
-250 rate = rate_H + rate_H2O + rate_OH + rate_CO2
-260 area = PARM(1) * M0 *(M/M0)^0.67
-270 rate = PARM(2) * area * rate * (1-SR("Albite"))
-280 moles = rate * TIME
-290 SAVE moles
- -end
-
-########
-#Calcite
-########
-# Example of KINETICS data block for calcite rate,
-# in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257.
-# KINETICS 1
-# Calcite
-# -tol 1e-8
-# -m0 3.e-3
-# -m 3.e-3
-# -parms 1.67e5 0.6 # cm^2/mol calcite, exp factor
-# -time 1 day
-
-Calcite
- -start
-1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite
-2 REM PARM(2) = exponent for M/M0
-
-10 si_cc = SI("Calcite")
-20 IF (M <= 0 and si_cc < 0) THEN GOTO 200
-30 k1 = 10^(0.198 - 444.0 / TK )
-40 k2 = 10^(2.84 - 2177.0 /TK )
-50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317.0 / TK)
-60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737.0 / TK )
-80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M
-110 rate = area * (k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O"))
-120 rate = rate * (1 - 10^(2/3*si_cc))
-130 moles = rate * 0.001 * TIME # convert from mmol to mol
-200 SAVE moles
- -end
-
-#######
-#Pyrite
-#######
-#
-# Williamson, M.A. and Rimstidt, J.D., 1994,
-# Geochimica et Cosmochimica Acta, v. 58, p. 5443-5454,
-# rate equation is mol m^-2 s^-1.
-#
-# Example of KINETICS data block for pyrite rate:
-# KINETICS 1
-# Pyrite
-# -tol 1e-8
-# -m0 5.e-4
-# -m 5.e-4
-# -parms 0.3 0.67 .5 -0.11
-# -time 1 day in 10
-Pyrite
- -start
-1 REM Williamson and Rimstidt, 1994
-2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite)
-3 REM PARM(2) = exp for (M/M0)
-4 REM PARM(3) = exp for O2
-5 REM PARM(4) = exp for H+
-
-10 REM Dissolution in presence of DO
-20 if (M <= 0) THEN GOTO 200
-30 if (SI("Pyrite") >= 0) THEN GOTO 200
-40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+")
-50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0)
-60 moles = 10^(log_area + log_rate) * TIME
-200 SAVE moles
- -end
-
-##########
-#Organic_C
-##########
-#
-# Example of KINETICS data block for SOC (sediment organic carbon):
-# KINETICS 1
-# Organic_C
-# -formula C
-# -tol 1e-8
-# -m 5e-3 # SOC in mol
-# -time 30 year in 15
-Organic_C
- -start
-1 REM Additive Monod kinetics for SOC (sediment organic carbon)
-2 REM Electron acceptors: O2, NO3, and SO4
-
-10 if (M <= 0) THEN GOTO 200
-20 mO2 = MOL("O2")
-30 mNO3 = TOT("N(5)")
-40 mSO4 = TOT("S(6)")
-50 k_O2 = 1.57e-9 # 1/sec
-60 k_NO3 = 1.67e-11 # 1/sec
-70 k_SO4 = 1.e-13 # 1/sec
-80 rate = k_O2 * mO2/(2.94e-4 + mO2)
-90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3)
-100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4)
-110 moles = rate * M * (M/M0) * TIME
-200 SAVE moles
- -end
-
-###########
-#Pyrolusite
-###########
-#
-# Postma, D. and Appelo, C.A.J., 2000, GCA, vol. 64, pp. 1237-1247.
-# Rate equation given as mol L^-1 s^-1
-#
-# Example of KINETICS data block for Pyrolusite
-# KINETICS 1-12
-# Pyrolusite
-# -tol 1.e-7
-# -m0 0.1
-# -m 0.1
-# -time 0.5 day in 10
-Pyrolusite
- -start
-10 if (M <= 0) THEN GOTO 200
-20 sr_pl = SR("Pyrolusite")
-30 if (sr_pl > 1) THEN GOTO 100
-40 REM sr_pl <= 1, undersaturated
-50 Fe_t = TOT("Fe(2)")
-60 if Fe_t < 1e-8 then goto 200
-70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl)
-80 GOTO 200
-100 REM sr_pl > 1, supersaturated
-110 moles = 2e-3 * 6.98e-5 * (1 - sr_pl) * TIME
-200 SAVE moles * SOLN_VOL
- -end
-END
-
diff --git a/Tests/Data/PhreeqcDatabase/wateq4f.dat b/Tests/Data/PhreeqcDatabase/wateq4f.dat
new file mode 120000
index 00000000000..8d4cf4baa16
--- /dev/null
+++ b/Tests/Data/PhreeqcDatabase/wateq4f.dat
@@ -0,0 +1 @@
+../../../ThirdParty/iphreeqc/src/database/wateq4f.dat
\ No newline at end of file
--
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