From 63347a35e981b60bb39ad28e4b50ca24fe52bbd0 Mon Sep 17 00:00:00 2001
From: renchao_lu <renchao.lu@gmail.com>
Date: Thu, 1 Aug 2019 13:53:02 +0200
Subject: [PATCH] [T] Compressed original thermodynamic database.
---
.../KineticReactant/1d_isofrac.prj | 26 +-
.../KineticReactant/1d_isofrac_database.dat | 117 +
.../1d_isofrac_flag_formula.prj | 2 +-
.../KineticReactant/revised_llnl.dat | 19255 ----------------
4 files changed, 143 insertions(+), 19257 deletions(-)
create mode 100755 Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/KineticReactant/1d_isofrac_database.dat
delete mode 100755 Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/KineticReactant/revised_llnl.dat
diff --git a/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/KineticReactant/1d_isofrac.prj b/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/KineticReactant/1d_isofrac.prj
index 583688f761c..1c328b75223 100644
--- a/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/KineticReactant/1d_isofrac.prj
+++ b/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/KineticReactant/1d_isofrac.prj
@@ -259,7 +259,7 @@
</output>
</time_loop>
<chemical_system chemical_solver="Phreeqc">
- <database>revised_llnl.dat</database>
+ <database>1d_isofrac_database.dat</database>
<solution>
<temperature>25</temperature>
<pressure>1</pressure>
@@ -274,6 +274,14 @@
<name>Productc</name>
<initial_amount>1e-6</initial_amount>
</kinetic_reactant>
+ <kinetic_reactant>
+ <name>Productd</name>
+ <initial_amount>1e-6</initial_amount>
+ </kinetic_reactant>
+ <kinetic_reactant>
+ <name>Producte</name>
+ <initial_amount>1e-6</initial_amount>
+ </kinetic_reactant>
</kinetic_reactants>
<rates>
<rate>
@@ -286,6 +294,22 @@
<statement>save moles</statement>
</expression>
</rate>
+ <rate>
+ <kinetic_reactant>Productd</kinetic_reactant>
+ <expression>
+ <statement>rate = 0</statement>
+ <statement>moles = - rate * TIME</statement>
+ <statement>save moles</statement>
+ </expression>
+ </rate>
+ <rate>
+ <kinetic_reactant>Producte</kinetic_reactant>
+ <expression>
+ <statement>rate = 0</statement>
+ <statement>moles = - rate * TIME</statement>
+ <statement>save moles</statement>
+ </expression>
+ </rate>
</rates>
</chemical_system>
<parameters>
diff --git a/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/KineticReactant/1d_isofrac_database.dat b/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/KineticReactant/1d_isofrac_database.dat
new file mode 100755
index 00000000000..a0e9294cb5d
--- /dev/null
+++ b/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/KineticReactant/1d_isofrac_database.dat
@@ -0,0 +1,117 @@
+# extracted from original llnl.dat file. Added two custom synthetic solution
+#species (synthetica and syntheticb) and one associated mineral
+#precipitate (productc).
+
+# $Id: llnl.dat 4023 2010-02-09 21:02:42Z 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
+
+SOLUTION_MASTER_SPECIES
+
+#element species alk gfw_formula element_gfw
+E e- 0.0 0.0 0.0
+H H+ -1. H 1.0079
+H(0) H2 0.0 H
+H(+1) H+ -1. 0.0
+O H2O 0.0 O 15.994
+O(-2) H2O 0.0 0.0
+O(0) O2 0.0 O
+Synthetica Synthetica+ 0.0 Synthetica 55
+Syntheticb Syntheticb- 0.0 Syntheticb 55
+
+SOLUTION_SPECIES
+e- = e-
+ log_k 0
+ -delta_H 0 kJ/mol # Calculated enthalpy of reaction e-
+# Enthalpy of formation: -0 kJ/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
+
+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
+
+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 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 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
+
+Synthetica+ = Synthetica+
+log_k 0.0
+
+Syntheticb- = Syntheticb-
+log_k 0.0
+
+PHASES
+Productc
+SyntheticaSyntheticb = Synthetica+ + Syntheticb-
+log_k -5
+
+Productd
+SyntheticaSyntheticb = Synthetica+ + Syntheticb-
+log_k 0
+
+Producte
+SyntheticaSyntheticb = Synthetica+ + Syntheticb-
+log_k 0
+
+END
diff --git a/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/KineticReactant/1d_isofrac_flag_formula.prj b/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/KineticReactant/1d_isofrac_flag_formula.prj
index 9f71a097015..9ca2291e387 100644
--- a/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/KineticReactant/1d_isofrac_flag_formula.prj
+++ b/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/KineticReactant/1d_isofrac_flag_formula.prj
@@ -259,7 +259,7 @@
</output>
</time_loop>
<chemical_system chemical_solver="Phreeqc">
- <database>revised_llnl.dat</database>
+ <database>1d_isofrac_database.dat</database>
<solution>
<temperature>25</temperature>
<pressure>1</pressure>
diff --git a/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/KineticReactant/revised_llnl.dat b/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/KineticReactant/revised_llnl.dat
deleted file mode 100755
index d313f803f7e..00000000000
--- a/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/KineticReactant/revised_llnl.dat
+++ /dev/null
@@ -1,19255 +0,0 @@
-#Revised original llnl.dat file. Added two custom synthetic solution
-#species (synthetica and syntheticb) and one associated mineral
-#precipitate (productc).
-# $Id: llnl.dat 4023 2010-02-09 21:02:42Z 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
-Synthetica Synthetica+ 0.0 Synthetica 55
-Syntheticb Syntheticb- 0.0 Syntheticb 55
-
-SOLUTION_SPECIES
-Synthetica+ = Synthetica+
-log_k 0.0
-Syntheticb- = Syntheticb-
-log_k 0.0
-
-PHASES
-Productc
-SyntheticaSyntheticb = Synthetica+ + Syntheticb-
-log_k -5
-
-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
-
-Biotite
- KMg2.5Fe0.5AlSi3O10(OH)2 +10.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 2.5000 Mg++ + 0.5000 Fe++ + 3.0000 SiO2 + 6.0000 H2O
- log_k 36.11155
-
-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, 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 parm(1) = A/V, 1/m 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 / (273.16 + tc) )
- 40 k2 = 10^(2.84 - 2177.0 / (273.16 + tc) )
- 50 if tc <= 25 then k3 = 10^(-5.86 - 317.0 / (273.16 + tc) )
- 60 if tc > 25 then k3 = 10^(-1.1 - 1737.0 / (273.16 + tc) )
- 70 t = 1
- 80 if m0 > 0 then t = m/m0
- 90 if t = 0 then t = 1
- 100 moles = parm(1) * (t)^parm(2)
- 110 moles = moles * (k1 * act("H+") + k2 * act("CO2") + k3 * act("H2O"))
- 120 moles = moles * (1 - 10^(2/3*si_cc))
- 130 moles = moles * time
- 140 if (moles > m) then moles = m
- 150 if (moles >= 0) then goto 200
- 160 temp = tot("Ca")
- 170 mc = tot("C(4)")
- 180 if mc < temp then temp = mc
- 190 if -moles > temp then moles = -temp
- 200 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
- 20 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
-END
--
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