diff --git a/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/NAPSI_290502.dat b/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/NAPSI_290502.dat
deleted file mode 100644
index 0296837b4ff1532137acbac5790a8d57df403d23..0000000000000000000000000000000000000000
--- a/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/NAPSI_290502.dat
+++ /dev/null
@@ -1,2855 +0,0 @@
-# Obtained from http://www.phreeplot.org/ppihtml/NAPSI_290502(260802).DAT.html
-#
-# Nagra/PSI Chemical Thermodynamic Data Base Version 01/01 (Nagra/PSI TDB 01/01)
-# NAPSI_290502.DAT LAST MOD. 26-AUG-2002
-# #####################################################################################################
-#
-# This file contains the Nagra/PSI TDB 01/01 formatted for PHREEQC. It was developed by
-#
-# W. Hummel, U. Berner, E. Curti, and T. Thoenen from the
-# Waste Management Laboratory
-# Paul Scherrer Institut
-# CH-5232 Villigen PSI
-# Switzerland
-#
-# and by F.J. Pearson from
-# Ground-Water Geochemistry
-# 411 East Front St.
-# New Bern, NC, 28560
-# U.S.A.
-#
-# The Nagra/PSI Chemical Thermodynamic Data Base has been updated from version 05/92 to 01/01in order
-# to support the ongoing safety assessment of a planned Swiss repository for high-level radioactive
-# waste. This update is thoroughly documented in Hummel et al. (2002).
-# Data base version 05/92 distinguished between "core data" (Pearson & Berner 1991) and "supplemental
-# data" (Pearson, Berner & Hummel 1992). Core data are for elements commonly found as major solutes in
-# natural waters. These data are well established and have not been changed to any significant degree.
-# Supplemental data comprise actinides and fission products, as well as Mn, Fe, Si and Al. The update
-# from version 05/92 to 01/01 involved major revisions for most of the supplemental data. Altogether,
-# more than 70% of the data base contents have been updated.
-# Thermodynamic data for Th, Sn, Eu, Pd, Al, and solubility and metal complexation of sulfides and
-# silicates were extensively reviewed.
-# Data for Zr, Ni and Se were examined less rigorously, since these elements are currently being
-# reviewed in phase II of the NEA TDB (Nuclear Energy Agency Thermochemical Data Base) project.
-# Data for U, Np, Pu, Am and Tc recommended by the NEA TDB project were included in the update.
-# In several cases NEA recommendations were not accepted, detailed discussions can be found in Hummel
-# et al. (2002).
-#
-# WARNING: TEMPERATURE EXTRAPOLATIONS
-#
-# The Nagra/PSI Chemical Thermodynamic Data Base 01/01 provides thermodynamic data for use at 25 C.
-# PHREEQC allows the calculation of equilibria at temperatures other than 25 C. The temperature de-
-# pendence of an equilibrium constant is taken care of by either an analytical expression of the form
-# logK(T) = A + B T + C/T + D logT + E/T^2
-# or by the integrated van't Hoff equation
-# logK(T) = logK(T0) - (1/T - 1/T0) (deltaH[reaction]/(R ln10))
-# if only the reaction enthalpy is known.
-# Both types of data are available for some but not all of the species and phases contained in the
-# data base.
-# If a temperature differing from 25 C is used in a PHREEQC calculation, but reaction enthalpies or
-# analytical expressions are known only for some of the species, PHREEQC will use the data valid at
-# 25 C for all the other species. This may lead to inconsistencies, and it is therefore essential that
-# users examine outputs carefully to determine whether species with insufficient data for temperature
-# extrapolations have had a significant effect on the calculation results.
-# Users are advised to restrict their calculations at temperatures other than 25 C to subsets of the
-# data base that contain all necessary data.
-# In the light of these caveats, all lines containing data for temperature extrapolations (delta_h for
-# the integrated van't Hoff equation and -a_ for the analytical expression) have been commented out.
-# In order to use these data, the #-signs at the beginning of the corresponding lines have to be
-# deleted.
-#
-# WARNING: LIMITATIONS OF THIS DATA BASE
-#
-# Some of the stability constants in the Nagra/PSI TDB 01/01 are given as limiting values only or as
-# approximate values:
-# Ni+2 + 2 CO3-2 = Ni(CO3)2-2 logK < 6
-# Ni+2 + HCO3- = NiHCO3+ logK approximately 1
-# Pd+2 + 2 Cl- + 2 H2O - 2 H+ = PdCl2(OH)2-2 logK < -7.0
-# TcO(OH)2 + 2 H+ - 2 H2O = TcO+2 logK < 4
-# NpO2+2 + 3 H2O - 3 H+ = NpO2(OH)3- logK <= -19
-# NpO2+2 + 4 H2O - 4 H+ = NpO2(OH)4-2 logK <= -33
-# PuO2+ + H2O - H+ = PuO2OH logK <= -9.73
-# Since PHREEQC (and other speciation codes) cannot handle inequalities, the logK values of these
-# equilibria are given as exact. This has to be kept in mind for the interpretation of calculation
-# results.
-# In the course of the review process for the Nagra/PSI TDB 01/01 we identified important cases of
-# insufficient chemical knowledge leading to gaps in the data base. These are discussed in Hummel et
-# al. (2002). In the case of ternary hydroxide-carbonate complexes of tetravalent actinides, reliable
-# experimental data are only available for ThCO3(OH)3-, while data for the corresponding complexes of
-# U+4, Np+4, and Pu+4 are missing. Hummel and Berner (2001) and Hummel and Berner (submitted) have
-# estimated the missing complexation constants. However, these estimates are not part of the
-# official Nagra/PSI TDB 01/01 and are therefore not part of this PHREEQC data file. Hummel and Berner
-# (2001) and Hummel and Berner (submitted) also estimated several missing complexation constants for
-# hydroxide, carbonate, sulfate, fluoride, chloride, and silicate complexes of Np+3 and Pu+3. These
-# constants are also not part of this PHREEQC data file.
-#
-# NOTE: TIN
-#
-# Sn+2 and Sn+4 are not redox coupled in the Nagra/PSI TDB 01/01, i.e., there is no redox reaction
-# relating Sn+2 with Sn+4. Therefore, two elements for tin appear in this data base, Sn for divalent
-# tin (as, e.g., in SnOH+) and Tn for tetravalent tin (as, e.g., in Tn(OH)5-).
-#
-#
-# NOTE: ACTIVITY COEFFICIENTS OF UNCHARGED SPECIES
-#
-# With the Nagra/PSI TDB 01/01 activity coefficients of uncharged species are calculated by PHREEQC
-# according to the Setchenow equation:
-# ln(gamma) = b*I,
-# where I is the ionic strength, and b = 0.1 (default value, because the Nagra/PSI TDB 01/01 does not
-# provide any values of b for uncharged species). In order to use an activity coefficient of one for
-# uncharged species,the #-signs at the beginning of the lines with "-gamma 0.00 0.00" have to
-# be deleted.
-#
-# REFERENCES:
-#
-# Hummel W., Berner U. (2001): Application of the Nagra/PSI Thermochemical Data Base 01/01: Solubility
-# and sorption of Th, U, Np and Pu. PSI Internal Report TM-44-01-04, Paul Scherrer Institut,
-# Villigen, Switzerland.
-# Hummel W., Berner U. (submitted): Solubility of actinides in a planned underground repository:
-# Application of chemical thermodynamics for estimation of limiting values. Submitted to Applied
-# Geochemistry.
-# Hummel W., Berner U., Curti E., Pearson F.J. & Thoenen T. (2002): Nagra/PSI Chemical Thermodynamic
-# Data Base 01/01. Universal Publishers/uPUBLISH.com USA, available from:
-# http://www.upublish.com/books/hummel.htm. Also issued as Nagra Technical Report NTB 02-16,
-# Nagra, Wettingen, Switzerland.
-# Pearson F.J. & Berner U. (1991): Nagra Thermochemical Data Base I. Core Data. Nagra Technical Report
-# NTB 91-17, Nagra, Wettingen, Switzerland.
-# Pearson F.J., Berner U. & Hummel W. (1992): Nagra Thermochemical Data Base II. Supplemental Data
-# 05/92. Nagra Technical Report NTB 91-18, Nagra, Wettingen, Switzerland.
-
-
-SOLUTION_MASTER_SPECIES
-
-
-# ATOMIC WEIGHTS
-# Naturally occuring elements: IUPAC 1993 Table 1 rounded to 0.001
-# Radioelements: Mass number of longest-lived isotope
-#
-#
-#
-# elemen species alk gfw_formula element_gfw atomic
-# number
-#
-H H+ -1.0 H 1.008 # 1
-H(0) H2 0.0 H #
-H(1) H+ -1.0 H #
-E e- 0.0 0.0 0.0 #
-O H2O 0.0 O 15.999 # 8
-O(0) O2 0.0 O #
-O(-2) H2O 0.0 O #
-Al Al+3 0.0 Al 26.982 # 13
-Am Am+3 0.0 Am 243 # 95
-As HAsO4-2 0.0 As 74.922 # 33
-As(3) As(OH)3 0.0 As #
-As(5) HAsO4-2 1.0 As #
-B B(OH)3 0.0 B 10.812 # 5
-Ba Ba+2 0.0 Ba 137.328 # 56
-Br Br- 0.0 Br 79.904 # 35
-C HCO3- 1.0 C 12.011 # 6
-C(+4) HCO3- 1.0 HCO3- #
-C(-4) CH4 0.0 CH4 #
-Alkalinity HCO3- 1.0 HCO3- 61.016 #
-Ca Ca+2 0.0 Ca 40.078 # 20
-Cl Cl- 0.0 Cl 35.453 # 17
-Cs Cs+ 0.0 Cs 132.905 # 55
-Eu Eu+3 0.0 Eu 151.966 # 63
-Eu(2) Eu+2 0.0 Eu #
-Eu(3) Eu+3 0.0 Eu #
-F F- 0.0 F 18.998 # 9
-Fe Fe+2 0.0 Fe 55.845 # 26
-Fe(2) Fe+2 0.0 Fe #
-Fe(3) Fe+3 0.0 Fe #
-I I- 0.0 I 126.904 # 53
-I(-1) I- 0.0 I #
-I(0) I2 0.0 I #
-K K+ 0.0 K 39.098 # 19
-Li Li+ 0.0 Li 6.941 # 6
-Mg Mg+2 0.0 Mg 24.305 # 12
-Mn Mn+2 0.0 Mn 54.938 # 25
-Mo MoO4-2 0.0 Mo 95.941 # 42
-N NO3- 0.0 N 14.007 # 7
-N(0) N2 0.0 N2 #
-N(-3) NH4+ 0.0 NH4 #
-N(5) NO3- 0.0 NO3 #
-Na Na+ 0.0 Na 22.99 # 11
-Nb NbO3- 0.0 Nb 92.906 # 41
-Ni Ni+2 0.0 Ni 58.693 # 28
-Np NpO2+2 0.0 Np 237 # 93
-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 #
-P HPO4-2 1.0 P 30.974 # 15
-Pd Pd+2 0.0 Pd 106.421 # 46
-Pu PuO2+2 0.0 Pu 242 # 94
-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 # 88
-S SO4-2 0.0 S 32.067 # 16
-S(-2) HS- 1.0 HS #
-S(2) S2O3-2 0.0 S2O3 #
-S(4) SO3-2 0.0 SO3 #
-S(6) SO4-2 0.0 SO4 #
-Se SeO3-2 0.0 Se 78.963 # 34
-Se(4) SeO3-2 0.0 Se #
-Se(-2) H2Se 0.0 Se #
-Se(6) HSeO4- 0.0 Se #
-Si Si(OH)4 0.0 Si 28.086 # 14
-Sn Sn+2 0.0 Sn 118.711 # 50
-Tn Tn(OH)4 0.0 Tn(OH)4 186.739 #
-Sr Sr+2 0.0 Sr 87.621 # 38
-Tc TcO4- 0.0 Tc 98 # 43
-Tc(7) TcO4- 0.0 TcO4 #
-Tc(4) TcO(OH)2 -1.0 TcO(OH)2 #
-Th Th+4 0.0 Th 232.038 # 90
-U UO2+2 0.0 U 238.029 # 92
-U(4) U+4 0.0 U #
-U(5) UO2+ 0.0 U #
-U(6) UO2+2 0.0 UO2 #
-Zr Zr+4 0.0 Zr 91.224 # 40
-
-SOLUTION_SPECIES
-
-# PMATCH MASTER SPECIES
-
-H+ = H+
- log_k 0.0
- -gamma 9.00 0.00
-
-e- = e-
- log_k 0.0
-
-H2O = H2O
- log_k 0.0
-
-Al+3 = Al+3
- log_k 0.0
- -gamma 6.65 0.19
-
-Am+3 = Am+3
- log_k 0.0
- -gamma 9.00 0.00
-
-HAsO4-2 = HAsO4-2
- log_k 0.0
- -gamma 4.00 0.00
-
-B(OH)3 = B(OH)3
- log_k 0.0
-# -gamma 0.00 0.00
-
-Ba+2 = Ba+2
- log_k 0.0
- -gamma 4.55 0.09
-
-Br- = Br-
- log_k 0.0
- -gamma 3.00 0.00
-
-HCO3- = HCO3-
- log_k 0.0
- -gamma 5.40 0.00
-
-Ca+2 = Ca+2
- log_k 0.0
- -gamma 4.86 0.15
-
-Cl- = Cl-
- log_k 0.0
- -gamma 3.71 0.01
-
-Cs+ = Cs+
- log_k 0.0
- -gamma 2.50 0.00
-
-Eu+3 = Eu+3
- log_k 0.0
- -gamma 9.00 0.00
-
-F- = F-
- log_k 0.0
- -gamma 3.46 0.08
-
-Fe+2 = Fe+2
- log_k 0.0
- -gamma 5.08 0.16
-
-I- = I-
- log_k 0.0
- -gamma 3.00 0.00
-
-K+ = K+
- log_k 0.0
- -gamma 3.71 0.01
-
-Li+ = Li+
- log_k 0.0
- -gamma 4.76 0.20
-
-Mg+2 = Mg+2
- log_k 0.0
- -gamma 5.46 0.22
-
-Mn+2 = Mn+2
- log_k 0.0
- -gamma 7.04 0.22
-
-MoO4-2 = MoO4-2
- log_k 0.0
- -gamma 5.00 0.00
-
-NO3- = NO3-
- log_k 0.0
- -gamma 3.00 0.00
-
-Na+ = Na+
- log_k 0.0
- -gamma 4.32 0.06
-
-NbO3- = NbO3-
- log_k 0.0
- -gamma 3.00 0.00
-
-Ni+2 = Ni+2
- log_k 0.0
- -gamma 5.51 0.22
-
-NpO2+2 = NpO2+2
- log_k 0.0
- -gamma 4.00 0.00
-
-HPO4-2 = HPO4-2
- log_k 0.0
- -gamma 4.00 0.00
-
-Pd+2 = Pd+2
- log_k 0.0
- -gamma 5.50 0.00
-
-PuO2+2 = PuO2+2
- log_k 0.0
- -gamma 4.00 0.00
-
-Ra+2 = Ra+2
- log_k 0.0
- -gamma 5.00 0.00
-
-SO4-2 = SO4-2
- log_k 0.0
- -gamma 5.31 -0.07
-
-SeO3-2 = SeO3-2
- log_k 0.0
- -gamma 4.50 0.00
-
-Si(OH)4 = Si(OH)4
- log_k 0.0
-# -gamma 0.00 0.00
-
-Sn+2 = Sn+2
- log_k 0.0
- -gamma 6.00 0.00
-
-Sr+2 = Sr+2
- log_k 0.0
- -gamma 5.48 0.11
-
-TcO4- = TcO4-
- log_k 0.0
- -gamma 3.50 0.00
-
-Th+4 = Th+4
- log_k 0.0
- -gamma 11.00 0.00
-
-UO2+2 = UO2+2
- log_k 0.0
- -gamma 4.00 0.00
-
-Zr+4 = Zr+4
- log_k 0.0
- -gamma 11.00 0.00
-
-Tn(OH)4 = Tn(OH)4
- log_k 0.0
-# -gamma 0.00 0.00
-
-
-# PMATCH SECONDARY MASTER SPECIES
-
- +2.000H+ +2.000e- = H2
- log_k -3.1055
-# delta_h -4.0390
-# -a_e -7.645285E+01 -6.533210E-03 3.037267E+03 2.631234E+01 -0.000000E+00
-# -gamma 0.00 0.00
-
- +2.000H2O -4.000H+ -4.000e- = O2
- log_k -85.9862
-# delta_h 559.6010
-# -a_e -2.163762E+01 4.101330E-03 -2.747501E+04 1.074196E+01 -0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000HAsO4-2 +4.000H+ +2.000e- -1.000H2O = As(OH)3
- log_k 28.4412
-# delta_h -121.6899
-# -a_e -4.012500E+00 0.000000E+00 6.852070E+03 3.827857E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000HCO3- +9.000H+ +8.000e- -3.000H2O = CH4
- log_k 27.8493
-# delta_h -255.8820
-# -a_e 1.366894E+02 4.100659E-02 2.778061E+03 -5.730937E+01 1.015550E+06
-# -gamma 0.00 0.00
-
- +2.000NO3- +12.000H+ +10.000e- -6.000H2O = N2
- log_k 207.2676
-# delta_h -1311.7170
-# -a_e -2.637226E+02 0.000000E+00 7.925347E+04 8.291702E+01 -0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000NO3- +10.000H+ +8.000e- -3.000H2O = NH4+
- log_k 119.1372
-# delta_h -783.9000
-# -a_e -1.151682E+02 0.000000E+00 4.526337E+04 3.333745E+01 -0.000000E+00
- -gamma 2.50 0.00
-
- +1.000NpO2+2 +4.000H+ +3.000e- -2.000H2O = Np+3
- log_k 33.5000
-# delta_h -238.1600
-# -a_e -8.213169E+00 0.000000E+00 1.244018E+04 0.000000E+00 -0.000000E+00
- -gamma 9.00 0.00
-
- +1.000NpO2+2 +4.000H+ +2.000e- -2.000H2O = Np+4
- log_k 29.8000
-# delta_h -266.9600
-# -a_e -1.695543E+01 0.000000E+00 1.394454E+04 0.000000E+00 -0.000000E+00
- -gamma 11.00 0.00
-
- +1.000NpO2+2 +1.000e- = NpO2+
- log_k 19.5900
-# delta_h -117.5000
-# -a_e -9.810953E-01 0.000000E+00 6.137562E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000PuO2+2 +4.000H+ +3.000e- -2.000H2O = Pu+3
- log_k 50.9700
-# delta_h -341.4600
-# -a_e -8.861393E+00 0.000000E+00 1.783602E+04 0.000000E+00 -0.000000E+00
- -gamma 9.00 0.00
-
- +1.000PuO2+2 +4.000H+ +2.000e- -2.000H2O = Pu+4
- log_k 33.2800
-# delta_h -289.5600
-# -a_e -1.746350E+01 0.000000E+00 1.512504E+04 0.000000E+00 -0.000000E+00
- -gamma 11.00 0.00
-
- +1.000PuO2+2 +1.000e- = PuO2+
- log_k 15.8200
-# delta_h -88.1000
-# -a_e 3.679107E-01 0.000000E+00 4.601865E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +2.000SO4-2 +10.000H+ +8.000e- -5.000H2O = S2O3-2
- log_k 38.0145
-# delta_h -258.9700
-# -a_e -3.450029E+02 0.000000E+00 2.855787E+04 1.160806E+02 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000SO4-2 +9.000H+ +8.000e- -4.000H2O = HS-
- log_k 33.6900
-# delta_h -250.2800
-# -a_e -1.956803E+02 0.000000E+00 2.133208E+04 6.378207E+01 -0.000000E+00
- -gamma 3.50 0.00
-
- +1.000TcO4- +4.000H+ +3.000e- -1.000H2O = TcO(OH)2
- log_k 29.4000
-# -a_e 2.940000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000UO2+2 +4.000H+ +2.000e- -2.000H2O = U+4
- log_k 9.0380
-# delta_h -143.8600
-# -a_e -1.616564E+01 0.000000E+00 7.514465E+03 0.000000E+00 -0.000000E+00
- -gamma 11.00 0.00
-
- +1.000UO2+2 +1.000e- = UO2+
- log_k 1.4840
-# delta_h -6.1270
-# -a_e 4.105766E-01 0.000000E+00 3.200412E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000H2O -1.000H+ = OH-
- log_k -13.9995
-# delta_h 55.9043
-# -a_e -2.839710E+02 -5.069842E-02 1.332300E+04 1.022445E+02 -1.119669E+06
- -gamma 10.65 0.00
-
- +1.000H+ -1.000H2O +1.000HCO3- = CO2
- log_k 6.3519
-# delta_h -9.1092
-# -a_e 3.563094E+02 6.091964E-02 -2.183437E+04 -1.268339E+02 1.684915E+06
-# -gamma 0.00 0.00
-
- -1.000H+ +1.000HCO3- = CO3-2
- log_k -10.3289
-# delta_h 14.9007
-# -a_e -1.078871E+02 -3.252849E-02 5.151790E+03 3.892561E+01 -5.637139E+05
- -gamma 5.40 0.00
-
- +1.000HPO4-2 +2.000H+ = H3PO4
- log_k 9.3520
-# delta_h 4.8800
-# -a_e 1.020695E+01 0.000000E+00 -2.549047E+02 0.000000E+00 -0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000HPO4-2 +1.000H+ = H2PO4-
- log_k 7.2120
-# delta_h -3.6000
-# -a_e 6.581296E+00 0.000000E+00 1.880444E+02 0.000000E+00 -0.000000E+00
- -gamma 4.50 0.00
-
- +1.000HPO4-2 -1.000H+ = PO4-3
- log_k -12.3500
-# delta_h 14.6000
-# -a_e -9.792144E+00 0.000000E+00 -7.626247E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000NH4+ -1.000H+ = NH3
- log_k -9.2370
-# delta_h 52.0900
-# -a_e -1.110615E-01 0.000000E+00 -2.720899E+03 0.000000E+00 -0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Fe+2 -1.000e- = Fe+3
- log_k -13.0200
-# delta_h 40.5000
-# -a_e -5.924578E+00 0.000000E+00 -2.115500E+03 0.000000E+00 -0.000000E+00
- -gamma 9.00 0.00
-
- +1.000Eu+3 +1.000e- = Eu+2
- log_k -5.9200
-# delta_h 78.1000
-# -a_e 7.761165E+00 0.000000E+00 -4.079520E+03 0.000000E+00 -0.000000E+00
- -gamma 6.00 0.00
-
- +1.000Si(OH)4 -1.000H+ = SiO(OH)3-
- log_k -9.8100
-# delta_h 25.6000
-# -a_e -5.324993E+00 0.000000E+00 -1.337205E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Si(OH)4 -2.000H+ = SiO2(OH)2-2
- log_k -23.1400
-# delta_h 75.0000
-# -a_e -1.000033E+01 0.000000E+00 -3.917592E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Al+3 +4.000H2O -4.000H+ = Al(OH)4-
- log_k -22.8797
-# delta_h 180.8990
-# -a_e 2.886657E+01 0.000000E+00 -1.034188E+04 -6.894257E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000SO4-2 +2.000H+ +2.000e- -1.000H2O = SO3-2
- log_k -3.3974
-# delta_h -11.9900
-# -a_e -1.576202E+02 0.000000E+00 7.398158E+03 5.229849E+01 -0.000000E+00
- -gamma 4.50 0.00
-
- +2.000I- -2.000e- = I2
- log_k 20.9500
-# -a_e 2.095000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 0.00 0.00
-
- +1.000SeO3-2 +1.000H2O -1.000H+ -2.000e- = HSeO4-
- log_k -25.5800
-# -a_e -2.558000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000SeO3-2 +8.000H+ +6.000e- -3.000H2O = H2Se
- log_k 57.3900
-# -a_e 5.739000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
-
-# PMATCH PRODUCT SPECIES
-
- +1.000Al+3 +1.000F- = AlF+2
- log_k 7.0800
-# delta_h 4.8000
-# -a_e 7.920939E+00 0.000000E+00 -2.507259E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Al+3 +2.000F- = AlF2+
- log_k 12.7300
-# delta_h 8.1000
-# -a_e 1.414908E+01 0.000000E+00 -4.231000E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Al+3 +3.000F- = AlF3
- log_k 16.7800
-# delta_h 8.9000
-# -a_e 1.833924E+01 0.000000E+00 -4.648876E+02 0.000000E+00 -0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Al+3 +4.000F- = AlF4-
- log_k 19.2900
-# delta_h 10.1000
-# -a_e 2.105948E+01 0.000000E+00 -5.275691E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Al+3 +5.000F- = AlF5-2
- log_k 20.3000
-# delta_h 7.0000
-# -a_e 2.152637E+01 0.000000E+00 -3.656420E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Al+3 +6.000F- = AlF6-3
- log_k 20.3000
-# delta_h 0.5000
-# -a_e 2.038760E+01 0.000000E+00 -2.611728E+01 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Al+3 +2.000H2O -2.000H+ = Al(OH)2+
- log_k -10.5943
-# delta_h 98.2820
-# -a_e -4.036210E+01 0.000000E+00 -3.042071E+03 1.615359E+01 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Al+3 +3.000H2O -3.000H+ = Al(OH)3
- log_k -16.4328
-# delta_h 144.7040
-# -a_e -4.553311E+01 0.000000E+00 -5.134577E+03 1.872013E+01 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Al+3 +1.000SO4-2 = AlSO4+
- log_k 3.9000
-# -a_e 3.900000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000As(OH)3 +1.000H2O -1.000H+ = As(OH)4-
- log_k -9.2314
-# delta_h 27.3399
-# -a_e -4.441558E+00 0.000000E+00 -1.428089E+03 0.000000E+00 -0.000000E+00
- -gamma 4.50 0.00
-
- +1.000HAsO4-2 -1.000H+ = AsO4-3
- log_k -11.6036
-# delta_h 18.2000
-# -a_e -8.414995E+00 0.000000E+00 -9.506691E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000B(OH)3 +1.000H2O -1.000H+ = B(OH)4-
- log_k -9.2352
-# delta_h 14.0528
-# -a_e 3.496000E+00 -1.722150E-02 -2.264920E+03 0.000000E+00 0.000000E+00
- -gamma 4.50 0.00
-
- +1.000Ba+2 -1.000H+ +1.000HCO3- = BaCO3
- log_k -7.6157
-# delta_h 29.7422
-# -a_e -1.077741E+02 -2.380749E-02 5.151790E+03 3.892561E+01 -5.637139E+05
-# -gamma 0.00 0.00
-
- +1.000Ba+2 +1.000HCO3- = BaHCO3+
- log_k 0.9816
-# delta_h 23.2621
-# -a_e -3.093800E+00 1.366900E-02 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ba+2 +1.000H2O -1.000H+ = BaOH+
- log_k -13.4700
-# -a_e -1.347000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ba+2 +1.000SO4-2 = BaSO4
- log_k 2.7000
-# -a_e 2.700000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Ca+2 -1.000H+ +1.000HCO3- = CaCO3
- log_k -7.1048
-# delta_h 29.7327
-# -a_e -1.336619E+03 -3.319725E-01 4.066454E+04 5.247436E+02 -5.637139E+05
-# -gamma 0.00 0.00
-
- +1.000Ca+2 +1.000F- = CaF+
- log_k 0.9400
-# delta_h 17.2381
-# -a_e 3.960036E+00 0.000000E+00 -9.004236E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ca+2 +1.000HCO3- = CaHCO3+
- log_k 1.1057
-# delta_h 11.2630
-# -a_e 1.209120E+03 3.129400E-01 -3.476505E+04 -4.787820E+02 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ca+2 +1.000H2O -1.000H+ = CaOH+
- log_k -12.7800
-# -a_e -1.278000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ca+2 +1.000SO4-2 = CaSO4
- log_k 2.3000
-# delta_h 6.9036
-# -a_e 3.509480E+00 0.000000E+00 -3.606066E+02 0.000000E+00 -0.000000E+00
-# -gamma 0.00 0.00
-
- +2.000H2O -2.000H+ +1.000Fe+3 = Fe(OH)2+
- log_k -5.6700
-# delta_h 71.5475
-# -a_e 6.864807E+00 0.000000E+00 -3.737253E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +3.000H2O -3.000H+ +1.000Fe+3 = Fe(OH)3
- log_k -12.5600
-# delta_h 103.7643
-# -a_e 5.619048E+00 0.000000E+00 -5.420083E+03 0.000000E+00 -0.000000E+00
-# -gamma 0.00 0.00
-
- +4.000H2O -4.000H+ +1.000Fe+3 = Fe(OH)4-
- log_k -21.6000
-# delta_h 133.4707
-# -a_e 1.783479E+00 0.000000E+00 -6.971784E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +2.000SO4-2 +1.000Fe+3 = Fe(SO4)2-
- log_k 5.3800
-# delta_h 19.2475
-# -a_e 8.752077E+00 0.000000E+00 -1.005385E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +2.000H2O -2.000H+ +2.000Fe+3 = Fe2(OH)2+4
- log_k -2.9500
-# delta_h 56.4862
-# -a_e 6.946133E+00 0.000000E+00 -2.950532E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +4.000H2O -4.000H+ +3.000Fe+3 = Fe3(OH)4+5
- log_k -6.3000
-# delta_h 59.8345
-# -a_e 4.182741E+00 0.000000E+00 -3.125429E+03 0.000000E+00 -0.000000E+00
- -gamma 9.00 0.00
-
- +1.000Fe+2 +1.000Cl- = FeCl+
- log_k 0.1400
-# -a_e 1.400000E-01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Cl- +1.000Fe+3 = FeCl+2
- log_k 1.4800
-# delta_h 23.4315
-# -a_e 5.585096E+00 0.000000E+00 -1.223934E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +2.000Cl- +1.000Fe+3 = FeCl2+
- log_k 2.1300
-# -a_e 2.130000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +3.000Cl- +1.000Fe+3 = FeCl3
- log_k 1.1300
-# -a_e 1.130000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Fe+2 +1.000HCO3- -1.000H+ = FeCO3
- log_k -5.9490
-# -a_e -5.949000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Fe+2 +1.000F- = FeF+
- log_k 1.0000
-# -a_e 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000F- +1.000Fe+3 = FeF+2
- log_k 6.2000
-# delta_h 11.2970
-# -a_e 8.179185E+00 0.000000E+00 -5.900939E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +2.000F- +1.000Fe+3 = FeF2+
- log_k 10.8000
-# delta_h 20.0840
-# -a_e 1.431863E+01 0.000000E+00 -1.049079E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +3.000F- +1.000Fe+3 = FeF3
- log_k 14.0000
-# delta_h 22.5950
-# -a_e 1.795854E+01 0.000000E+00 -1.180240E+03 0.000000E+00 -0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Fe+2 +1.000HCO3- = FeHCO3+
- log_k 2.0000
-# -a_e 2.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Fe+2 +1.000H+ +1.000SO4-2 = FeHSO4+
- log_k 3.0680
-# -a_e 3.068000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000H+ +1.000SO4-2 +1.000Fe+3 = FeHSO4+2
- log_k 4.4680
-# -a_e 4.468000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Fe+2 +1.000H2O -1.000H+ = FeOH+
- log_k -9.5000
-# delta_h 55.2288
-# -a_e 1.758424E-01 0.000000E+00 -2.884852E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000H2O -1.000H+ +1.000Fe+3 = FeOH+2
- log_k -2.1900
-# delta_h 43.5147
-# -a_e 5.433584E+00 0.000000E+00 -2.272971E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000SO4-2 +1.000Fe+3 = FeSO4+
- log_k 4.0400
-# delta_h 16.3605
-# -a_e 6.906288E+00 0.000000E+00 -8.545836E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Fe+2 +1.000SO4-2 = FeSO4
- log_k 2.2500
-# delta_h 13.5143
-# -a_e 4.617649E+00 0.000000E+00 -7.059146E+02 0.000000E+00 -0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000HAsO4-2 +1.000H+ = H2AsO4-
- log_k 6.7645
-# delta_h -3.2200
-# -a_e 6.200347E+00 0.000000E+00 1.681953E+02 0.000000E+00 -0.000000E+00
- -gamma 4.50 0.00
-
- +1.000SeO3-2 +2.000H+ = H2SeO3
- log_k 11.2000
-# delta_h 12.0900
-# -a_e 1.331811E+01 0.000000E+00 -6.315159E+02 0.000000E+00 -0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000HAsO4-2 +2.000H+ = H3AsO4
- log_k 9.0273
-# delta_h 3.8400
-# -a_e 9.700054E+00 0.000000E+00 -2.005807E+02 0.000000E+00 -0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000H+ +1.000F- = HF
- log_k 3.1760
-# delta_h 13.3063
-# -a_e -2.033000E+00 1.264500E-02 4.290100E+02 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000H+ +2.000F- = HF2-
- log_k 3.6201
-# delta_h 15.2000
-# -a_e -8.943484E+01 0.000000E+00 3.467009E+03 3.290711E+01 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000H2Se -1.000H+ = HSe-
- log_k -3.8000
-# -a_e -3.800000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 3.50 0.00
-
- +1.000SeO3-2 +1.000H+ = HSeO3-
- log_k 8.4000
-# delta_h 5.0200
-# -a_e 9.279482E+00 0.000000E+00 -2.622175E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000H+ +1.000SO3-2 = HSO3-
- log_k 7.2202
-# delta_h 120.9500
-# -a_e 2.841007E+01 0.000000E+00 -6.317771E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000H+ +1.000SO4-2 = HSO4-
- log_k 1.9878
-# delta_h 16.1276
-# -a_e -5.688900E+01 6.473000E-03 2.307900E+03 1.988580E+01 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000K+ +1.000H2O -1.000H+ = KOH
- log_k -14.4600
-# -a_e -1.446000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000K+ +1.000SO4-2 = KSO4-
- log_k 0.8500
-# delta_h 9.4140
-# -a_e 2.499291E+00 0.000000E+00 -4.917362E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Li+ +1.000H2O -1.000H+ = LiOH
- log_k -13.6400
-# -a_e -1.364000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Li+ +1.000SO4-2 = LiSO4-
- log_k 0.6400
-# -a_e 6.400000E-01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Mg+2 -1.000H+ +1.000HCO3- = MgCO3
- log_k -7.3492
-# delta_h 26.2518
-# -a_e -1.068961E+02 -2.585849E-02 5.151790E+03 3.892561E+01 -5.637139E+05
-# -gamma 0.00 0.00
-
- +1.000Mg+2 +1.000F- = MgF+
- log_k 1.8200
-# delta_h 13.3888
-# -a_e 4.165659E+00 0.000000E+00 -6.993582E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Mg+2 +1.000HCO3- = MgHCO3+
- log_k 1.0682
-# delta_h 3.2881
-# -a_e -5.921500E+01 0.000000E+00 2.537455E+03 2.092298E+01 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Mg+2 +1.000H2O -1.000H+ = MgOH+
- log_k -11.4400
-# -a_e -1.144000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Mg+2 +1.000SO4-2 = MgSO4
- log_k 2.3700
-# delta_h 19.0372
-# -a_e 5.705234E+00 0.000000E+00 -9.943999E+02 0.000000E+00 -0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Mn+2 +1.000Cl- = MnCl+
- log_k 0.6100
-# -a_e 6.100000E-01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Mn+2 +2.000Cl- = MnCl2
- log_k 0.2500
-# -a_e 2.500000E-01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Mn+2 +3.000Cl- = MnCl3-
- log_k -0.3100
-# -a_e -3.100000E-01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Mn+2 +1.000HCO3- -1.000H+ = MnCO3
- log_k -5.4290
-# -a_e -5.429000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Mn+2 +1.000F- = MnF+
- log_k 0.8400
-# -a_e 8.400000E-01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Mn+2 +1.000HCO3- = MnHCO3+
- log_k 1.9500
-# -a_e 1.950000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Mn+2 +1.000H2O -1.000H+ = MnOH+
- log_k -10.5900
-# delta_h 60.2496
-# -a_e -3.453554E-02 0.000000E+00 -3.147112E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Mn+2 +1.000SO4-2 = MnSO4
- log_k 2.2500
-# delta_h 14.1001
-# -a_e 4.720272E+00 0.000000E+00 -7.365116E+02 0.000000E+00 -0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Na+ -1.000H+ +1.000HCO3- = NaCO3-
- log_k -9.0590
-# delta_h 52.1800
-# -a_e 8.270610E-02 0.000000E+00 -2.725600E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Na+ +1.000F- = NaF
- log_k -0.2400
-# -a_e -2.400000E-01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Na+ +1.000HCO3- = NaHCO3
- log_k -0.2500
-# -a_e -2.500000E-01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Na+ +1.000H2O -1.000H+ = NaOH
- log_k -14.1800
-# -a_e -1.418000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Na+ +1.000SO4-2 = NaSO4-
- log_k 0.7000
-# delta_h 4.6861
-# -a_e 1.520981E+00 0.000000E+00 -2.447754E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000NbO3- +2.000H+ +1.000H2O = Nb(OH)4+
- log_k 6.896
-# log_k entered manually, -a_e changed accordingly
-# -a_e 6.896000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000NbO3- +1.000H+ +2.000H2O = Nb(OH)5
- log_k 7.344
-# log_k entered manually, -a_e changed accordingly
-# -a_e 7.344000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Pd+2 +1.000Cl- = PdCl+
- log_k 5.1000
-# -a_e 5.100000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Pd+2 +2.000Cl- = PdCl2
- log_k 8.3000
-# -a_e 8.300000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Pd+2 +3.000Cl- = PdCl3-
- log_k 10.9000
-# -a_e 1.090000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Pd+2 +4.000Cl- = PdCl4-2
- log_k 11.7000
-# -a_e 1.170000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Pd+2 +1.000NH3 = PdNH3+2
- log_k 9.6000
-# -a_e 9.600000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Pd+2 +2.000NH3 = Pd(NH3)2+2
- log_k 18.5000
-# -a_e 1.850000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Pd+2 +3.000NH3 = Pd(NH3)3+2
- log_k 26.0000
-# -a_e 2.600000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Pd+2 +4.000NH3 = Pd(NH3)4+2
- log_k 32.8000
-# -a_e 3.280000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Pd+2 -2.000H+ +2.000H2O = Pd(OH)2
- log_k -4.0000
-# -a_e -4.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Pd+2 -3.000H+ +3.000H2O = Pd(OH)3-
- log_k -15.5000
-# -a_e -1.550000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000HSeO4- -1.000H+ = SeO4-2
- log_k -1.8000
-# delta_h -23.8000
-# -a_e -5.969655E+00 0.000000E+00 1.243183E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Sr+2 -1.000H+ +1.000HCO3- = SrCO3
- log_k -7.5238
-# delta_h 36.7281
-# -a_e -1.089061E+02 -1.970249E-02 5.151790E+03 3.892561E+01 -5.637139E+05
-# -gamma 0.00 0.00
-
- +1.000Sr+2 +1.000HCO3- = SrHCO3+
- log_k 1.1846
-# delta_h 25.3008
-# -a_e -3.248000E+00 1.486700E-02 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Sr+2 +1.000H2O -1.000H+ = SrOH+
- log_k -13.2900
-# -a_e -1.329000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Sr+2 +1.000SO4-2 = SrSO4
- log_k 2.2900
-# delta_h 8.7027
-# -a_e 3.814678E+00 0.000000E+00 -4.545828E+02 0.000000E+00 -0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Am+3 +1.000H2O -1.000H+ = AmOH+2
- log_k -7.3000
-# -a_e -7.300000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Am+3 +2.000H2O -2.000H+ = Am(OH)2+
- log_k -15.2000
-# -a_e -1.520000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Am+3 +3.000H2O -3.000H+ = Am(OH)3
- log_k -25.7000
-# -a_e -2.570000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Am+3 +1.000F- = AmF+2
- log_k 3.4000
-# -a_e 3.400000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Am+3 +2.000F- = AmF2+
- log_k 5.8000
-# -a_e 5.800000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Am+3 +1.000Cl- = AmCl+2
- log_k 1.0500
-# -a_e 1.050000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Am+3 +1.000SO4-2 = AmSO4+
- log_k 3.8500
-# -a_e 3.850000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Am+3 +2.000SO4-2 = Am(SO4)2-
- log_k 5.4000
-# -a_e 5.400000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Am+3 +1.000NO3- = AmNO3+2
- log_k 1.3300
-# -a_e 1.330000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Am+3 +1.000H2PO4- = AmH2PO4+2
- log_k 3.0000
-# -a_e 3.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Am+3 +1.000CO3-2 = AmCO3+
- log_k 7.8000
-# -a_e 7.800000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Am+3 +2.000CO3-2 = Am(CO3)2-
- log_k 12.3000
-# -a_e 1.230000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Am+3 +3.000CO3-2 = Am(CO3)3-3
- log_k 15.2000
-# -a_e 1.520000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Eu+3 +1.000H2O -1.000H+ = EuOH+2
- log_k -7.6400
-# -a_e -7.640000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Eu+3 +2.000H2O -2.000H+ = Eu(OH)2+
- log_k -15.1000
-# -a_e -1.510000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Eu+3 +3.000H2O -3.000H+ = Eu(OH)3
- log_k -23.7000
-# -a_e -2.370000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Eu+3 +4.000H2O -4.000H+ = Eu(OH)4-
- log_k -36.2000
-# -a_e -3.620000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Eu+3 +1.000CO3-2 = EuCO3+
- log_k 8.1000
-# -a_e 8.100000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Eu+3 +2.000CO3-2 = Eu(CO3)2-
- log_k 12.1000
-# -a_e 1.210000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Eu+3 +1.000SO4-2 = EuSO4+
- log_k 3.9500
-# -a_e 3.950000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Eu+3 +2.000SO4-2 = Eu(SO4)2-
- log_k 5.7000
-# -a_e 5.700000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Eu+3 +1.000F- = EuF+2
- log_k 3.8000
-# -a_e 3.800000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Eu+3 +2.000F- = EuF2+
- log_k 6.5000
-# -a_e 6.500000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Eu+3 +1.000Cl- = EuCl+2
- log_k 1.1000
-# -a_e 1.100000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Eu+3 +2.000Cl- = EuCl2+
- log_k 1.5000
-# -a_e 1.500000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ni+2 +1.000H2O -1.000H+ = NiOH+
- log_k -9.5000
-# delta_h 50.0000
-# -a_e -7.402203E-01 0.000000E+00 -2.611728E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ni+2 +2.000H2O -2.000H+ = Ni(OH)2
- log_k -18.0000
-# delta_h 85.7600
-# -a_e -2.975226E+00 0.000000E+00 -4.479636E+03 0.000000E+00 -0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Ni+2 +3.000H2O -3.000H+ = Ni(OH)3-
- log_k -29.7000
-# delta_h 120.5900
-# -a_e -8.573163E+00 0.000000E+00 -6.298966E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ni+2 +4.000H2O -4.000H+ = Ni(OH)4-2
- log_k -44.9000
-# -a_e -4.490000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +2.000Ni+2 +1.000H2O -1.000H+ = Ni2OH+3
- log_k -9.8000
-# delta_h 35.0000
-# -a_e -3.668154E+00 0.000000E+00 -1.828210E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +4.000Ni+2 +4.000H2O -4.000H+ = Ni4(OH)4+4
- log_k -27.9000
-# delta_h 170.0000
-# -a_e 1.883251E+00 0.000000E+00 -8.879876E+03 0.000000E+00 -0.000000E+00
- -gamma 5.00 0.00
-
- +1.000Ni+2 +1.000F- = NiF+
- log_k 1.3000
-# -a_e 1.300000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ni+2 +1.000Cl- = NiCl+
- log_k 0.4000
-# -a_e 4.000000E-01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ni+2 +2.000Cl- = NiCl2
- log_k 0.9600
-# -a_e 9.600000E-01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Ni+2 +1.000HS- = NiHS+
- log_k 5.5000
-# -a_e 5.500000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ni+2 +1.000SO4-2 = NiSO4
- log_k 2.3100
-# delta_h 13.9750
-# -a_e 4.758358E+00 0.000000E+00 -7.299781E+02 0.000000E+00 -0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Ni+2 +2.000SO4-2 = Ni(SO4)2-2
- log_k 3.2000
-# -a_e 3.200000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ni+2 +1.000NO3- = NiNO3+
- log_k 0.4000
-# -a_e 4.000000E-01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ni+2 +2.000NO3- = Ni(NO3)2
- log_k -0.6000
-# -a_e -6.000000E-01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Ni+2 +1.000NH3 = NiNH3+2
- log_k 2.7000
-# -a_e 2.700000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ni+2 +2.000NH3 = Ni(NH3)2+2
- log_k 4.9000
-# -a_e 4.900000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ni+2 +3.000NH3 = Ni(NH3)3+2
- log_k 6.5000
-# -a_e 6.500000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ni+2 +4.000NH3 = Ni(NH3)4+2
- log_k 7.6000
-# -a_e 7.600000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ni+2 +5.000NH3 = Ni(NH3)5+2
- log_k 8.3000
-# -a_e 8.300000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ni+2 +6.000NH3 = Ni(NH3)6+2
- log_k 8.2000
-# -a_e 8.200000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ni+2 +1.000H2PO4- = NiH2PO4+
- log_k 1.5440
-# -a_e 1.544000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ni+2 +1.000HPO4-2 = NiHPO4
- log_k 2.9340
-# -a_e 2.934000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Ni+2 +1.000PO4-3 = NiPO4-
- log_k 8.3740
-# -a_e 8.374000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ni+2 +2.000HPO4-2 +1.000H+ -1.000H2O = NiHP2O7-
- log_k 9.2580
-# -a_e 9.258000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ni+2 +2.000HPO4-2 -1.000H2O = NiP2O7-2
- log_k 3.0880
-# delta_h 9.9170
-# -a_e 4.825415E+00 0.000000E+00 -5.180102E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ni+2 +1.000CO3-2 = NiCO3
- log_k 4.0000
-# -a_e 4.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Ni+2 +2.000CO3-2 = Ni(CO3)2-2
- log_k 6.0000
-# -a_e 6.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ni+2 +1.000HCO3- = NiHCO3+
- log_k 1.0000
-# -a_e 1.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Np+3 +1.000H2O -1.000H+ = NpOH+2
- log_k -6.8000
-# -a_e -6.800000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 5.00 0.00
-
- +1.000Np+4 +1.000H2O -1.000H+ = NpOH+3
- log_k -0.2900
-# -a_e -2.900000E-01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Np+4 +4.000H2O -4.000H+ = Np(OH)4
- log_k -9.8000
-# -a_e -9.800000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Np+4 +1.000F- = NpF+3
- log_k 8.9600
-# delta_h 1.5000
-# -a_e 9.222793E+00 0.000000E+00 -7.835185E+01 0.000000E+00 -0.000000E+00
- -gamma 6.00 0.00
-
- +1.000Np+4 +2.000F- = NpF2+2
- log_k 15.7000
-# -a_e 1.570000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Np+4 +1.000Cl- = NpCl+3
- log_k 1.5000
-# -a_e 1.500000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 6.00 0.00
-
- +1.000Np+4 +1.000SO4-2 = NpSO4+2
- log_k 6.8500
-# delta_h 29.8000
-# -a_e 1.207083E+01 0.000000E+00 -1.556590E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Np+4 +2.000SO4-2 = Np(SO4)2
- log_k 11.0500
-# delta_h 55.4000
-# -a_e 2.075584E+01 0.000000E+00 -2.893795E+03 0.000000E+00 -0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Np+4 +1.000NO3- = NpNO3+3
- log_k 1.9000
-# -a_e 1.900000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 6.00 0.00
-
- +1.000Np+4 +4.000CO3-2 = Np(CO3)4-4
- log_k 36.6900
-# -a_e 3.669000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 6.00 0.00
-
- +1.000Np+4 +5.000CO3-2 = Np(CO3)5-6
- log_k 35.6200
-# -a_e 3.562000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 9.00 0.00
-
- +1.000NpO2+ +1.000H2O -1.000H+ = NpO2(OH)
- log_k -11.3000
-# -a_e -1.130000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000NpO2+ +2.000H2O -2.000H+ = NpO2(OH)2-
- log_k -23.6000
-# -a_e -2.360000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000NpO2+ +1.000F- = NpO2F
- log_k 1.2000
-# -a_e 1.200000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000NpO2+ +1.000SO4-2 = NpO2SO4-
- log_k 0.4400
-# delta_h 23.2000
-# -a_e 4.504538E+00 0.000000E+00 -1.211842E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000NpO2+ +1.000HPO4-2 = NpO2HPO4-
- log_k 2.9500
-# -a_e 2.950000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000NpO2+ +1.000CO3-2 = NpO2CO3-
- log_k 4.9600
-# -a_e 4.960000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000NpO2+ +2.000CO3-2 = NpO2(CO3)2-3
- log_k 6.5300
-# -a_e 6.530000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000NpO2+ +3.000CO3-2 = NpO2(CO3)3-5
- log_k 5.5000
-# delta_h -13.3000
-# -a_e 3.169899E+00 0.000000E+00 6.947197E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000NpO2+ +2.000CO3-2 +1.000H2O -1.000H+ = NpO2(CO3)2OH-4
- log_k -5.3000
-# -a_e -5.300000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000NpO2+2 +1.000H2O -1.000H+ = NpO2OH+
- log_k -5.1000
-# -a_e -5.100000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000NpO2+2 +3.000H2O -3.000H+ = NpO2(OH)3-
- log_k -19.0000
-# -a_e -1.900000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000NpO2+2 +4.000H2O -4.000H+ = NpO2(OH)4-2
- log_k -33.0000
-# -a_e -3.300000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +2.000NpO2+2 +2.000H2O -2.000H+ = (NpO2)2(OH)2+2
- log_k -6.2700
-# -a_e -6.270000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +3.000NpO2+2 +5.000H2O -5.000H+ = (NpO2)3(OH)5+
- log_k -17.1200
-# -a_e -1.712000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 3.00 0.00
-
- +1.000NpO2+2 +1.000F- = NpO2F+
- log_k 4.5700
-# -a_e 4.570000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000NpO2+2 +2.000F- = NpO2F2
- log_k 7.6000
-# -a_e 7.600000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000NpO2+2 +1.000Cl- = NpO2Cl+
- log_k 0.4000
-# -a_e 4.000000E-01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000NpO2+2 +1.000SO4-2 = NpO2SO4
- log_k 3.2800
-# delta_h 16.7000
-# -a_e 6.205766E+00 0.000000E+00 -8.723173E+02 0.000000E+00 -0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000NpO2+2 +2.000SO4-2 = NpO2(SO4)2-2
- log_k 4.7000
-# delta_h 26.0000
-# -a_e 9.255085E+00 0.000000E+00 -1.358099E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000NpO2+2 +1.000CO3-2 = NpO2CO3
- log_k 9.3200
-# -a_e 9.320000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000NpO2+2 +2.000CO3-2 = NpO2(CO3)2-2
- log_k 16.5200
-# -a_e 1.652000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000NpO2+2 +3.000CO3-2 = NpO2(CO3)3-4
- log_k 19.3700
-# delta_h -41.9000
-# -a_e 1.202930E+01 0.000000E+00 2.188628E+03 0.000000E+00 -0.000000E+00
- -gamma 3.00 0.00
-
- +3.000NpO2+2 +6.000CO3-2 = (NpO2)3(CO3)6-6
- log_k 49.8400
-# -a_e 4.984000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Pu+3 +1.000H2O -1.000H+ = PuOH+2
- log_k -6.9000
-# -a_e -6.900000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Pu+3 +1.000Cl- = PuCl+2
- log_k 1.2000
-# -a_e 1.200000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Pu+3 +1.000SO4-2 = PuSO4+
- log_k 3.9000
-# delta_h 17.2000
-# -a_e 6.913364E+00 0.000000E+00 -8.984345E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Pu+3 +2.000SO4-2 = Pu(SO4)2-
- log_k 5.7000
-# delta_h 12.0000
-# -a_e 7.802347E+00 0.000000E+00 -6.268148E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Pu+4 +1.000H2O -1.000H+ = PuOH+3
- log_k -0.7800
-# delta_h 36.0000
-# -a_e 5.527041E+00 0.000000E+00 -1.880444E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Pu+4 +4.000H2O -4.000H+ = Pu(OH)4
- log_k -8.4000
-# -a_e -8.400000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Pu+4 +1.000F- = PuF+3
- log_k 8.8400
-# delta_h 9.1000
-# -a_e 1.043428E+01 0.000000E+00 -4.753346E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Pu+4 +2.000F- = PuF2+2
- log_k 15.7000
-# delta_h 11.0000
-# -a_e 1.762715E+01 0.000000E+00 -5.745802E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Pu+4 +1.000Cl- = PuCl+3
- log_k 1.8000
-# -a_e 1.800000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Pu+4 +1.000SO4-2 = PuSO4+2
- log_k 6.8900
-# -a_e 6.890000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Pu+4 +2.000SO4-2 = Pu(SO4)2
- log_k 11.1400
-# -a_e 1.114000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Pu+4 +1.000NO3- = PuNO3+3
- log_k 1.9500
-# -a_e 1.950000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Pu+4 +1.000H3PO4 = PuH3PO4+4
- log_k 2.4000
-# -a_e 2.400000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Pu+4 +4.000CO3-2 = Pu(CO3)4-4
- log_k 35.9000
-# -a_e 3.590000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Pu+4 +5.000CO3-2 = Pu(CO3)5-6
- log_k 34.5000
-# -a_e 3.450000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 6.00 0.00
-
- +1.000PuO2+ +1.000H2O -1.000H+ = PuO2OH
- log_k -9.7300
-# -a_e -9.730000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000PuO2+ +1.000CO3-2 = PuO2CO3-
- log_k 5.1200
-# -a_e 5.120000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000PuO2+ +3.000CO3-2 = PuO2(CO3)3-5
- log_k 5.0000
-# delta_h -19.1100
-# -a_e 1.652012E+00 0.000000E+00 9.982026E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000PuO2+2 +1.000H2O -1.000H+ = PuO2OH+
- log_k -5.5000
-# delta_h 28.0000
-# -a_e -5.945234E-01 0.000000E+00 -1.462568E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000PuO2+2 +2.000H2O -2.000H+ = PuO2(OH)2
- log_k -13.2000
-# -a_e -1.320000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +2.000PuO2+2 +2.000H2O -2.000H+ = (PuO2)2(OH)2+2
- log_k -7.5000
-# -a_e -7.500000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000PuO2+2 +1.000F- = PuO2F+
- log_k 4.5600
-# -a_e 4.560000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000PuO2+2 +2.000F- = PuO2F2
- log_k 7.2500
-# -a_e 7.250000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000PuO2+2 +1.000Cl- = PuO2Cl+
- log_k 0.7000
-# -a_e 7.000000E-01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000PuO2+2 +2.000Cl- = PuO2Cl2
- log_k -0.6000
-# -a_e -6.000000E-01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000PuO2+2 +1.000SO4-2 = PuO2SO4
- log_k 3.3800
-# delta_h 16.1000
-# -a_e 6.200649E+00 0.000000E+00 -8.409765E+02 0.000000E+00 -0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000PuO2+2 +2.000SO4-2 = PuO2(SO4)2-2
- log_k 4.4000
-# delta_h 43.0000
-# -a_e 1.193341E+01 0.000000E+00 -2.246086E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000PuO2+2 +1.000CO3-2 = PuO2CO3
- log_k 9.3000
-# -a_e 9.300000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000PuO2+2 +2.000CO3-2 = PuO2(CO3)2-2
- log_k 14.6000
-# delta_h -27.0000
-# -a_e 9.869719E+00 0.000000E+00 1.410333E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000PuO2+2 +3.000CO3-2 = PuO2(CO3)3-4
- log_k 17.7000
-# delta_h -38.6000
-# -a_e 1.093745E+01 0.000000E+00 2.016254E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ra+2 +1.000OH- = RaOH+
- log_k 0.5000
-# delta_h 4.6000
-# -a_e 1.305900E+00 0.000000E+00 -2.402790E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ra+2 +1.000Cl- = RaCl+
- log_k -0.1000
-# delta_h 2.1000
-# -a_e 2.679107E-01 0.000000E+00 -1.096926E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ra+2 +1.000CO3-2 = RaCO3
- log_k 2.5000
-# delta_h 4.4800
-# -a_e 3.284876E+00 0.000000E+00 -2.340109E+02 0.000000E+00 -0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Ra+2 +1.000SO4-2 = RaSO4
- log_k 2.7500
-# delta_h 5.4000
-# -a_e 3.696056E+00 0.000000E+00 -2.820667E+02 0.000000E+00 -0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000TcO(OH)2 +2.000H+ -2.000H2O = TcO+2
- log_k 4.0000
-# -a_e 4.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.50 0.00
-
- +1.000TcO(OH)2 +1.000H+ -1.000H2O = TcO(OH)+
- log_k 2.5000
-# -a_e 2.500000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000TcO(OH)2 +1.000H2O -1.000H+ = TcO(OH)3-
- log_k -10.9000
-# -a_e -1.090000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000TcO(OH)2 +1.000CO3-2 +2.000H+ -1.000H2O = TcCO3(OH)2
- log_k 19.3000
-# -a_e 1.930000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000TcO(OH)2 +1.000H+ +1.000CO3-2 = TcCO3(OH)3-
- log_k 11.0000
-# -a_e 1.100000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000UO2+2 +1.000H2O -1.000H+ = UO2OH+
- log_k -5.2000
-# -a_e -5.200000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000UO2+2 +2.000H2O -2.000H+ = UO2(OH)2
- log_k -12.0000
-# -a_e -1.200000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000UO2+2 +3.000H2O -3.000H+ = UO2(OH)3-
- log_k -19.2000
-# -a_e -1.920000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000UO2+2 +4.000H2O -4.000H+ = UO2(OH)4-2
- log_k -33.0000
-# -a_e -3.300000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +2.000UO2+2 +1.000H2O -1.000H+ = (UO2)2OH+3
- log_k -2.7000
-# -a_e -2.700000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +2.000UO2+2 +2.000H2O -2.000H+ = (UO2)2(OH)2+2
- log_k -5.6200
-# -a_e -5.620000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +3.000UO2+2 +4.000H2O -4.000H+ = (UO2)3(OH)4+2
- log_k -11.9000
-# -a_e -1.190000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +3.000UO2+2 +5.000H2O -5.000H+ = (UO2)3(OH)5+
- log_k -15.5500
-# -a_e -1.555000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +3.000UO2+2 +7.000H2O -7.000H+ = (UO2)3(OH)7-
- log_k -31.0000
-# -a_e -3.100000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +4.000UO2+2 +7.000H2O -7.000H+ = (UO2)4(OH)7+
- log_k -21.9000
-# -a_e -2.190000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000U+4 +1.000H2O -1.000H+ = UOH+3
- log_k -0.5400
-# delta_h 46.9100
-# -a_e 7.678481E+00 0.000000E+00 -2.450324E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000U+4 +4.000H2O -4.000H+ = U(OH)4
- log_k -9.0000
-# -a_e -9.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000UO2+2 +1.000F- = UO2F+
- log_k 5.0900
-# delta_h 1.7000
-# -a_e 5.387833E+00 0.000000E+00 -8.879876E+01 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000UO2+2 +2.000F- = UO2F2
- log_k 8.6200
-# delta_h 2.1000
-# -a_e 8.987911E+00 0.000000E+00 -1.096926E+02 0.000000E+00 -0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000UO2+2 +3.000F- = UO2F3-
- log_k 10.9000
-# delta_h 2.3500
-# -a_e 1.131171E+01 0.000000E+00 -1.227512E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000UO2+2 +4.000F- = UO2F4-2
- log_k 11.7000
-# delta_h 0.2900
-# -a_e 1.175081E+01 0.000000E+00 -1.514802E+01 0.000000E+00 -0.000000E+00
- -gamma 6.00 0.00
-
- +1.000U+4 +1.000F- = UF+3
- log_k 9.2800
-# delta_h -5.6000
-# -a_e 8.298905E+00 0.000000E+00 2.925136E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000U+4 +2.000F- = UF2+2
- log_k 16.2300
-# delta_h -3.5000
-# -a_e 1.561682E+01 0.000000E+00 1.828210E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000U+4 +3.000F- = UF3+
- log_k 21.6000
-# delta_h 0.5000
-# -a_e 2.168760E+01 0.000000E+00 -2.611728E+01 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000U+4 +4.000F- = UF4
- log_k 25.6000
-# delta_h -4.2060
-# -a_e 2.486365E+01 0.000000E+00 2.196986E+02 0.000000E+00 -0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000U+4 +5.000F- = UF5-
- log_k 27.0100
-# -a_e 2.701000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000U+4 +6.000F- = UF6-2
- log_k 29.0800
-# -a_e 2.908000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000UO2+2 +1.000Cl- = UO2Cl+
- log_k 0.1700
-# delta_h 8.0000
-# -a_e 1.571565E+00 0.000000E+00 -4.178765E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000UO2+2 +2.000Cl- = UO2Cl2
- log_k -1.1000
-# delta_h 15.0000
-# -a_e 1.527934E+00 0.000000E+00 -7.835185E+02 0.000000E+00 -0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000U+4 +1.000Cl- = UCl+3
- log_k 1.7200
-# delta_h -19.0000
-# -a_e -1.608716E+00 0.000000E+00 9.924568E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000UO2+2 +1.000SO4-2 = UO2SO4
- log_k 3.1500
-# delta_h 19.5000
-# -a_e 6.566314E+00 0.000000E+00 -1.018574E+03 0.000000E+00 -0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000UO2+2 +2.000SO4-2 = UO2(SO4)2-2
- log_k 4.1400
-# delta_h 35.1000
-# -a_e 1.028937E+01 0.000000E+00 -1.833433E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000U+4 +1.000SO4-2 = USO4+2
- log_k 6.5800
-# delta_h 8.0000
-# -a_e 7.981565E+00 0.000000E+00 -4.178765E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000U+4 +2.000SO4-2 = U(SO4)2
- log_k 10.5100
-# delta_h 32.7000
-# -a_e 1.623890E+01 0.000000E+00 -1.708070E+03 0.000000E+00 -0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000UO2+2 +1.000NO3- = UO2NO3+
- log_k 0.3000
-# -a_e 3.000000E-01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000U+4 +1.000NO3- = UNO3+3
- log_k 1.4700
-# -a_e 1.470000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000U+4 +2.000NO3- = U(NO3)2+2
- log_k 2.3000
-# -a_e 2.300000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000UO2+2 +1.000PO4-3 = UO2PO4-
- log_k 13.2300
-# -a_e 1.323000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000UO2+2 +1.000HPO4-2 = UO2HPO4
- log_k 7.2400
-# -a_e 7.240000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000UO2+2 +1.000H3PO4 -1.000H+ = UO2H2PO4+
- log_k 1.1200
-# -a_e 1.120000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000UO2+2 +1.000H3PO4 = UO2H3PO4+2
- log_k 0.7600
-# -a_e 7.600000E-01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000UO2+2 +2.000H3PO4 -2.000H+ = UO2(H2PO4)2
- log_k 0.6400
-# -a_e 6.400000E-01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000UO2+2 +1.000CO3-2 = UO2CO3
- log_k 9.6700
-# delta_h 5.0000
-# -a_e 1.054598E+01 0.000000E+00 -2.611728E+02 0.000000E+00 -0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000UO2+2 +2.000CO3-2 = UO2(CO3)2-2
- log_k 16.9400
-# delta_h 18.5000
-# -a_e 2.018112E+01 0.000000E+00 -9.663395E+02 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000UO2+2 +3.000CO3-2 = UO2(CO3)3-4
- log_k 21.6000
-# delta_h -39.2000
-# -a_e 1.473233E+01 0.000000E+00 2.047595E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +3.000UO2+2 +6.000CO3-2 = (UO2)3(CO3)6-6
- log_k 54.0000
-# delta_h -62.7000
-# -a_e 4.301524E+01 0.000000E+00 3.275107E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +2.000UO2+2 +3.000H2O -3.000H+ +1.000CO3-2 = (UO2)2CO3(OH)3-
- log_k -0.8600
-# -a_e -8.600000E-01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000U+4 +4.000CO3-2 = U(CO3)4-4
- log_k 35.2200
-# -a_e 3.522000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000U+4 +5.000CO3-2 = U(CO3)5-6
- log_k 34.1000
-# delta_h -20.0000
-# -a_e 3.059609E+01 0.000000E+00 1.044691E+03 0.000000E+00 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Th+4 +1.000H2O -1.000H+ = ThOH+3
- log_k -2.4000
-# -a_e -2.400000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Th+4 +4.000H2O -4.000H+ = Th(OH)4
- log_k -18.4000
-# -a_e -1.840000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Th+4 +1.000F- = ThF+3
- log_k 8.0000
-# -a_e 8.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Th+4 +2.000F- = ThF2+2
- log_k 14.2000
-# -a_e 1.420000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Th+4 +3.000F- = ThF3+
- log_k 18.9000
-# -a_e 1.890000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Th+4 +4.000F- = ThF4
- log_k 22.3000
-# -a_e 2.230000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Th+4 +5.000CO3-2 = Th(CO3)5-6
- log_k 29.8000
-# -a_e 2.980000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Th+4 +1.000CO3-2 -3.000H+ +3.000H2O = ThCO3(OH)3-
- log_k -3.1000
-# -a_e -3.100000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Th+4 +1.000HPO4-2 = ThHPO4+2
- log_k 13.0000
-# -a_e 1.300000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Th+4 +1.000SO4-2 = ThSO4+2
- log_k 7.6000
-# -a_e 7.600000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Th+4 +2.000SO4-2 = Th(SO4)2
- log_k 11.6000
-# -a_e 1.160000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Th+4 +3.000SO4-2 = Th(SO4)3-2
- log_k 12.4000
-# -a_e 1.240000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +2.000UO2+2 +1.000PuO2+2 +6.000CO3-2 = (UO2)2PuO2(CO3)6-6
- log_k 52.7000
-# -a_e 5.270000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 6.00 0.00
-
- +2.000NpO2+2 +1.000CO3-2 +3.000H2O -3.000H+ = (NpO2)2CO3(OH)3-
- log_k -2.8700
-# -a_e -2.870000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +2.000UO2+2 +1.000NpO2+2 +6.000CO3-2 = (UO2)2NpO2(CO3)6-6
- log_k 53.5900
-# -a_e 5.359000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 6.00 0.00
-
- +1.000UO2+2 +2.000H3PO4 -1.000H+ = UO2H2PO4H3PO4+
- log_k 1.6500
-# -a_e 1.650000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000UO2+ +3.000CO3-2 = UO2(CO3)3-5
- log_k 7.4100
-# -a_e 7.410000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Zr+4 +1.000H2O -1.000H+ = ZrOH+3
- log_k 0.3000
-# -a_e 3.000000E-01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Zr+4 +4.000H2O -4.000H+ = Zr(OH)4
- log_k -9.7000
-# -a_e -9.700000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Zr+4 +5.000H2O -5.000H+ = Zr(OH)5-
- log_k -16.0000
-# -a_e -1.600000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Zr+4 +2.000F- = ZrF2+2
- log_k 18.5000
-# -a_e 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Zr+4 +3.000F- = ZrF3+
- log_k 24.7000
-# -a_e 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Zr+4 +4.000F- = ZrF4
- log_k 30.1000
-# -a_e 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Zr+4 +1.000SO4-2 = ZrSO4+2
- log_k 7.0000
-# -a_e 7.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Zr+4 +6.000F- = ZrF6-2
- log_k 38.4000
-# -a_e 3.840000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Zr+4 +1.000F- = ZrF+3
- log_k 10.2000
-# -a_e 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Zr+4 +5.000F- = ZrF5-
- log_k 34.7000
-# -a_e 3.470000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Zr+4 +1.000Cl- = ZrCl+3
- log_k 1.5000
-# -a_e 1.500000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Sn+2 +1.000H2O -1.000H+ = SnOH+
- log_k -3.8000
-# -a_e -3.800000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Sn+2 +3.000H2O -3.000H+ = Sn(OH)3-
- log_k -17.5000
-# -a_e -1.750000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +3.000Sn+2 +4.000H2O -4.000H+ = Sn3(OH)4+2
- log_k -5.6000
-# -a_e -5.600000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Sn+2 +1.000Cl- = SnCl+
- log_k 1.7000
-# -a_e 1.700000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Sn+2 +3.000Cl- = SnCl3-
- log_k 2.1000
-# -a_e 2.100000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Sn+2 +1.000F- = SnF+
- log_k 5.0000
-# -a_e 5.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000HS- -1.000H+ = S-2
- log_k -19.0000
-# -a_e -1.900000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 5.00 0.00
-
- +1.000Sn+2 +2.000H2O -2.000H+ = Sn(OH)2
- log_k -7.7000
-# -a_e -7.700000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Ni+2 +2.000HS- = Ni(HS)2
- log_k 11.1000
-# -a_e 1.110000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000HS- +1.000H+ = H2S
- log_k 6.9900
-# delta_h -22.3000
-# -a_e 3.083138E+00 0.000000E+00 1.164831E+03 0.000000E+00 -0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Sn+2 +1.000SO4-2 = SnSO4
- log_k 2.6000
-# -a_e 2.600000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Sn+2 +1.000H2O +1.000Cl- -1.000H+ = SnOHCl
- log_k -3.1000
-# -a_e -3.100000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Sn+2 +2.000Cl- = SnCl2
- log_k 2.3600
-# -a_e 2.360000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Tn(OH)4 +1.000H2O -1.000H+ = Tn(OH)5-
- log_k -8.0000
-# -a_e -8.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Tn(OH)4 +2.000H2O -2.000H+ = Tn(OH)6-2
- log_k -18.4000
-# -a_e -1.840000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Pd+2 +3.000Cl- +1.000H2O -1.000H+ = PdCl3OH-2
- log_k 2.5000
-# -a_e 2.500000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Pd+2 +2.000Cl- +2.000H2O -2.000H+ = PdCl2(OH)2-2
- log_k -7.0000
-# -a_e -7.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Al+3 +2.000SO4-2 = Al(SO4)2-
- log_k 5.9000
-# -a_e 5.900000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +3.000UO2+2 +1.000CO3-2 +3.000H2O -3.000H+ = (UO2)3O(OH)2HCO3+
- log_k 0.6600
-# -a_e 6.600000E-01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000NpO2+2 +1.000HPO4-2 = NpO2HPO4
- log_k 6.2000
-# -a_e 6.200000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000NpO2+2 +1.000H2PO4- = NpO2H2PO4+
- log_k 3.3200
-# -a_e 3.320000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000NpO2+2 +2.000HPO4-2 = NpO2(HPO4)2-2
- log_k 9.5000
-# -a_e 9.500000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ca+2 +1.000SiO(OH)3- = CaSiO(OH)3+
- log_k 1.2000
-# -a_e 1.200000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Ca+2 +1.000SiO2(OH)2-2 = CaSiO2(OH)2
- log_k 4.6000
-# -a_e 4.600000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Mg+2 +1.000SiO(OH)3- = MgSiO(OH)3+
- log_k 1.5000
-# -a_e 1.500000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Mg+2 +1.000SiO2(OH)2-2 = MgSiO2(OH)2
- log_k 5.7000
-# -a_e 5.700000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
-# -gamma 0.00 0.00
-
- +1.000Al+3 +1.000SiO(OH)3- = AlSiO(OH)3+2
- log_k 7.4000
-# -a_e 7.400000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Fe+3 +1.000SiO(OH)3- = FeSiO(OH)3+2
- log_k 9.7000
-# -a_e 9.700000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Eu+3 +1.000SiO(OH)3- = EuSiO(OH)3+2
- log_k 7.9000
-# -a_e 7.900000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Eu+3 +2.000SiO(OH)3- = Eu(SiO(OH)3)2+
- log_k 12.8000
-# -a_e 1.280000E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Am+3 +1.000SiO(OH)3- = AmSiO(OH)3+2
- log_k 8.1000
-# -a_e 8.100000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Al+3 +1.000H2O -1.000H+ = AlOH+2
- log_k -4.9573
-# delta_h 49.7980
-# -a_e -4.073126E+01 0.000000E+00 -6.202912E+02 1.529820E+01 -0.000000E+00
- -gamma 4.00 0.00
-
- +1.000Al(OH)4- +1.000Si(OH)4 -1.000H2O = Al(OH)6SiO-
- log_k 3.6000
-# -a_e 3.600000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
- +1.000I- +1.000I2 = I3-
- log_k 2.8700
-# -a_e 2.870000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
- -gamma 4.00 0.00
-
-
-PHASES
-
-# PMATCH MINERALS
-
-Anhydrite
-CaSO4 = +1.000Ca+2 +1.000SO4-2
- log_k -4.3575
-# delta_h -7.1558
-# -a_e 1.975200E+02 -0.000000E+00 -8.668800E+03 -6.983500E+01 -0.000000E+00
-
-Aragonite
-CaCO3 = +1.000Ca+2 -1.000H+ +1.000HCO3-
- log_k 1.9928
-# delta_h -25.7343
-# -a_e -6.409020E+01 -4.546451E-02 -2.248497E+03 3.266939E+01 5.637139E+05
-
-As(cr)
-As = +1.000HAsO4-2 +7.000H+ +5.000e- -4.000H2O
- log_k -40.9902
-# delta_h 236.9800
-# -a_e 5.276891E-01 -0.000000E+00 -1.237855E+04 -0.000000E+00 0.000000E+00
-
-Barite
-BaSO4 = +1.000Ba+2 +1.000SO4-2
- log_k -9.9704
-# delta_h 26.5742
-# -a_e 1.360350E+02 -0.000000E+00 -7.680410E+03 -4.859500E+01 -0.000000E+00
-
-Brucite
-Mg(OH)2 = +1.000Mg+2 +2.000H2O -2.000H+
- log_k 16.8400
-# delta_h -113.3864
-# -a_e -3.024798E+00 -0.000000E+00 5.922689E+03 -0.000000E+00 0.000000E+00
-
-Calcite
-CaCO3 = +1.000Ca+2 -1.000H+ +1.000HCO3-
- log_k 1.8490
-# delta_h -24.5095
-# -a_e -6.401940E+01 -4.546451E-02 -2.312471E+03 3.266939E+01 5.637139E+05
-
-Celestite
-SrSO4 = +1.000Sr+2 +1.000SO4-2
- log_k -6.6319
-# delta_h -4.3389
-# -a_e -1.480596E+04 -2.466092E+00 7.569685E+05 5.436359E+03 -4.055360E+07
-
-Dolomite(dis)
-CaMg(CO3)2 = +1.000Ca+2 +1.000Mg+2 -2.000H+ +2.000HCO3-
- log_k 4.1180
-# delta_h -76.2020
-# -a_e -9.232255E+00 -0.000000E+00 3.980378E+03 -0.000000E+00 0.000000E+00
-
-Dolomite(ord)
-CaMg(CO3)2 = +1.000Ca+2 +1.000Mg+2 -2.000H+ +2.000HCO3-
- log_k 3.5680
-# delta_h -69.2820
-# -a_e -8.569901E+00 -0.000000E+00 3.618915E+03 -0.000000E+00 0.000000E+00
-
-Fe(cr)
-Fe = +1.000Fe+2 +2.000e-
- log_k 13.8229
-# delta_h -89.1000
-# -a_e -1.786995E+00 -0.000000E+00 4.654100E+03 -0.000000E+00 0.000000E+00
-
-Fluorite
-CaF2 = +1.000Ca+2 +2.000F-
- log_k -10.5997
-# delta_h 19.6419
-# -a_e 6.634800E+01 -0.000000E+00 -4.298200E+03 -2.527100E+01 -0.000000E+00
-
-Goethite
-FeOOH = +2.000H2O -3.000H+ +1.000Fe+3
- log_k -1.0000
-# -a_e -1.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-Graphite
-C = +1.000HCO3- +5.000H+ +4.000e- -3.000H2O
- log_k -21.8197
-# delta_h 167.2750
-# -a_e -2.081775E+02 -4.106888E-02 4.606129E+03 7.863525E+01 -1.015550E+06
-
-Gypsum
-CaSO4:2H2O = +1.000Ca+2 +1.000SO4-2 +2.000H2O
- log_k -4.5809
-# delta_h -0.4543
-# -a_e 6.824010E+01 -0.000000E+00 -3.221510E+03 -2.506270E+01 -0.000000E+00
-
-Hausmannite
-Mn3O4 = +3.000Mn+2 +4.000H2O -8.000H+ -2.000e-
- log_k 61.0300
-# delta_h -421.0778
-# -a_e -1.274097E+01 -0.000000E+00 2.199481E+04 -0.000000E+00 0.000000E+00
-
-Manganite
-MnOOH = +1.000Mn+2 +2.000H2O -3.000H+ -1.000e-
- log_k 25.3400
-# -a_e 2.534000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-Melanterite
-FeSO4:7H2O = +1.000Fe+2 +1.000SO4-2 +7.000H2O
- log_k -2.2093
-# delta_h 20.5364
-# -a_e 1.447000E+00 -4.153000E-03 -0.000000E+00 -0.000000E+00 -2.149490E+05
-
-Mo(cr)
-Mo = +1.000MoO4-2 +8.000H+ +6.000e- -4.000H2O
- log_k -19.6675
-# delta_h 145.4200
-# -a_e 5.809486E+00 -0.000000E+00 -7.595951E+03 -0.000000E+00 0.000000E+00
-
-Tugarinovite
-MoO2 = +1.000MoO4-2 +4.000H+ +2.000e- -2.000H2O
- log_k -29.9567
-# delta_h 162.7000
-# -a_e -1.452371E+00 -0.000000E+00 -8.498564E+03 -0.000000E+00 0.000000E+00
-
-Molybdite
-MoO3 = +1.000MoO4-2 +2.000H+ -1.000H2O
- log_k -12.0552
-# delta_h 33.0200
-# -a_e -6.270250E+00 -0.000000E+00 -1.724785E+03 -0.000000E+00 0.000000E+00
-
-Nb2O5(cr)
-Nb2O5 = +2.000NbO3- +2.000H+ -1.000H2O
- log_k -24.3417
-# -a_e -2.434168E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-NbO2(cr)
-NbO2 = +1.000NbO3- +2.000H+ +1.000e- -1.000H2O
- log_k -7.9784
-# -a_e -7.978407E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-Portlandite
-Ca(OH)2 = +1.000Ca+2 +2.000H2O -2.000H+
- log_k 22.8000
-# delta_h -129.7040
-# -a_e 7.643067E-02 -0.000000E+00 6.775032E+03 -0.000000E+00 0.000000E+00
-
-Pyrochroite
-Mn(OH)2 = +1.000Mn+2 +2.000H2O -2.000H+
- log_k 15.2000
-# -a_e 1.520000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-Pyrolusite
-MnO2 = +1.000Mn+2 +2.000H2O -4.000H+ -2.000e-
- log_k 41.3800
-# delta_h -272.4202
-# -a_e -6.346826E+00 -0.000000E+00 1.422975E+04 -0.000000E+00 0.000000E+00
-
-Rhodochrosite
-MnCO3 = +1.000Mn+2 +1.000HCO3- -1.000H+
- log_k -0.8011
-# delta_h -20.8838
-# -a_e 9.570888E+01 3.252849E-02 -4.839264E+03 -3.892561E+01 5.637139E+05
-
-Rhodochrosite(syn)
-MnCO3 = +1.000Mn+2 +1.000HCO3- -1.000H+
- log_k -0.0611
-# delta_h -14.9007
-# -a_e 9.749710E+01 3.252849E-02 -5.151790E+03 -3.892561E+01 5.637139E+05
-
-Siderite
-FeCO3 = +1.000Fe+2 +1.000HCO3- -1.000H+
- log_k -0.5612
-# delta_h -25.2770
-# -a_e 9.517921E+01 3.252849E-02 -4.609790E+03 -3.892561E+01 5.637139E+05
-
-FeCO3(pr)
-FeCO3 = +1.000Fe+2 +1.000HCO3- -1.000H+
- log_k -0.1211
-# delta_h -14.9007
-# -a_e 9.743710E+01 3.252849E-02 -5.151790E+03 -3.892561E+01 5.637139E+05
-
-Strontianite
-SrCO3 = +1.000Sr+2 -1.000H+ +1.000HCO3-
- log_k 1.0583
-# delta_h -16.5756
-# -a_e 2.629176E+02 3.252849E-02 -1.239138E+04 -9.551199E+01 5.637139E+05
-
-Witherite
-BaCO3 = +1.000Ba+2 -1.000H+ +1.000HCO3-
- log_k 1.7672
-# delta_h -11.9609
-# -a_e 7.155291E+02 1.536265E-01 -2.516304E+04 -2.754204E+02 5.637139E+05
-
-Hematite
-Fe2O3 = +3.000H2O -6.000H+ +2.000Fe+3
- log_k 1.1200
-# -a_e 1.120000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-Pyrite
-FeS2 = +1.000Fe+2 +2.000HS- -2.000H+ -2.000e-
- log_k -18.5000
-# -a_e -1.850000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-Troilite
-FeS = +1.000Fe+2 +1.000HS- -1.000H+
- log_k -5.3100
-# -a_e -5.310000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-Magnesite
-MgCO3 = +1.000Mg+2 -1.000H+ +1.000HCO3-
- log_k 2.0410
-# -a_e 2.041000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-Am(OH)3(cr)
-Am(OH)3 = +1.000Am+3 +3.000H2O -3.000H+
- log_k 15.2000
-# -a_e 1.520000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-Am(OH)3(am)
-Am(OH)3 = +1.000Am+3 +3.000H2O -3.000H+
- log_k 17.0000
-# -a_e 1.700000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-AmCO3OH(cr)
-AmCO3OH = +1.000Am+3 +1.000CO3-2 +1.000OH-
- log_k -21.2000
-# -a_e -2.120000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-Am(CO3)1.5(cr)
-Am(CO3)1.5 = +1.000Am+3 +1.500CO3-2
- log_k -16.7000
-# -a_e -1.670000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-Eu(OH)3(cr)
-Eu(OH)3 = +1.000Eu+3 +3.000H2O -3.000H+
- log_k 14.9000
-# delta_h -124.3900
-# -a_e -6.892580E+00 -0.000000E+00 6.497458E+03 -0.000000E+00 0.000000E+00
-
-Eu(OH)3(am)
-Eu(OH)3 = +1.000Eu+3 +3.000H2O -3.000H+
- log_k 17.6000
-# -a_e 1.760000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-Eu2(CO3)3(cr)
-Eu2(CO3)3 = +2.000Eu+3 +3.000CO3-2
- log_k -35.0000
-# -a_e -3.500000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-EuOHCO3(cr)
-EuOHCO3 = +1.000Eu+3 +1.000OH- +1.000CO3-2
- log_k -21.7000
-# -a_e -2.170000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-EuF3(cr)
-EuF3 = +1.000Eu+3 +3.000F-
- log_k -17.4000
-# -a_e -1.740000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-Theophrastite
-Ni(OH)2 = +1.000Ni+2 +2.000H2O -2.000H+
- log_k 10.5000
-# -a_e 1.050000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-NiCO3(cr)
-NiCO3 = +1.000Ni+2 +1.000CO3-2
- log_k -11.2000
-# -a_e -1.120000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-NpO2(am,hyd)
-NpO2 = +1.000Np+4 +2.000H2O -4.000H+
- log_k 1.5000
-# -a_e 1.500000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-NpO2OH(am,fr)
-NpO2OH = +1.000NpO2+ +1.000H2O -1.000H+
- log_k 5.3000
-# delta_h -41.1000
-# -a_e -1.900539E+00 -0.000000E+00 2.146841E+03 -0.000000E+00 0.000000E+00
-
-NpO2CO3(s)
-NpO2CO3 = +1.000NpO2+2 +1.000CO3-2
- log_k -14.6000
-# -a_e -1.460000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-Pu(OH)3(cr)
-Pu(OH)3 = +1.000Pu+3 +3.000H2O -3.000H+
- log_k 15.8000
-# -a_e 1.580000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-Pu(HPO4)2(am,hyd)
-Pu(HPO4)2 = +1.000Pu+4 +2.000HPO4-2
- log_k -30.4500
-# -a_e -3.045000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-PuO2OH(am)
-PuO2OH = +1.000PuO2+ +1.000H2O -1.000H+
- log_k 5.0000
-# -a_e 5.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-RaCO3(cr)
-RaCO3 = +1.000Ra+2 +1.000CO3-2
- log_k -8.3000
-# delta_h 11.7000
-# -a_e -6.250212E+00 -0.000000E+00 -6.111444E+02 -0.000000E+00 0.000000E+00
-
-RaSO4(cr)
-RaSO4 = +1.000Ra+2 +1.000SO4-2
- log_k -10.2600
-# delta_h 39.3000
-# -a_e -3.374813E+00 -0.000000E+00 -2.052818E+03 -0.000000E+00 0.000000E+00
-
-TcO2:1.6H2O(s)
-TcO2:1.6(H2O) = +1.000TcO(OH)2 +0.600H2O
- log_k -8.4000
-# -a_e -8.400000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-UO2(s)
-UO2 = +1.000U+4 +2.000H2O -4.000H+
- log_k -0.0000
-# -a_e -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-Schoepite
-UO3:2H2O = +1.000UO2+2 +3.000H2O -2.000H+
- log_k 5.9600
-# -a_e 5.960000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-UF4:2.5H2O(cr)
-UF4:2.5H2O = +1.000U+4 +4.000F- +2.500H2O
- log_k -29.3800
-# -a_e -2.938000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-U(OH)2SO4(cr)
-U(OH)2SO4 = +1.000U+4 +1.000SO4-2 +2.000H2O -2.000H+
- log_k -3.1700
-# -a_e -3.170000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-Rutherfordine
-UO2CO3 = +1.000UO2+2 +1.000CO3-2
- log_k -14.4900
-# -a_e -1.449000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-NpO2OH(am,ag)
-NpO2OH = +1.000NpO2+ +1.000H2O -1.000H+
- log_k 4.7000
-# delta_h -41.1000
-# -a_e -2.500539E+00 -0.000000E+00 2.146841E+03 -0.000000E+00 0.000000E+00
-
-PuO2(hyd,ag)
-PuO2 = +1.000Pu+4 +2.000H2O -4.000H+
- log_k -2.0000
-# -a_e -2.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-ThO2(s)
-ThO2 = +1.000Th+4 +2.000H2O -4.000H+
- log_k 9.9000
-# -a_e 9.900000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-ThF4(cr)
-ThF4 = +1.000Th+4 +4.000F-
- log_k -30.2000
-# -a_e -3.020000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-PuO2(OH)2:H2O(cr)
-PuO2(OH)2:H2O = +1.000PuO2+2 +3.000H2O -2.000H+
- log_k 5.5000
-# -a_e 5.500000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-PuO2CO3(s)
-PuO2CO3 = +1.000PuO2+2 +1.000CO3-2
- log_k -14.2000
-# -a_e -1.420000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-NaNpO2CO3:3.5H2O(s,fr)
-NaNpO2CO3:3.5H2O = +1.000Na+ +1.000NpO2+ +1.000CO3-2 +3.500H2O
- log_k -11.1600
-# -a_e -1.116000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-NaNpO2CO3(s,ag)
-NaNpO2CO3 = +1.000Na+ +1.000NpO2+ +1.000CO3-2
- log_k -11.6600
-# -a_e -1.166000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-Na3NpO2(CO3)2(s)
-Na3NpO2(CO3)2 = +3.000Na+ +1.000NpO2+ +2.000CO3-2
- log_k -14.7000
-# -a_e -1.470000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-NpO3:H2O(cr)
-NpO3H2O = +1.000NpO2+2 +2.000H2O -2.000H+
- log_k 5.4700
-# -a_e 5.470000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-K4NpO2(CO3)3(s)
-K4NpO2(CO3)3 = +4.000K+ +1.000NpO2+2 +3.000CO3-2
- log_k -26.4000
-# -a_e -2.640000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-(NH4)4NpO2(CO3)3(s)
-(NH4)4NpO2(CO3)3 = +4.000NH4+ +1.000NpO2+2 +3.000CO3-2
- log_k -26.8100
-# -a_e -2.681000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-Chernikovite
-UO2HPO4:4H2O = +1.000UO2+2 +1.000H3PO4 +4.000H2O -2.000H+
- log_k -2.5000
-# -a_e -2.500000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-USiO4(s)
-USiO4 = +1.000U+4 +1.000Si(OH)4 -4.000H+
- log_k -2.988
-# log_k entered manually, -a_e changed accordingly
-# -a_e -2.988000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-Sn(cr)
-Sn = +1.000Sn+2 +2.000e-
- log_k 4.6300
-# delta_h -7.7000
-# -a_e 3.281413E+00 -0.000000E+00 4.022062E+02 -0.000000E+00 0.000000E+00
-
-SnO(s)
-SnO = +1.000Sn+2 +1.000H2O -2.000H+
- log_k 2.5000
-# -a_e 2.500000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-SnS(pr)
-SnS = +1.000Sn+2 +1.000HS- -1.000H+
- log_k -14.7000
-# -a_e -1.470000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-S(rhomb)
-S = +1.000HS- -1.000H+ -2.000e-
- log_k -2.1440
-# delta_h -16.3000
-# -a_e -5.000608E+00 -0.000000E+00 8.514234E+02 -0.000000E+00 0.000000E+00
-
-Cassiterite
-TnO2 = +1.000Tn(OH)4 -2.000H2O
- log_k -8.0000
-# -a_e -8.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-SnO2(am)
-TnO2 = +1.000Tn(OH)4 -2.000H2O
- log_k -7.3000
-# -a_e -7.300000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-CaSn(OH)6(s)
-CaTn(OH)6 = +1.000Tn(OH)4 +2.000H2O +1.000Ca+2 -2.000H+
- log_k 8.7000
-# -a_e 8.700000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-Baddeleyite
-ZrO2 = +1.000Zr+4 +2.000H2O -4.000H+
- log_k -1.9000
-# -a_e -1.900000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-Fe(OH)3(am)
-Fe(OH)3 = +3.000H2O -3.000H+ +1.000Fe+3
- log_k 5.0000
-# -a_e 5.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-Fe(OH)3(mic)
-Fe(OH)3 = +3.000H2O -3.000H+ +1.000Fe+3
- log_k 3.0000
-# -a_e 3.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-Pd(cr)
-Pd = +1.000Pd+2 +2.000e-
- log_k -30.8000
-# delta_h 177.2000
-# -a_e 2.452738E-01 -0.000000E+00 -9.255965E+03 -0.000000E+00 0.000000E+00
-
-Pd(OH)2(s)
-Pd(OH)2 = +1.000Pd+2 -2.000H+ +2.000H2O
- log_k -3.3000
-# -a_e -3.300000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-Magnetite
-Fe3O4 = +1.000Fe+2 +4.000H2O -8.000H+ +2.000Fe+3
- log_k 10.0200
-# -a_e 1.002000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-PuPO4(s,hyd)
-PuPO4 = +1.000Pu+3 +1.000PO4-3
- log_k -24.6000
-# -a_e -2.460000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-Quartz
-SiO2 = +1.000Si(OH)4 -2.000H2O
- log_k -3.7460
-# delta_h 20.6370
-# -a_e -1.325045E+01 -0.000000E+00 -4.939341E+02 4.510415E+00 0.000000E+00
-
-SiO2(am)
-SiO2 = +1.000Si(OH)4 -2.000H2O
- log_k -2.7140
-# delta_h 14.5940
-# -a_e -1.571955E-01 -0.000000E+00 -7.623113E+02 -0.000000E+00 0.000000E+00
-
-Kaolinite
-Al2Si2O5(OH)4 = +2.000Al+3 +2.000Si(OH)4 +1.000H2O -6.000H+
- log_k 7.4350
-# delta_h -147.7000
-# -a_e -1.844139E+01 -0.000000E+00 7.715045E+03 -0.000000E+00 0.000000E+00
-
-Gibbsite
-Al(OH)3 = +1.000Al+3 +3.000H2O -3.000H+
- log_k 7.7561
-# delta_h -102.7840
-# -a_e -1.069028E+01 -0.000000E+00 5.388423E+03 1.509445E-01 0.000000E+00
-
-(UO2)3(PO4)2:4H2O(cr)
-(UO2)3(PO4)2:4H2O = +3.000UO2+2 +2.000H3PO4 +4.000H2O -6.000H+
- log_k -5.9600
-# -a_e -5.960000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-Se(cr)
-Se = +1.000SeO3-2 +6.000H+ +4.000e- -3.000H2O
- log_k -61.2900
-# -a_e -6.129000E+01 -0.000000E+00 -0.000000E+00 -0.000000E+00 -0.000000E+00
-
-
-# PMATCH GASES
-
-CH4(g)
-CH4 = +1.000CH4
- log_k -2.8565
-# delta_h -13.7966
-# -a_e -7.806599E+01 -6.229365E-05 3.957200E+03 2.503828E+01 -0.000000E+00
-
-CO2(g)
-CO2 = +1.000H+ -1.000H2O +1.000HCO3-
- log_k -7.8198
-# delta_h -10.8748
-# -a_e -2.479229E+02 -4.106888E-02 1.491484E+04 8.638236E+01 -1.015550E+06
-
-H2(g)
-H2 = +1.000H2
- log_k -3.1056
-# delta_h -4.0394
-# -a_e -7.645288E+01 -6.533210E-03 3.037284E+03 2.631230E+01 -0.000000E+00
-
-N2(g)
-N2 = +1.000N2
- log_k -3.1864
-# delta_h -10.4374
-# -a_e -6.990691E+01 3.663863E-03 3.662355E+03 2.155827E+01 -0.000000E+00
-
-O2(g)
-O2 = +1.000O2
- log_k -2.8944
-# delta_h -12.0593
-# -a_e -6.096651E+01 4.101330E-03 3.376712E+03 1.839764E+01 -0.000000E+00
-
-H2S(g)
-H2S = +1.000HS- +1.000H+
- log_k -8.0100
-# delta_h 4.3000
-# -a_e -7.256659E+00 -0.000000E+00 -2.246086E+02 -0.000000E+00 0.000000E+00
-
-
-END
diff --git a/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/PSINA_12_07_110615_DAV_s.dat b/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/PSINA_12_07_110615_DAV_s.dat
new file mode 100644
index 0000000000000000000000000000000000000000..af821351ee17516d3a6c567ccc1581420817efdb
--- /dev/null
+++ b/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/PSINA_12_07_110615_DAV_s.dat
@@ -0,0 +1,2753 @@
+# PSI/Nagra Thermochemical Database Version 12/07 LAST MOD. 11-JUN-2015
+# PSINA_110615_DAV_s.dat
+#
+# The documentation for this database is available on http://www.psi.ch/les/database.
+#
+# Change history -----------------------------------------------------------------------------------
+# PSINA_120110_DAV_s.dat
+# 12-JAN-2010 : Added Becquerelite and Compreignacite to PSINA_060110_DAV_s.dat
+# PSINA_050710_DAV_s.dat
+# 05-JULY-2010: Added CmSCN+2 to PSINA_120110_DAV_s.dat
+# 05-JULY-2010: Added NpO2SCN to PSINA_120110_DAV_s.dat
+# PSINA_050710_rev_DAV_s.dat
+# 14-FEB-2011 : Sn: Changed incorrect formula (for conversion from mass to mole units) and
+# incorrect elemental gfw in PSINA_050710_DAV.dat and PSINA_050710_DAV_s.dat
+# 14-FEB-2011 : Added NpSiO(OH)3+2 to PSINA_050710_DAV_s.dat
+# 14-FEB-2011 : Added USiO4(s) to PSINA_050710_DAV_s.dat
+# 20-FEB-2011 : corrected log_k for UO2(am,hyd) (from -1.5 to 1.5) in PSINA_050710_DAV.dat
+# and PSINA_050710_DAV_s.dat
+# PSINA_290714_DAV_s.dat
+# 29-JUL-2014 : Added I(+5) to the SOLUTION_MASTER_SPECIES
+# corrected log_k for I2 (wrong sign)
+# corrected log_k for IO3- (from -122.0400 to -101.0900)
+# changed some comments
+# PSINA_110615_DAV_s.dat
+# 11-JUN-2015: Changed references to PSI reports and added comment concerning documentation,
+# deleted warning concerning use of database at temperatures other than 25ûC
+#---------------------------------------------------------------------------------------------------
+#
+# ACTIVITY COEFFICIENTS:
+#
+# This version of the database uses the Davies equation for the calculation of activity coefficients.
+# -gamma 0.00 0.00 for neutral species ensures that the activity coefficients
+# are equal to one.
+#
+# TEMPERATURE:
+#
+# This version of the database only contains logK-data for 25ûC
+#
+# DOCUMENTATION:
+#
+# NAGRA NTB 91-17: Pearson F.J., Berner U. (1992): Nagra Thermochemical Data Base I. Core Data,
+# Nagra NTB 91-17.
+# available for download at http://www.nagra.ch/de/downloadcenter.htm
+# NAGRA NTB 91-18: Pearson F.J., Berner U., Hummel W. (1992): Nagra Thermochemical Data Base
+# II. Supplemental Data, Nagra NTB 91-18.
+# available for download at http://www.nagra.ch/de/downloadcenter.htm
+# NAGRA NTB 02-16: Hummel W., Berner U., Curti E., Pearson F.J., Thoenen T. (2002): Nagra/PSI
+# Chemical Thermodynamic Database 01/01, Nagra NTB 02-16.
+# available for download at http://www.nagra.ch/de/downloadcenter.htm
+# PSI Report 14-04: Thoenen T., Hummel W., Berner U., Curti E. (2014): The PSI/Nagra Chemical
+# Thermodynamic Database 12/07, PSI Report 14-04.
+# available for download at http://www.psi.ch/les/database
+#
+#---------------------------------------------------------------------------------------------------
+#
+SOLUTION_MASTER_SPECIES
+#
+# ATOMIC WEIGHTS
+# Naturally occurring elements: IUPAC 1993 Table 1 rounded to 0.001
+# Radioelements: Mass number of longest-lived isotope
+#
+#
+#
+# elemen species alk gfw_formula element_gfw atomic Disposition Source of data
+# number PMATCHC
+#
+H H+ -1.0 H 1.008 # 1 Ele NAGRA NTB 91-17
+H(0) H2 0.0 H # Ma(S) NAGRA NTB 91-17
+H(1) H+ -1.0 H # Ma(P) NAGRA NTB 91-17
+E e- 0.0 0.0 0.0 # Ma(P) NAGRA NTB 91-17
+O H2O 0.0 O 15.999 # 8 Ele NAGRA NTB 91-17
+O(0) O2 0.0 O # Ma(S) NAGRA NTB 91-17
+O(-2) H2O 0.0 O # Ma(P) NAGRA NTB 91-17
+Al Al+3 0.0 Al 26.982 # 13 Ele, Ma(P) NAGRA NTB 02-16
+Am Am+3 0.0 Am 243 # 95 Ele, Ma(P) PSI Report 14-04
+Am(3) Am+3 0.0 Am # PSI Report 14-04
+Am(5) AmO2+ 0.0 Am # PSI Report 14-04
+As HAsO4-2 0.0 As 74.922 # 33 Ele NAGRA NTB 91-17
+As(3) As(OH)3 0.0 As # Ma(S) NAGRA NTB 91-17
+As(5) HAsO4-2 1.0 As # Ma(P) NAGRA NTB 91-17
+B B(OH)3 0.0 B 10.812 # 5 Ma(P) NAGRA NTB 91-18
+Ba Ba+2 0.0 Ba 137.328 # 56 Ma(P) NAGRA NTB 91-17
+Br Br- 0.0 Br 79.904 # 35 Ma(P) NAGRA NTB 91-17
+C HCO3- 1.0 C 12.011 # 6 Ele NAGRA NTB 91-17
+C(+4) HCO3- 1.0 HCO3- # Ma(P) NAGRA NTB 91-17
+C(-4) CH4 0.0 CH4 # Ma(S) NAGRA NTB 91-17
+Alkalinity HCO3- 1.0 HCO3- 61.016 # NAGRA NTB 91-17
+Ca Ca+2 0.0 Ca 40.078 # 20 Ma(P) NAGRA NTB 91-17
+Cl Cl- 0.0 Cl 35.453 # 17 Ma(P) NAGRA NTB 91-17
+Cm Cm+3 0.0 Cm 247 # PSI Report 14-04
+Cs Cs+ 0.0 Cs 132.905 # 55 Ma(P) Master Species only
+Eu Eu+3 0.0 Eu 151.966 # 63 Ele NAGRA NTB 02-16
+Eu(2) Eu+2 0.0 Eu # Ma(S) NAGRA NTB 02-16
+Eu(3) Eu+3 0.0 Eu # Ma(P) NAGRA NTB 02-16
+F F- 0.0 F 18.998 # 9 Ma(P) NAGRA NTB 91-17
+Fe Fe+2 0.0 Fe 55.845 # 26 Ele NAGRA NTB 91-18
+Fe(2) Fe+2 0.0 Fe # Ma(P) NAGRA NTB 91-18
+Fe(3) Fe+3 0.0 Fe # Ma(S) NAGRA NTB 91-18
+I I- 0.0 I 126.904 # 53 Ele NAGRA NTB 91-18
+I(-1) I- 0.0 I # Ma(P) NAGRA NTB 91-18
+I(0) I2 0.0 I # Ma(S) NAGRA NTB 91-18
+I(+5) IO3- 0.0 I # PSI Report 14-04
+K K+ 0.0 K 39.098 # 19 Ma(P) NAGRA NTB 91-17
+Li Li+ 0.0 Li 6.941 # 6 Ma(P) NAGRA NTB 91-17
+Mg Mg+2 0.0 Mg 24.305 # 12 Ma(P) NAGRA NTB 91-17
+Mn Mn+2 0.0 Mn 54.938 # 25 Ma(P) NAGRA NTB 91-18
+Mo MoO4-2 0.0 Mo 95.941 # 42 Ma(P) NAGRA NTB 91-18
+N NO3- 0.0 N 14.007 # 7 Ele NAGRA NTB 91-17
+N(-5) HCN 0.0 HCN # PSI Report 14-04
+N(-3) NH4+ 0.0 NH4 # Ma(S) NAGRA NTB 91-17
+N(-1) SCN- 0.0 SCN- # PSI Report 14-04
+N(0) N2 0.0 N2 # Ma(S) NAGRA NTB 91-17
+N(5) NO3- 0.0 NO3 # Ma(P) NAGRA NTB 91-17
+Na Na+ 0.0 Na 22.99 # 11 Ma(P) NAGRA NTB 91-17
+Nb NbO3- 0.0 Nb 92.906 # 41 Ma(P) NAGRA NTB 91-18
+Ni Ni+2 0.0 Ni 58.693 # 28 Ele, Ma(P) PSI Report 14-04
+Np NpO2+2 0.0 Np 237 # 93 Ele PSI Report 14-04
+Np(3) Np+3 0.0 Np # Ma(S) PSI Report 14-04
+Np(4) Np+4 0.0 Np # Ma(S) PSI Report 14-04
+Np(5) NpO2+ 0.0 Np # Ma(S) PSI Report 14-04
+Np(6) NpO2+2 0.0 Np # Ma(P) PSI Report 14-04
+P HPO4-2 1.0 P 30.974 # 15 Ma(P) NAGRA NTB 91-17
+Pd Pd+2 0.0 Pd 106.421 # 46 Ele, Ma(P) NAGRA NTB 02-16
+Pu PuO2+2 0.0 Pu 242 # 94 Ele PSI Report 14-04
+Pu(3) Pu+3 0.0 Pu # Ma(S) PSI Report 14-04
+Pu(4) Pu+4 0.0 Pu # Ma(S) PSI Report 14-04
+Pu(5) PuO2+ 0.0 Pu # Ma(S) PSI Report 14-04
+Pu(6) PuO2+2 0.0 Pu # Ma(P) PSI Report 14-04
+Ra Ra+2 0.0 Ra 226 # 88 Ele, Ma(P) NAGRA NTB 02-16
+S SO4-2 0.0 S 32.067 # 16 Ele NAGRA NTB 91-17
+S(-2) HS- 1.0 HS # Ma(S) NAGRA NTB 02-16
+S(2) S2O3-2 0.0 S2O3 # Ma(S) NAGRA NTB 91-18
+S(4) SO3-2 0.0 SO3 # Ma(S) NAGRA NTB 91-18
+S(6) SO4-2 0.0 SO4 # Ma(P) NAGRA NTB 91-18
+Se SeO3-2 0.0 Se 78.963 # 34 Ele PSI Report 14-04
+Se(4) SeO3-2 0.0 Se # Ma(P) PSI Report 14-04
+Se(-2) H2Se 0.0 Se # Ma(S) PSI Report 14-04
+Se(6) HSeO4- 0.0 Se # Ma(S) PSI Report 14-04
+Si Si(OH)4 0.0 Si 28.086 # 14 Ele, Ma(P) PSI Report 14-04
+Tn Tn+2 0.0 Tn 118.711 # 50 Ele, Ma(P) NAGRA NTB 02-16
+Sn Sn(OH)4 0.0 Sn 118.711 # Ma(P) NAGRA NTB 02-16
+Sr Sr+2 0.0 Sr 87.621 # 38 Ma(P) NAGRA NTB 91-17
+Tc TcO4- 0.0 Tc 98 # 43 Ele PSI Report 14-04
+Tc(7) TcO4- 0.0 TcO4 # Ma(P) PSI Report 14-04
+Tc(4) TcO(OH)2 -1.0 TcO(OH)2 # Ma(S) PSI Report 14-04
+Th Th+4 0.0 Th 232.038 # 90 Ele, Ma(P) PSI Report 14-04
+U UO2+2 0.0 U 238.029 # 92 Ele PSI Report 14-04
+U(4) U+4 0.0 U # Ma(S) PSI Report 14-04
+U(5) UO2+ 0.0 U # Ma(S) PSI Report 14-04
+U(6) UO2+2 0.0 UO2 # Ma(P) PSI Report 14-04
+Zr Zr+4 0.0 Zr 91.224 # 40 Ele, Ma(P) PSI Report 14-04
+
+
+SOLUTION_SPECIES
+
+# PMATCH MASTER SPECIES
+
+H+ = H+
+ log_k 0.0
+
+e- = e-
+ log_k 0.0
+ -gamma 0.00 0.00
+
+H2O = H2O
+ log_k 0.0
+ -gamma 0.00 0.00
+
+Al+3 = Al+3
+ log_k 0.0
+
+Am+3 = Am+3
+ log_k 0.0
+
+HAsO4-2 = HAsO4-2
+ log_k 0.0
+
+B(OH)3 = B(OH)3
+ log_k 0.0
+ -gamma 0.00 0.00
+
+Ba+2 = Ba+2
+ log_k 0.0
+
+Br- = Br-
+ log_k 0.0
+
+HCO3- = HCO3-
+ log_k 0.0
+
+Ca+2 = Ca+2
+ log_k 0.0
+
+Cl- = Cl-
+ log_k 0.0
+
+Cm+3 = Cm+3
+ log_k 0.0
+
+Cs+ = Cs+
+ log_k 0.0
+
+Eu+3 = Eu+3
+ log_k 0.0
+
+F- = F-
+ log_k 0.0
+
+Fe+2 = Fe+2
+ log_k 0.0
+
+I- = I-
+ log_k 0.0
+
+K+ = K+
+ log_k 0.0
+
+Li+ = Li+
+ log_k 0.0
+
+Mg+2 = Mg+2
+ log_k 0.0
+
+Mn+2 = Mn+2
+ log_k 0.0
+
+MoO4-2 = MoO4-2
+ log_k 0.0
+
+NO3- = NO3-
+ log_k 0.0
+
+Na+ = Na+
+ log_k 0.0
+
+NbO3- = NbO3-
+ log_k 0.0
+
+Ni+2 = Ni+2
+ log_k 0.0
+
+NpO2+2 = NpO2+2
+ log_k 0.0
+
+HPO4-2 = HPO4-2
+ log_k 0.0
+
+Pd+2 = Pd+2
+ log_k 0.0
+
+PuO2+2 = PuO2+2
+ log_k 0.0
+
+Ra+2 = Ra+2
+ log_k 0.0
+
+SO4-2 = SO4-2
+ log_k 0.0
+
+SeO3-2 = SeO3-2
+ log_k 0.0
+
+Si(OH)4 = Si(OH)4
+ log_k 0.0
+ -gamma 0.00 0.00
+
+Tn+2 = Tn+2
+ log_k 0.0
+
+Sn(OH)4 = Sn(OH)4
+ log_k 0.0
+ -gamma 0.00 0.00
+
+Sr+2 = Sr+2
+ log_k 0.0
+
+TcO4- = TcO4-
+ log_k 0.0
+
+Th+4 = Th+4
+ log_k 0.0
+
+UO2+2 = UO2+2
+ log_k 0.0
+
+Zr+4 = Zr+4
+ log_k 0.0
+
+
+# PMATCH SECONDARY MASTER SPECIES
+
+# Se Redox
+##############
+
+ +1.000SeO3-2 +1.000H2O -1.000H+ -2.000e- = HSeO4-
+ log_k -26.3000
+
+ +1.000SeO3-2 +8.000H+ +6.000e- -3.000H2O = H2Se
+ log_k 57.4000
+ -gamma 0.00 0.00
+
+ +1.000HCN +1.000SeO3-2 +5.000H+ +4.000e- -3.000H2O = SeCN-
+ log_k 57.3000
+
+# Tc Redox
+##############
+
+ +1.000TcO4- +4.000H+ +3.000e- -1.000H2O = TcO(OH)2
+ log_k 29.4000
+ -gamma 0.00 0.00
+
+# Eu Redox
+##############
+
+ +1.000Eu+3 +1.000e- = Eu+2
+ log_k -5.9200
+
+# U Redox
+##############
+
+ +1.000UO2+2 +4.000H+ +2.000e- -2.000H2O = U+4
+ log_k 9.0380
+
+ +1.000UO2+2 +1.000e- = UO2+
+ log_k 1.4840
+
+# Np Redox
+##############
+
+ +1.000NpO2+2 +4.000H+ +3.000e- -2.000H2O = Np+3
+ log_k 33.5000
+
+ +1.000NpO2+2 +4.000H+ +2.000e- -2.000H2O = Np+4
+ log_k 29.8000
+
+ +1.000NpO2+2 +1.000e- = NpO2+
+ log_k 19.5900
+
+# Pu Redox
+##############
+
+ +1.000PuO2+2 +4.000H+ +3.000e- -2.000H2O = Pu+3
+ log_k 50.9700
+
+ +1.000PuO2+2 +4.000H+ +2.000e- -2.000H2O = Pu+4
+ log_k 33.2800
+
+ +1.000PuO2+2 +1.000e- = PuO2+
+ log_k 15.8200
+
+# Am Redox
+##############
+
+ +1.000Am+3 +2.000H2O -4.000H+ -2.000e- = AmO2+
+ log_k -59.7000
+
+# Rest Redox
+##############
+
+ +2.000H+ +2.000e- = H2
+ log_k -3.1054
+ -gamma 0.00 0.00
+
+ +2.000H2O -4.000H+ -4.000e- = O2
+ log_k -85.9841
+ -gamma 0.00 0.00
+
+ +1.000HAsO4-2 +4.000H+ +2.000e- -1.000H2O = As(OH)3
+ log_k 28.4412
+ -gamma 0.00 0.00
+
+ +1.000HCO3- +9.000H+ +8.000e- -3.000H2O = CH4
+ log_k 27.8486
+ -gamma 0.00 0.00
+
+ +2.000NO3- +12.000H+ +10.000e- -6.000H2O = N2
+ log_k 207.2627
+ -gamma 0.00 0.00
+
+ +1.000NO3- +10.000H+ +8.000e- -3.000H2O = NH4+
+ log_k 119.1344
+
+ +2.000SO4-2 +10.000H+ +8.000e- -5.000H2O = S2O3-2
+ log_k 38.0140
+# bug: log_k entered manually
+
+ +1.000SO4-2 +2.000H+ +2.000e- -1.000H2O = SO3-2
+ log_k -3.3970
+# bug: log_k entered manually
+
+ +1.000SO4-2 +9.000H+ +8.000e- -4.000H2O = HS-
+ log_k 33.6900
+
+ +1.000Fe+2 -1.000e- = Fe+3
+ log_k -13.0200
+
+ +2.000I- -2.000e- = I2
+ log_k -20.9500
+ -gamma 0.00 0.00
+
+ +0.500I2 +3.000H2O -6.000H+ -5.000e- = IO3-
+ log_k -101.0900
+
++13.000H+ +1.000CO3-2 +1.000NO3- +10.000e- -6.000H2O = HCN
+ log_k 117.3360
+ -gamma 0.00 0.00
+
+ +1.000HCN +1.000HS- -2.000e- -2.000H+ = SCN-
+ log_k 5.9410
+
+# Convenience
+#############
+
+ +1.000H2O -1.000H+ = OH-
+ log_k -13.9995
+
+ +1.000H+ -1.000H2O +1.000HCO3- = CO2
+ log_k 6.3519
+ -gamma 0.00 0.00
+
+ -1.000H+ +1.000HCO3- = CO3-2
+ log_k -10.3289
+
+ +1.000HPO4-2 +2.000H+ = H3PO4
+ log_k 9.3520
+ -gamma 0.00 0.00
+
+ +1.000HPO4-2 +1.000H+ = H2PO4-
+ log_k 7.2120
+
+ +1.000HPO4-2 -1.000H+ = PO4-3
+ log_k -12.3500
+
+ +1.000Si(OH)4 -1.000H+ = SiO(OH)3-
+ log_k -9.8100
+
+ +1.000Si(OH)4 -2.000H+ = SiO2(OH)2-2
+ log_k -23.1400
+
+ +1.000Al+3 +4.000H2O -4.000H+ = Al(OH)4-
+ log_k -22.8791
+
+ +1.000NH4+ -1.000H+ = NH3
+ log_k -9.2370
+ -gamma 0.00 0.00
+
+ +1.000HCN -1.000H+ = CN-
+ log_k -9.2100
+
+ +1.000HAsO4-2 -1.000H+ = AsO4-3
+ log_k -11.6030
+
+ +1.000HAsO4-2 +2.000H+ = H3AsO4
+ log_k 9.0270
+ -gamma 0.00 0.00
+# bug: log_k entered manually
+
+# Se(VI) RECOMMENDED DATA Convenience
+########################################
+
+ +1.000HSeO4- -1.000H+ = SeO4-2
+ log_k -1.7500
+
+# Se(IV) RECOMMENDED DATA Convenience
+########################################
+
+ +1.000SeO3-2 +1.000H+ = HSeO3-
+ log_k 8.3600
+
+# Se(-II) RECOMMENDED DATA Convenience
+########################################
+
+ +1.000H2Se -1.000H+ = HSe-
+ log_k -3.8500
+
+ +1.000HSe- -1.000H+ = Se-2
+ log_k -14.9100
+
+# PMATCH PRODUCT SPECIES
+
+# General RECOMMENDED DATA
+############################
+
+ +1.000I- +1.000I2 = I3-
+ log_k 2.8700
+
+ +1.000H+ +1.000IO3- = HIO3
+ log_k 0.7880
+ -gamma 0.00 0.00
+
+ +1.000Al+3 +1.000F- = AlF+2
+ log_k 7.0800
+
+ +1.000Al+3 +2.000F- = AlF2+
+ log_k 12.7300
+
+ +1.000Al+3 +3.000F- = AlF3
+ log_k 16.7800
+ -gamma 0.00 0.00
+
+ +1.000Al+3 +4.000F- = AlF4-
+ log_k 19.2900
+
+ +1.000Al+3 +5.000F- = AlF5-2
+ log_k 20.3000
+
+ +1.000Al+3 +6.000F- = AlF6-3
+ log_k 20.3000
+
+ +1.000Al+3 +1.000H2O -1.000H+ = AlOH+2
+ log_k -4.9572
+
+ +1.000Al+3 +2.000H2O -2.000H+ = Al(OH)2+
+ log_k -10.5940
+
+ +1.000Al+3 +3.000H2O -3.000H+ = Al(OH)3
+ log_k -16.4324
+ -gamma 0.00 0.00
+
+ +1.000Al+3 +1.000SO4-2 = AlSO4+
+ log_k 3.9000
+
+ +1.000Al+3 +2.000SO4-2 = Al(SO4)2-
+ log_k 5.9000
+
+ +1.000As(OH)3 +1.000H2O -1.000H+ = As(OH)4-
+ log_k -9.2320
+# bug: log_k entered manually
+
+ +1.000B(OH)3 +1.000H2O -1.000H+ = B(OH)4-
+ log_k -9.2352
+
+ +1.000Ba+2 -1.000H+ +1.000HCO3- = BaCO3
+ log_k -7.6157
+ -gamma 0.00 0.00
+
+ +1.000Ba+2 +1.000HCO3- = BaHCO3+
+ log_k 0.9816
+
+ +1.000Ba+2 +1.000H2O -1.000H+ = BaOH+
+ log_k -13.4700
+
+ +1.000Ba+2 +1.000SO4-2 = BaSO4
+ log_k 2.7000
+ -gamma 0.00 0.00
+
+ +1.000Ca+2 -1.000H+ +1.000HCO3- = CaCO3
+ log_k -7.1047
+ -gamma 0.00 0.00
+
+ +1.000Ca+2 +1.000F- = CaF+
+ log_k 0.9400
+
+ +1.000Ca+2 +1.000HCO3- = CaHCO3+
+ log_k 1.1057
+
+ +1.000Ca+2 +1.000H2O -1.000H+ = CaOH+
+ log_k -12.7800
+
+ +1.000Ca+2 +1.000SO4-2 = CaSO4
+ log_k 2.3000
+ -gamma 0.00 0.00
+
+ +2.000H2O -2.000H+ +1.000Fe+3 = Fe(OH)2+
+ log_k -5.6700
+
+ +3.000H2O -3.000H+ +1.000Fe+3 = Fe(OH)3
+ log_k -12.5600
+ -gamma 0.00 0.00
+
+ +4.000H2O -4.000H+ +1.000Fe+3 = Fe(OH)4-
+ log_k -21.6000
+
+ +2.000SO4-2 +1.000Fe+3 = Fe(SO4)2-
+ log_k 5.3800
+
+ +2.000H2O -2.000H+ +2.000Fe+3 = Fe2(OH)2+4
+ log_k -2.9500
+
+ +4.000H2O -4.000H+ +3.000Fe+3 = Fe3(OH)4+5
+ log_k -6.3000
+
+ +1.000Fe+2 +1.000Cl- = FeCl+
+ log_k 0.1400
+
+ +1.000Cl- +1.000Fe+3 = FeCl+2
+ log_k 1.4800
+
+ +2.000Cl- +1.000Fe+3 = FeCl2+
+ log_k 2.1300
+
+ +3.000Cl- +1.000Fe+3 = FeCl3
+ log_k 1.1300
+ -gamma 0.00 0.00
+
+ +1.000Fe+2 +1.000HCO3- -1.000H+ = FeCO3
+ log_k -5.9490
+ -gamma 0.00 0.00
+
+ +1.000Fe+2 +1.000F- = FeF+
+ log_k 1.0000
+
+ +1.000F- +1.000Fe+3 = FeF+2
+ log_k 6.2000
+
+ +2.000F- +1.000Fe+3 = FeF2+
+ log_k 10.8000
+
+ +3.000F- +1.000Fe+3 = FeF3
+ log_k 14.0000
+ -gamma 0.00 0.00
+
+ +1.000Fe+2 +1.000HCO3- = FeHCO3+
+ log_k 2.0000
+
+ +1.000Fe+2 +1.000H+ +1.000SO4-2 = FeHSO4+
+ log_k 3.0680
+
+ +1.000H+ +1.000SO4-2 +1.000Fe+3 = FeHSO4+2
+ log_k 4.4680
+
+ +1.000Fe+2 +1.000H2O -1.000H+ = FeOH+
+ log_k -9.5000
+
+ +1.000H2O -1.000H+ +1.000Fe+3 = FeOH+2
+ log_k -2.1900
+
+ +1.000SO4-2 +1.000Fe+3 = FeSO4+
+ log_k 4.0400
+
+ +1.000Fe+2 +1.000SO4-2 = FeSO4
+ log_k 2.2500
+ -gamma 0.00 0.00
+
+ +1.000HAsO4-2 +1.000H+ = H2AsO4-
+ log_k 6.7640
+# bug: log_k entered manually
+
+ +1.000H+ +1.000F- = HF
+ log_k 3.1760
+ -gamma 0.00 0.00
+
+ +1.000H+ +2.000F- = HF2-
+ log_k 3.6200
+
+ +1.000H+ +1.000SO3-2 = HSO3-
+ log_k 7.2200
+# bug: log_k entered manually
+
+ +1.000H+ +1.000SO4-2 = HSO4-
+ log_k 1.9878
+
+ +1.000K+ +1.000H2O -1.000H+ = KOH
+ log_k -14.4600
+ -gamma 0.00 0.00
+
+ +1.000K+ +1.000SO4-2 = KSO4-
+ log_k 0.8500
+
+ +1.000Li+ +1.000H2O -1.000H+ = LiOH
+ log_k -13.6400
+ -gamma 0.00 0.00
+
+ +1.000Li+ +1.000SO4-2 = LiSO4-
+ log_k 0.6400
+
+ +1.000HS- -1.000H+ = S-2
+ log_k -19.0000
+
+ +1.000HS- +1.000H+ = H2S
+ log_k 6.9900
+ -gamma 0.00 0.00
+
+ +1.000Mg+2 -1.000H+ +1.000HCO3- = MgCO3
+ log_k -7.3492
+ -gamma 0.00 0.00
+
+ +1.000Mg+2 +1.000F- = MgF+
+ log_k 1.8200
+
+ +1.000Mg+2 +1.000HCO3- = MgHCO3+
+ log_k 1.0682
+
+ +1.000Mg+2 +1.000H2O -1.000H+ = MgOH+
+ log_k -11.4400
+
+ +1.000Mg+2 +1.000SO4-2 = MgSO4
+ log_k 2.3700
+ -gamma 0.00 0.00
+
+ +1.000Mn+2 +1.000Cl- = MnCl+
+ log_k 0.6100
+
+ +1.000Mn+2 +2.000Cl- = MnCl2
+ log_k 0.2500
+ -gamma 0.00 0.00
+
+ +1.000Mn+2 +3.000Cl- = MnCl3-
+ log_k -0.3100
+
+ +1.000Mn+2 +1.000HCO3- -1.000H+ = MnCO3
+ log_k -5.4290
+ -gamma 0.00 0.00
+
+ +1.000Mn+2 +1.000F- = MnF+
+ log_k 0.8400
+
+ +1.000Mn+2 +1.000HCO3- = MnHCO3+
+ log_k 1.9500
+
+ +1.000Mn+2 +1.000H2O -1.000H+ = MnOH+
+ log_k -10.5900
+
+ +1.000Mn+2 +1.000SO4-2 = MnSO4
+ log_k 2.2500
+ -gamma 0.00 0.00
+
+ +1.000Na+ -1.000H+ +1.000HCO3- = NaCO3-
+ log_k -9.0590
+
+ +1.000Na+ +1.000F- = NaF
+ log_k -0.2400
+ -gamma 0.00 0.00
+
+ +1.000Na+ +1.000HCO3- = NaHCO3
+ log_k -0.2500
+ -gamma 0.00 0.00
+
+ +1.000Na+ +1.000H2O -1.000H+ = NaOH
+ log_k -14.1800
+ -gamma 0.00 0.00
+
+ +1.000Na+ +1.000SO4-2 = NaSO4-
+ log_k 0.7000
+
+ +1.000NbO3- +2.000H+ +1.000H2O = Nb(OH)4+
+ log_k 6.8955
+
+ +1.000NbO3- +1.000H+ +2.000H2O = Nb(OH)5
+ log_k 7.3440
+ -gamma 0.00 0.00
+
+ +1.000Sr+2 -1.000H+ +1.000HCO3- = SrCO3
+ log_k -7.5238
+ -gamma 0.00 0.00
+
+ +1.000Sr+2 +1.000HCO3- = SrHCO3+
+ log_k 1.1846
+
+ +1.000Sr+2 +1.000H2O -1.000H+ = SrOH+
+ log_k -13.2900
+
+ +1.000Sr+2 +1.000SO4-2 = SrSO4
+ log_k 2.2900
+ -gamma 0.00 0.00
+
+# Si(IV) RECOMMENDED DATA
+############################
+
+ +1.000Ca+2 +1.000SiO(OH)3- = CaSiO(OH)3+
+ log_k 1.2000
+
+ +1.000Ca+2 +1.000SiO2(OH)2-2 = CaSiO2(OH)2
+ log_k 4.6000
+ -gamma 0.00 0.00
+
+ +1.000Mg+2 +1.000SiO(OH)3- = MgSiO(OH)3+
+ log_k 1.5000
+
+ +1.000Mg+2 +1.000SiO2(OH)2-2 = MgSiO2(OH)2
+ log_k 5.7000
+ -gamma 0.00 0.00
+
+ +1.000Al+3 +1.000SiO(OH)3- = AlSiO(OH)3+2
+ log_k 7.4000
+
+ +1.000Fe+3 +1.000SiO(OH)3- = FeSiO(OH)3+2
+ log_k 9.7000
+
+ +4.000Si(OH)4 -4.000H+ -4.000H2O = Si4O8(OH)4-4
+ log_k -36.3000
+
+# Si(IV) SUPPLEMENTAL DATA
+# ==========================
+
+ +1.000Al(OH)4- +1.000SiO2(OH)2-2 -1.000H2O = AlSiO3(OH)4-3
+ log_k 0.5300
+
+# Ni(II) RECOMMENDED DATA
+############################
+
+ +1.000Ni+2 +1.000H2O -1.000H+ = NiOH+
+ log_k -9.5400
+
+ +1.000Ni+2 +3.000H2O -3.000H+ = Ni(OH)3-
+ log_k -29.2000
+
+ +2.000Ni+2 +1.000H2O -1.000H+ = Ni2OH+3
+ log_k -10.6000
+
+ +4.000Ni+2 +4.000H2O -4.000H+ = Ni4(OH)4+4
+ log_k -27.5200
+
+ +1.000Ni+2 +1.000F- = NiF+
+ log_k 1.4300
+
+ +1.000Ni+2 +1.000Cl- = NiCl+
+ log_k 0.0800
+
+ +1.000Ni+2 +1.000SO4-2 = NiSO4
+ log_k 2.3500
+ -gamma 0.00 0.00
+
+ +1.000Ni+2 +1.000NO3- = NiNO3+
+ log_k 0.5000
+
+ +1.000Ni+2 +1.000HPO4-2 = NiHPO4
+ log_k 3.0500
+ -gamma 0.00 0.00
+
+ +1.000Ni+2 +1.000CO3-2 = NiCO3
+ log_k 4.2000
+ -gamma 0.00 0.00
+
+ +1.000Ni+2 +1.000HS- = NiHS+
+ log_k 5.5000
+
+ +1.000Ni+2 +2.000HS- = Ni(HS)2
+ log_k 11.1000
+ -gamma 0.00 0.00
+
+ +1.000Ni+2 +1.000HAsO4-2 = NiHAsO4
+ log_k 2.9000
+ -gamma 0.00 0.00
+
+ +1.000Ni+2 +4.000CN- = Ni(CN)4-2
+ log_k 30.2000
+
+ +1.000Ni+2 +5.000CN- = Ni(CN)5-3
+ log_k 28.5000
+
+ +1.000Ni+2 +1.000SCN- = NiSCN+
+ log_k 1.8100
+
+ +1.000Ni+2 +2.000SCN- = Ni(SCN)2
+ log_k 2.6900
+ -gamma 0.00 0.00
+
+ +1.000Ni+2 +3.000SCN- = Ni(SCN)3-
+ log_k 3.0200
+
+# Ni(II) SUPPLEMENTAL DATA
+# ==========================
+
+ +1.000Ni+2 +2.000H2O -2.000H+ = Ni(OH)2
+ log_k -18.0000
+ -gamma 0.00 0.00
+
+ +1.000Ni+2 +1.000NH3 = NiNH3+2
+ log_k 2.7000
+
+ +1.000Ni+2 +2.000NH3 = Ni(NH3)2+2
+ log_k 4.9000
+
+ +1.000Ni+2 +3.000NH3 = Ni(NH3)3+2
+ log_k 6.5000
+
+ +1.000Ni+2 +4.000NH3 = Ni(NH3)4+2
+ log_k 7.6000
+
+ +1.000Ni+2 +5.000NH3 = Ni(NH3)5+2
+ log_k 8.3000
+
+ +1.000Ni+2 +6.000NH3 = Ni(NH3)6+2
+ log_k 8.2000
+
+ +1.000Ni+2 +2.000CO3-2 = Ni(CO3)2-2
+ log_k 6.0000
+
+ +1.000Ni+2 +1.000HCO3- = NiHCO3+
+ log_k 1.0000
+
+ +1.000Ni+2 +1.000SiO(OH)3- = NiSiO(OH)3+
+ log_k 6.3000
+
+# Se(0|-II) RECOMMENDED DATA
+############################
+
+ +2.000Se-2 -2.000e- = Se2-2
+ log_k 25.3200
+
+ +3.000Se-2 -4.000e- = Se3-2
+ log_k 49.9700
+
+ +4.000Se-2 -6.000e- = Se4-2
+ log_k 73.0200
+
+# Se(0) RECOMMENDED DATA
+############################
+
+ +1.000Ni+2 +1.000SeCN- = NiSeCN+
+ log_k 1.7700
+
+ +1.000Ni+2 +2.000SeCN- = Ni(SeCN)2
+ log_k 2.2400
+ -gamma 0.00 0.00
+
+# Se(IV) RECOMMENDED DATA
+############################
+
+ +1.000HSeO3- +1.000H+ = H2SeO3
+ log_k 2.6400
+ -gamma 0.00 0.00
+
+ +1.000Fe+3 +1.000SeO3-2 = FeSeO3+
+ log_k 11.1500
+
+# Se(VI) RECOMMENDED DATA
+############################
+
+ +1.000Ni+2 +1.000SeO4-2 = NiSeO4
+ log_k 2.6700
+ -gamma 0.00 0.00
+
+ +1.000Mn+2 +1.000SeO4-2 = MnSeO4
+ log_k 2.4300
+ -gamma 0.00 0.00
+
+ +1.000UO2+2 +1.000SeO4-2 = UO2SeO4
+ log_k 2.7400
+ -gamma 0.00 0.00
+
+ +1.000Ca+2 +1.000SeO4-2 = CaSeO4
+ log_k 2.0000
+ -gamma 0.00 0.00
+
+# Se(VI) SUPPLEMENTAL DATA
+# ==========================
+
+ +1.000UO2+2 +2.000SeO4-2 = UO2(SeO4)2-2
+ log_k 3.1000
+
+ +1.000Mg+2 +1.000SeO4-2 = MgSeO4
+ log_k 2.2000
+ -gamma 0.00 0.00
+
+# Zr(IV) RECOMMENDED DATA
+############################
+
+ +1.000Zr+4 +1.000H2O -1.000H+ = ZrOH+3
+ log_k 0.3200
+
+ +1.000Zr+4 +4.000H2O -4.000H+ = Zr(OH)4
+ log_k -2.1900
+ -gamma 0.00 0.00
+
+ +1.000Zr+4 +2.000F- = ZrF2+2
+ log_k 18.5500
+
+ +1.000Zr+4 +3.000F- = ZrF3+
+ log_k 24.7200
+
+ +1.000Zr+4 +4.000F- = ZrF4
+ log_k 30.1100
+ -gamma 0.00 0.00
+
+ +1.000Zr+4 +1.000SO4-2 = ZrSO4+2
+ log_k 7.0400
+
+ +1.000Zr+4 +6.000F- = ZrF6-2
+ log_k 38.1100
+
+ +1.000Zr+4 +1.000F- = ZrF+3
+ log_k 10.1200
+
+ +1.000Zr+4 +5.000F- = ZrF5-
+ log_k 34.6000
+
+ +1.000Zr+4 +1.000Cl- = ZrCl+3
+ log_k 1.5900
+
+ +1.000Zr+4 +2.000Cl- = ZrCl2+2
+ log_k 2.1700
+
+ +1.000Zr+4 +2.000SO4-2 = Zr(SO4)2
+ log_k 11.5400
+ -gamma 0.00 0.00
+
+ +1.000Zr+4 +3.000SO4-2 = Zr(SO4)3-2
+ log_k 14.3000
+
+ +1.000Zr+4 +1.000NO3- = ZrNO3+3
+ log_k 1.5900
+
+ +1.000Zr+4 +2.000NO3- = Zr(NO3)2+2
+ log_k 2.6400
+
+ +1.000Zr+4 +4.000CO3-2 = Zr(CO3)4-4
+ log_k 42.9000
+
+ +1.000Zr+4 +2.000H2O -2.000H+ = Zr(OH)2+2
+ log_k 0.9800
+
+ +1.000Zr+4 +6.000H2O -6.000H+ = Zr(OH)6-2
+ log_k -29.0000
+
+ +3.000Zr+4 +4.000H2O -4.000H+ = Zr3(OH)4+8
+ log_k 0.4000
+
+ +3.000Zr+4 +9.000H2O -9.000H+ = Zr3(OH)9+3
+ log_k 12.1900
+
+ +4.000Zr+4 +15.000H2O -15.000H+ = Zr4(OH)15+
+ log_k 12.5800
+
+ +4.000Zr+4 +16.000H2O -16.000H+ = Zr4(OH)16
+ log_k 8.3900
+ -gamma 0.00 0.00
+
+ +4.000Zr+4 +8.000H2O -8.000H+ = Zr4(OH)8+8
+ log_k 6.5200
+
+ +2.000Ca+2 +1.000Zr+4 +6.000H2O -6.000H+ = Ca2Zr(OH)6+2
+ log_k -22.6000
+
+ +3.000Ca+2 +1.000Zr+4 +6.000H2O -6.000H+ = Ca3Zr(OH)6+4
+ log_k -23.2000
+
+# Zr(IV) SUPPLEMENTAL DATA
+# ==========================
+
+ +1.000Ca+2 +1.000Zr+4 +6.000H2O -6.000H+ = CaZr(OH)6
+ log_k -24.6000
+ -gamma 0.00 0.00
+
+# Tc(IV) RECOMMENDED DATA
+############################
+
+ +1.000TcO(OH)2 +2.000H+ -2.000H2O = TcO+2
+ log_k 4.0000
+
+ +1.000TcO(OH)2 +1.000H+ -1.000H2O = TcO(OH)+
+ log_k 2.5000
+
+ +1.000TcO(OH)2 +1.000H2O -1.000H+ = TcO(OH)3-
+ log_k -10.9000
+
+ +1.000TcO(OH)2 +1.000CO3-2 +2.000H+ -1.000H2O = TcCO3(OH)2
+ log_k 19.3000
+ -gamma 0.00 0.00
+
+ +1.000TcO(OH)2 +1.000H+ +1.000CO3-2 = TcCO3(OH)3-
+ log_k 11.0000
+
+# Pd(II) RECOMMENDED DATA
+############################
+
+ +1.000Pd+2 +1.000Cl- = PdCl+
+ log_k 5.1000
+
+ +1.000Pd+2 +2.000Cl- = PdCl2
+ log_k 8.3000
+ -gamma 0.00 0.00
+
+ +1.000Pd+2 +3.000Cl- = PdCl3-
+ log_k 10.9000
+
+ +1.000Pd+2 +4.000Cl- = PdCl4-2
+ log_k 11.7000
+
+ +1.000Pd+2 +1.000NH3 = PdNH3+2
+ log_k 9.6000
+
+ +1.000Pd+2 +2.000NH3 = Pd(NH3)2+2
+ log_k 18.5000
+
+ +1.000Pd+2 +3.000NH3 = Pd(NH3)3+2
+ log_k 26.0000
+
+ +1.000Pd+2 +4.000NH3 = Pd(NH3)4+2
+ log_k 32.8000
+
+ +1.000Pd+2 -2.000H+ +2.000H2O = Pd(OH)2
+ log_k -4.0000
+ -gamma 0.00 0.00
+
+ +1.000Pd+2 -3.000H+ +3.000H2O = Pd(OH)3-
+ log_k -15.5000
+
+ +1.000Pd+2 +3.000Cl- +1.000H2O -1.000H+ = PdCl3OH-2
+ log_k 2.5000
+
+ +1.000Pd+2 +2.000Cl- +2.000H2O -2.000H+ = PdCl2(OH)2-2
+ log_k -7.0000
+
+# Tn(II) RECOMMENDED DATA
+############################
+
+ +1.000Tn+2 +1.000H2O -1.000H+ = TnOH+
+ log_k -3.8000
+
+ +1.000Tn+2 +3.000H2O -3.000H+ = Tn(OH)3-
+ log_k -17.5000
+
+ +3.000Tn+2 +4.000H2O -4.000H+ = Tn3(OH)4+2
+ log_k -5.6000
+
+ +1.000Tn+2 +1.000Cl- = TnCl+
+ log_k 1.7000
+
+ +1.000Tn+2 +3.000Cl- = TnCl3-
+ log_k 2.1000
+
+ +1.000Tn+2 +1.000F- = TnF+
+ log_k 5.0000
+
+ +1.000Tn+2 +2.000H2O -2.000H+ = Tn(OH)2
+ log_k -7.7000
+ -gamma 0.00 0.00
+
+ +1.000Tn+2 +1.000SO4-2 = TnSO4
+ log_k 2.6000
+ -gamma 0.00 0.00
+
+ +1.000Tn+2 +1.000H2O +1.000Cl- -1.000H+ = TnOHCl
+ log_k -3.1000
+ -gamma 0.00 0.00
+
+ +1.000Tn+2 +2.000Cl- = TnCl2
+ log_k 2.3600
+ -gamma 0.00 0.00
+
+# Sn(IV) RECOMMENDED DATA
+############################
+
+ +1.000Sn(OH)4 +1.000H2O -1.000H+ = Sn(OH)5-
+ log_k -8.0000
+
+ +1.000Sn(OH)4 +2.000H2O -2.000H+ = Sn(OH)6-2
+ log_k -18.4000
+
+# Ra(II) RECOMMENDED DATA
+############################
+
+ +1.000Ra+2 +1.000OH- = RaOH+
+ log_k 0.5000
+
+ +1.000Ra+2 +1.000Cl- = RaCl+
+ log_k -0.1000
+
+ +1.000Ra+2 +1.000CO3-2 = RaCO3
+ log_k 2.5000
+ -gamma 0.00 0.00
+
+ +1.000Ra+2 +1.000SO4-2 = RaSO4
+ log_k 2.7500
+ -gamma 0.00 0.00
+
+# Eu(III) RECOMMENDED DATA
+############################
+
+ +1.000Eu+3 +1.000H2O -1.000H+ = EuOH+2
+ log_k -7.6400
+
+ +1.000Eu+3 +2.000H2O -2.000H+ = Eu(OH)2+
+ log_k -15.1000
+
+ +1.000Eu+3 +3.000H2O -3.000H+ = Eu(OH)3
+ log_k -23.7000
+ -gamma 0.00 0.00
+
+ +1.000Eu+3 +4.000H2O -4.000H+ = Eu(OH)4-
+ log_k -36.2000
+
+ +1.000Eu+3 +1.000CO3-2 = EuCO3+
+ log_k 8.1000
+
+ +1.000Eu+3 +2.000CO3-2 = Eu(CO3)2-
+ log_k 12.1000
+
+ +1.000Eu+3 +1.000SO4-2 = EuSO4+
+ log_k 3.9500
+
+ +1.000Eu+3 +2.000SO4-2 = Eu(SO4)2-
+ log_k 5.7000
+
+ +1.000Eu+3 +1.000F- = EuF+2
+ log_k 3.8000
+
+ +1.000Eu+3 +2.000F- = EuF2+
+ log_k 6.5000
+
+ +1.000Eu+3 +1.000Cl- = EuCl+2
+ log_k 1.1000
+
+ +1.000Eu+3 +2.000Cl- = EuCl2+
+ log_k 1.5000
+
+ +1.000Eu+3 +1.000SiO(OH)3- = EuSiO(OH)3+2
+ log_k 8.1000
+
+# Th(IV) RECOMMENDED DATA
+############################
+
+ +1.000Th+4 +1.000H2O -1.000H+ = ThOH+3
+ log_k -2.5000
+
+ +1.000Th+4 +4.000H2O -4.000H+ = Th(OH)4
+ log_k -17.4000
+ -gamma 0.00 0.00
+
+ +1.000Th+4 +1.000F- = ThF+3
+ log_k 8.8700
+
+ +1.000Th+4 +2.000F- = ThF2+2
+ log_k 15.6300
+
+ +1.000Th+4 +3.000F- = ThF3+
+ log_k 20.6700
+
+ +1.000Th+4 +4.000F- = ThF4
+ log_k 25.5800
+ -gamma 0.00 0.00
+
+ +1.000Th+4 +5.000CO3-2 = Th(CO3)5-6
+ log_k 31.0000
+
+ +1.000Th+4 +2.000SO4-2 = Th(SO4)2
+ log_k 9.6900
+ -gamma 0.00 0.00
+
+ +1.000Th+4 +3.000SO4-2 = Th(SO4)3-2
+ log_k 10.7480
+
+ +1.000Th+4 +2.000H2O -2.000H+ = Th(OH)2+2
+ log_k -6.2000
+
+ +2.000Th+4 +2.000H2O -2.000H+ = Th2(OH)2+6
+ log_k -5.9000
+
+ +2.000Th+4 +3.000H2O -3.000H+ = Th2(OH)3+5
+ log_k -6.8000
+
+ +4.000Th+4 +8.000H2O -8.000H+ = Th4(OH)8+8
+ log_k -20.4000
+
+ +4.000Th+4 +12.000H2O -12.000H+ = Th4(OH)12+4
+ log_k -26.6000
+
+ +6.000Th+4 +14.000H2O -14.000H+ = Th6(OH)14+10
+ log_k -36.8000
+
+ +6.000Th+4 +15.000H2O -15.000H+ = Th6(OH)15+9
+ log_k -36.8000
+
+ +1.000Th+4 +1.000Cl- = ThCl+3
+ log_k 1.7000
+
+ +1.000Th+4 +1.000IO3- = ThIO3+3
+ log_k 4.1400
+
+ +1.000Th+4 +2.000IO3- = Th(IO3)2+2
+ log_k 6.9700
+
+ +1.000Th+4 +3.000IO3- = Th(IO3)3+
+ log_k 9.8700
+
+ +1.000Th+4 +1.000SO4-2 = ThSO4+2
+ log_k 6.1700
+
+ +1.000Th+4 +1.000NO3- = ThNO3+3
+ log_k 1.3000
+
+ +1.000Th+4 +2.000NO3- = Th(NO3)2+2
+ log_k 2.3000
+
+ +1.000Th+4 +1.000H3PO4 -1.000H+ = ThH2PO4+3
+ log_k 3.4500
+
+ +1.000Th+4 +1.000H3PO4 = ThH3PO4+4
+ log_k 1.8900
+
+ +1.000Th+4 +2.000H3PO4 -2.000H+ = Th(H2PO4)2+2
+ log_k 6.2000
+
+ +1.000Th+4 +2.000H3PO4 -1.000H+ = Th(H3PO4)(H2PO4)+3
+ log_k 5.4200
+
+ +1.000Th+4 +1.000OH- +4.000CO3-2 = ThOH(CO3)4-5
+ log_k 35.6000
+
+ +1.000Th+4 +2.000OH- +2.000CO3-2 = Th(OH)2(CO3)2-2
+ log_k 36.8000
+
+ +1.000Th+4 +4.000OH- +1.000CO3-2 = Th(OH)4CO3-2
+ log_k 40.4000
+
+ +1.000Th+4 +1.000SCN- = ThSCN+3
+ log_k 2.0000
+
+ +1.000Th+4 +2.000SCN- = Th(SCN)2+2
+ log_k 3.4000
+
+ +4.000Ca+2 +1.000Th+4 +8.000H2O -8.000H+ = Ca4Th(OH)8+4
+ log_k -62.4000
+
+# Th(IV) SUPPLEMENTAL DATA
+# ==========================
+
+ +1.000Th+4 +6.000F- = ThF6-2
+ log_k 29.2300
+
+ +1.000Th+4 +2.000OH- +1.000CO3-2 = Th(OH)2CO3
+ log_k 30.5000
+ -gamma 0.00 0.00
+
+ +1.000Th+4 +3.000OH- +1.000CO3-2 = Th(OH)3CO3-
+ log_k 38.3000
+
+ +1.000Th+4 +3.000Si(OH)4 +3.000H2O -6.000H+ = Th(OH)3(SiO(OH)3)3-2
+ log_k -27.8000
+
+# U(IV) RECOMMENDED DATA
+############################
+
+ +1.000U+4 +1.000H2O -1.000H+ = UOH+3
+ log_k -0.5400
+
+ +1.000U+4 +4.000H2O -4.000H+ = U(OH)4
+ log_k -10.0000
+ -gamma 0.00 0.00
+
+ +1.000U+4 +1.000F- = UF+3
+ log_k 9.4200
+
+ +1.000U+4 +2.000F- = UF2+2
+ log_k 16.5600
+
+ +1.000U+4 +3.000F- = UF3+
+ log_k 21.8900
+
+ +1.000U+4 +4.000F- = UF4
+ log_k 26.3400
+ -gamma 0.00 0.00
+
+ +1.000U+4 +5.000F- = UF5-
+ log_k 27.7300
+
+ +1.000U+4 +6.000F- = UF6-2
+ log_k 29.8000
+
+ +1.000U+4 +1.000Cl- = UCl+3
+ log_k 1.7200
+
+ +1.000U+4 +1.000SO4-2 = USO4+2
+ log_k 6.5800
+
+ +1.000U+4 +2.000SO4-2 = U(SO4)2
+ log_k 10.5100
+ -gamma 0.00 0.00
+
+ +1.000U+4 +1.000NO3- = UNO3+3
+ log_k 1.4700
+
+ +1.000U+4 +2.000NO3- = U(NO3)2+2
+ log_k 2.3000
+
+ +1.000U+4 +4.000CO3-2 = U(CO3)4-4
+ log_k 35.2200
+
+ +1.000U+4 +5.000CO3-2 = U(CO3)5-6
+ log_k 34.1000
+
+ +1.000U+4 +1.000I- = UI+3
+ log_k 1.2500
+
+ +1.000U+4 +1.000SCN- = USCN+3
+ log_k 2.9700
+
+ +1.000U+4 +2.000SCN- = U(SCN)2+2
+ log_k 4.2600
+
+# U(IV) SUPPLEMENTAL DATA
+# ==========================
+
+ +1.000U+4 +2.000H2O -2.000H+ = U(OH)2+2
+ log_k -1.1000
+
+ +1.000U+4 +3.000H2O -3.000H+ = U(OH)3+
+ log_k -4.7000
+
+ +1.000U+4 +1.000CO3-2 +3.000H2O -3.000H+ = UCO3(OH)3-
+ log_k 4.0000
+
+# U(V) RECOMMENDED DATA
+############################
+
+ +1.000UO2+ +3.000CO3-2 = UO2(CO3)3-5
+ log_k 6.9500
+
+# U(VI) RECOMMENDED DATA
+############################
+
+ +1.000UO2+2 +1.000H2O -1.000H+ = UO2OH+
+ log_k -5.2500
+
+ +1.000UO2+2 +2.000H2O -2.000H+ = UO2(OH)2
+ log_k -12.1500
+ -gamma 0.00 0.00
+
+ +1.000UO2+2 +3.000H2O -3.000H+ = UO2(OH)3-
+ log_k -20.2500
+
+ +1.000UO2+2 +4.000H2O -4.000H+ = UO2(OH)4-2
+ log_k -32.4000
+
+ +2.000UO2+2 +1.000H2O -1.000H+ = (UO2)2OH+3
+ log_k -2.7000
+
+ +2.000UO2+2 +2.000H2O -2.000H+ = (UO2)2(OH)2+2
+ log_k -5.6200
+
+ +3.000UO2+2 +4.000H2O -4.000H+ = (UO2)3(OH)4+2
+ log_k -11.9000
+
+ +3.000UO2+2 +5.000H2O -5.000H+ = (UO2)3(OH)5+
+ log_k -15.5500
+
+ +3.000UO2+2 +7.000H2O -7.000H+ = (UO2)3(OH)7-
+ log_k -32.2000
+
+ +4.000UO2+2 +7.000H2O -7.000H+ = (UO2)4(OH)7+
+ log_k -21.9000
+
+ +1.000UO2+2 +1.000F- = UO2F+
+ log_k 5.1600
+
+ +1.000UO2+2 +2.000F- = UO2F2
+ log_k 8.8300
+ -gamma 0.00 0.00
+
+ +1.000UO2+2 +3.000F- = UO2F3-
+ log_k 10.9000
+
+ +1.000UO2+2 +4.000F- = UO2F4-2
+ log_k 11.8400
+
+ +1.000UO2+2 +1.000Cl- = UO2Cl+
+ log_k 0.1700
+
+ +1.000UO2+2 +2.000Cl- = UO2Cl2
+ log_k -1.1000
+ -gamma 0.00 0.00
+
+ +1.000UO2+2 +1.000SO4-2 = UO2SO4
+ log_k 3.1500
+ -gamma 0.00 0.00
+
+ +1.000UO2+2 +2.000SO4-2 = UO2(SO4)2-2
+ log_k 4.1400
+
+ +1.000UO2+2 +1.000NO3- = UO2NO3+
+ log_k 0.3000
+
+ +1.000UO2+2 +1.000PO4-3 = UO2PO4-
+ log_k 13.2300
+
+ +1.000UO2+2 +1.000HPO4-2 = UO2HPO4
+ log_k 7.2400
+ -gamma 0.00 0.00
+
+ +1.000UO2+2 +1.000H3PO4 -1.000H+ = UO2H2PO4+
+ log_k 1.1200
+
+ +1.000UO2+2 +1.000H3PO4 = UO2H3PO4+2
+ log_k 0.7600
+
+ +1.000UO2+2 +2.000H3PO4 -2.000H+ = UO2(H2PO4)2
+ log_k 0.6400
+ -gamma 0.00 0.00
+
+ +1.000UO2+2 +1.000CO3-2 = UO2CO3
+ log_k 9.9400
+ -gamma 0.00 0.00
+
+ +1.000UO2+2 +2.000CO3-2 = UO2(CO3)2-2
+ log_k 16.6100
+
+ +1.000UO2+2 +3.000CO3-2 = UO2(CO3)3-4
+ log_k 21.8400
+
+ +3.000UO2+2 +6.000CO3-2 = (UO2)3(CO3)6-6
+ log_k 54.0000
+
+ +2.000UO2+2 +3.000H2O -3.000H+ +1.000CO3-2 = (UO2)2CO3(OH)3-
+ log_k -0.8600
+
+ +1.000UO2+2 +2.000H3PO4 -1.000H+ = UO2H2PO4H3PO4+
+ log_k 1.6500
+
+ +3.000UO2+2 +1.000CO3-2 +3.000H2O -3.000H+ = (UO2)3O(OH)2HCO3+
+ log_k 0.6600
+
+ +1.000UO2+2 +1.000IO3- = UO2IO3+
+ log_k 2.0000
+
+ +1.000UO2+2 +2.000IO3- = UO2(IO3)2
+ log_k 3.5900
+ -gamma 0.00 0.00
+
+ +1.000UO2+2 +3.000SO4-2 = UO2(SO4)3-4
+ log_k 3.0200
+
+ +1.000UO2+2 +1.000HAsO4-2 = UO2HAsO4
+ log_k 7.1600
+ -gamma 0.00 0.00
+
+ +1.000UO2+2 +1.000H3AsO4 -1.000H+ = UO2H2AsO4+
+ log_k 1.3400
+
+ +1.000UO2+2 +2.000H3AsO4 -2.000H+ = UO2(H2AsO4)2
+ log_k 0.2900
+ -gamma 0.00 0.00
+
+ +1.000UO2+2 +1.000CO3-2 +1.000F- = UO2CO3F-
+ log_k 13.7500
+
+ +1.000UO2+2 +1.000CO3-2 +2.000F- = UO2CO3F2-2
+ log_k 15.5700
+
+ +1.000UO2+2 +1.000CO3-2 +3.000F- = UO2CO3F3-3
+ log_k 16.3800
+
+ +1.000UO2+2 +1.000SiO(OH)3- = UO2SiO(OH)3+
+ log_k 7.8000
+
+ +1.000UO2+2 +1.000SCN- = UO2SCN+
+ log_k 1.4000
+
+ +1.000UO2+2 +2.000SCN- = UO2(SCN)2
+ log_k 1.2400
+ -gamma 0.00 0.00
+
+ +1.000UO2+2 +3.000SCN- = UO2(SCN)3-
+ log_k 2.1000
+
+# U(VI) SUPPLEMENTAL DATA
+# ==========================
+
+ +1.000Mg+2 +1.000UO2+2 +3.000CO3-2 = MgUO2(CO3)3-2
+ log_k 26.1100
+
+ +1.000Ca+2 +1.000UO2+2 +3.000CO3-2 = CaUO2(CO3)3-2
+ log_k 27.1800
+
+ +2.000Ca+2 +1.000UO2+2 +3.000CO3-2 = Ca2UO2(CO3)3
+ log_k 29.2200
+ -gamma 0.00 0.00
+
+ +1.000Sr+2 +1.000UO2+2 +3.000CO3-2 = SrUO2(CO3)3-2
+ log_k 26.8600
+
+ +1.000Ba+2 +1.000UO2+2 +3.000CO3-2 = BaUO2(CO3)3-2
+ log_k 26.6800
+
+ +2.000Ba+2 +1.000UO2+2 +3.000CO3-2 = Ba2UO2(CO3)3
+ log_k 29.7500
+ -gamma 0.00 0.00
+
+# Np(III) RECOMMENDED DATA
+############################
+
+ +1.000Np+3 +1.000H2O -1.000H+ = NpOH+2
+ log_k -6.8000
+
+# Np(III) SUPPLEMENTAL DATA
+# ==========================
+
++1.000Np+3 +2.000H2O -2.000H+ = Np(OH)2+
+ log_k -14.7000
+
+ +1.000Np+3 +3.000H2O -3.000H+ = Np(OH)3
+ log_k -25.8000
+ -gamma 0.00 0.00
+
+ +1.000Np+3 +1.000F- = NpF+2
+ log_k 3.4000
+
+ +1.000Np+3 +2.000F- = NpF2+
+ log_k 5.8000
+
+ +1.000Np+3 +1.000Cl- = NpCl+2
+ log_k 0.2400
+
+ +1.000Np+3 +2.000Cl- = NpCl2+
+ log_k -0.7400
+
+ +1.000Np+3 +1.000SO4-2 = NpSO4+
+ log_k 3.3000
+
+ +1.000Np+3 +2.000SO4-2 = Np(SO4)2-
+ log_k 3.7000
+
+ +1.000Np+3 +1.000CO3-2 = NpCO3+
+ log_k 8.0000
+
+ +1.000Np+3 +2.000CO3-2 = Np(CO3)2-
+ log_k 12.9000
+
+ +1.000Np+3 +3.000CO3-2 = Np(CO3)3-3
+ log_k 15.0000
+
+ +1.000Np+3 +1.000SiO(OH)3- = NpSiO(OH)3+2
+ log_k 8.1000
+
+# Np(IV) RECOMMENDED DATA
+############################
+
+ +1.000Np+4 +1.000H2O -1.000H+ = NpOH+3
+ log_k 0.5500
+
+ +1.000Np+4 +4.000H2O -4.000H+ = Np(OH)4
+ log_k -8.3000
+ -gamma 0.00 0.00
+
+ +1.000Np+4 +1.000F- = NpF+3
+ log_k 8.9600
+
+ +1.000Np+4 +2.000F- = NpF2+2
+ log_k 15.7000
+
+ +1.000Np+4 +1.000Cl- = NpCl+3
+ log_k 1.5000
+
+ +1.000Np+4 +1.000SO4-2 = NpSO4+2
+ log_k 6.8500
+
+ +1.000Np+4 +2.000SO4-2 = Np(SO4)2
+ log_k 11.0500
+ -gamma 0.00 0.00
+
+ +1.000Np+4 +1.000NO3- = NpNO3+3
+ log_k 1.9000
+
+ +1.000Np+4 +4.000CO3-2 = Np(CO3)4-4
+ log_k 38.9000
+
+ +1.000Np+4 +5.000CO3-2 = Np(CO3)5-6
+ log_k 37.8000
+
+ +1.000Np+4 +2.000H2O -2.000H+ = Np(OH)2+2
+ log_k 0.3500
+
+ +1.000Np+4 +1.000I- = NpI+3
+ log_k 1.5000
+
+ +1.000Np+4 +1.000SCN- = NpSCN+3
+ log_k 3.0000
+
+ +1.000Np+4 +2.000SCN- = Np(SCN)2+2
+ log_k 4.1000
+
+ +1.000Np+4 +3.000SCN- = Np(SCN)3+
+ log_k 4.8000
+
+# Np(IV) SUPPLEMENTAL DATA
+# ==========================
+
+ +1.000Np+4 +3.000H2O -3.000H+ = Np(OH)3+
+ log_k -2.8000
+
+ +1.000Np+4 +1.000CO3-2 +3.000H2O -3.000H+ = NpCO3(OH)3-
+ log_k 2.0000
+
+ +1.000Np+4 +1.000SiO(OH)3- = NpSiO(OH)3+3
+ log_k 11.2000
+
+# Np(V) RECOMMENDED DATA
+############################
+
+ +1.000NpO2+ +1.000H2O -1.000H+ = NpO2(OH)
+ log_k -11.3000
+ -gamma 0.00 0.00
+
+ +1.000NpO2+ +2.000H2O -2.000H+ = NpO2(OH)2-
+ log_k -23.6000
+
+ +1.000NpO2+ +1.000F- = NpO2F
+ log_k 1.2000
+ -gamma 0.00 0.00
+
+ +1.000NpO2+ +1.000SO4-2 = NpO2SO4-
+ log_k 0.4400
+
+ +1.000NpO2+ +1.000HPO4-2 = NpO2HPO4-
+ log_k 2.9500
+
+ +1.000NpO2+ +1.000CO3-2 = NpO2CO3-
+ log_k 4.9600
+
+ +1.000NpO2+ +2.000CO3-2 = NpO2(CO3)2-3
+ log_k 6.5300
+
+ +1.000NpO2+ +3.000CO3-2 = NpO2(CO3)3-5
+ log_k 5.5000
+
+ +1.000NpO2+ +2.000CO3-2 +1.000H2O -1.000H+ = NpO2(CO3)2OH-4
+ log_k -5.3000
+
+ +1.000NpO2+ +1.000IO3- = NpO2IO3
+ log_k 0.5000
+ -gamma 0.00 0.00
+
+# Np(V) SUPPLEMENTAL DATA
+# ==========================
+
+ +1.000NpO2+ +1.000SiO(OH)3- = NpO2SiO(OH)3
+ log_k 7.0000
+ -gamma 0.00 0.00
+
+ +1.000NpO2+ +1.000SCN- = NpO2SCN
+ log_k 0.0800
+ -gamma 0.00 0.00
+
+# Np(VI) RECOMMENDED DATA
+############################
+
+ +1.000NpO2+2 +1.000H2O -1.000H+ = NpO2OH+
+ log_k -5.1000
+
+ +2.000NpO2+2 +2.000H2O -2.000H+ = (NpO2)2(OH)2+2
+ log_k -6.2700
+
+ +3.000NpO2+2 +5.000H2O -5.000H+ = (NpO2)3(OH)5+
+ log_k -17.1200
+
+ +1.000NpO2+2 +1.000F- = NpO2F+
+ log_k 4.5700
+
+ +1.000NpO2+2 +2.000F- = NpO2F2
+ log_k 7.6000
+ -gamma 0.00 0.00
+
+ +1.000NpO2+2 +1.000Cl- = NpO2Cl+
+ log_k 0.4000
+
+ +1.000NpO2+2 +1.000SO4-2 = NpO2SO4
+ log_k 3.2800
+ -gamma 0.00 0.00
+
+ +1.000NpO2+2 +2.000SO4-2 = NpO2(SO4)2-2
+ log_k 4.7000
+
+ +1.000NpO2+2 +1.000CO3-2 = NpO2CO3
+ log_k 9.3200
+ -gamma 0.00 0.00
+
+ +1.000NpO2+2 +2.000CO3-2 = NpO2(CO3)2-2
+ log_k 16.5200
+
+ +1.000NpO2+2 +3.000CO3-2 = NpO2(CO3)3-4
+ log_k 19.3700
+
+ +3.000NpO2+2 +6.000CO3-2 = (NpO2)3(CO3)6-6
+ log_k 49.8400
+
+ +2.000NpO2+2 +1.000CO3-2 +3.000H2O -3.000H+ = (NpO2)2CO3(OH)3-
+ log_k -2.8700
+
+ +1.000NpO2+2 +1.000HPO4-2 = NpO2HPO4
+ log_k 6.2000
+ -gamma 0.00 0.00
+
+ +1.000NpO2+2 +1.000H2PO4- = NpO2H2PO4+
+ log_k 3.3200
+
+ +1.000NpO2+2 +2.000HPO4-2 = NpO2(HPO4)2-2
+ log_k 9.5000
+
+ +1.000NpO2+2 +1.000IO3- = NpO2IO3+
+ log_k 1.2000
+
+# Np(VI) SUPPLEMENTAL DATA
+# ==========================
+
+ +1.000NpO2+2 +3.000H2O -3.000H+ = NpO2(OH)3-
+ log_k -20.0000
+
+ +1.000NpO2+2 +4.000H2O -4.000H+ = NpO2(OH)4-2
+ log_k -32.0000
+
+ +1.000NpO2+2 +1.000SiO(OH)3- = NpO2SiO(OH)3+
+ log_k 7.2000
+
+ +1.000NpO2+2 +1.000SiO2(OH)2-2 = NpO2SiO2(OH)2
+ log_k 16.5000
+ -gamma 0.00 0.00
+
+# Pu(III) RECOMMENDED DATA
+############################
+
+ +1.000Pu+3 +1.000H2O -1.000H+ = PuOH+2
+ log_k -6.9000
+
+ +1.000Pu+3 +1.000SO4-2 = PuSO4+
+ log_k 3.9000
+
+ +1.000Pu+3 +2.000SO4-2 = Pu(SO4)2-
+ log_k 5.7000
+
+ +1.000Pu+3 +1.000SCN- = PuSCN+2
+ log_k 1.3000
+
+# Pu(III) SUPPLEMENTAL DATA
+# ==========================
+
+ +1.000Pu+3 +2.000H2O -2.000H+ = Pu(OH)2+
+ log_k -14.8000
+
+ +1.000Pu+3 +3.000H2O -3.000H+ = Pu(OH)3
+ log_k -25.9000
+ -gamma 0.00 0.00
+
+ +1.000Pu+3 +1.000F- = PuF+2
+ log_k 3.4000
+
+ +1.000Pu+3 +2.000F- = PuF2+
+ log_k 5.8000
+
+ +1.000Pu+3 +1.000Cl- = PuCl+2
+ log_k 1.2000
+
+ +1.000Pu+3 +1.000CO3-2 = PuCO3+
+ log_k 8.0000
+
+ +1.000Pu+3 +2.000CO3-2 = Pu(CO3)2-
+ log_k 12.9000
+
+ +1.000Pu+3 +3.000CO3-2 = Pu(CO3)3-3
+ log_k 15.0000
+
+ +1.000Pu+3 +1.000SiO(OH)3- = PuSiO(OH)3+2
+ log_k 8.1000
+
+# Pu(IV) RECOMMENDED DATA
+############################
+
+ +1.000Pu+4 +1.000H2O -1.000H+ = PuOH+3
+ log_k 0.0000
+
+ +1.000Pu+4 +4.000H2O -4.000H+ = Pu(OH)4
+ log_k -9.3000
+ -gamma 0.00 0.00
+
+ +1.000Pu+4 +1.000F- = PuF+3
+ log_k 8.8400
+
+ +1.000Pu+4 +2.000F- = PuF2+2
+ log_k 15.7000
+
+ +1.000Pu+4 +1.000Cl- = PuCl+3
+ log_k 1.8000
+
+ +1.000Pu+4 +1.000SO4-2 = PuSO4+2
+ log_k 6.8900
+
+ +1.000Pu+4 +2.000SO4-2 = Pu(SO4)2
+ log_k 11.1400
+ -gamma 0.00 0.00
+
+ +1.000Pu+4 +1.000NO3- = PuNO3+3
+ log_k 1.9500
+
+ +1.000Pu+4 +1.000H3PO4 = PuH3PO4+4
+ log_k 2.4000
+
+ +1.000Pu+4 +4.000CO3-2 = Pu(CO3)4-4
+ log_k 37.0000
+
+ +1.000Pu+4 +5.000CO3-2 = Pu(CO3)5-6
+ log_k 35.6500
+
+ +1.000Pu+4 +2.000H2O -2.000H+ = Pu(OH)2+2
+ log_k -1.2000
+
+ +1.000Pu+4 +3.000H2O -3.000H+ = Pu(OH)3+
+ log_k -3.1000
+
+# Pu(IV) SUPPLEMENTAL DATA
+# ==========================
+
+ +1.000Pu+4 +1.000SiO(OH)3- = PuSiO(OH)3+3
+ log_k 11.8000
+
+ +4.000Ca+2 +1.000Pu+4 +8.000H2O -8.000H+ = Ca4Pu(OH)8+4
+ log_k -55.7000
+
+ +1.000Pu+4 +1.000CO3-2 +3.000H2O -3.000H+ = PuCO3(OH)3-
+ log_k 6.0000
+
+# Pu(V) RECOMMENDED DATA
+############################
+
+ +1.000PuO2+ +1.000H2O -1.000H+ = PuO2OH
+ log_k -9.7300
+ -gamma 0.00 0.00
+
+ +1.000PuO2+ +1.000CO3-2 = PuO2CO3-
+ log_k 5.1200
+
+ +1.000PuO2+ +3.000CO3-2 = PuO2(CO3)3-5
+ log_k 5.0300
+
+# Pu(VI) RECOMMENDED DATA
+############################
+
+ +1.000PuO2+2 +1.000H2O -1.000H+ = PuO2OH+
+ log_k -5.5000
+
+ +1.000PuO2+2 +2.000H2O -2.000H+ = PuO2(OH)2
+ log_k -13.2000
+ -gamma 0.00 0.00
+
+ +2.000PuO2+2 +2.000H2O -2.000H+ = (PuO2)2(OH)2+2
+ log_k -7.5000
+
+ +1.000PuO2+2 +1.000F- = PuO2F+
+ log_k 4.5600
+
+ +1.000PuO2+2 +2.000F- = PuO2F2
+ log_k 7.2500
+ -gamma 0.00 0.00
+
+ +1.000PuO2+2 +1.000Cl- = PuO2Cl+
+ log_k 0.2300
+
+ +1.000PuO2+2 +2.000Cl- = PuO2Cl2
+ log_k -1.1500
+ -gamma 0.00 0.00
+
+ +1.000PuO2+2 +1.000SO4-2 = PuO2SO4
+ log_k 3.3800
+ -gamma 0.00 0.00
+
+ +1.000PuO2+2 +2.000SO4-2 = PuO2(SO4)2-2
+ log_k 4.4000
+
+ +1.000PuO2+2 +1.000CO3-2 = PuO2CO3
+ log_k 9.5000
+ -gamma 0.00 0.00
+
+ +1.000PuO2+2 +2.000CO3-2 = PuO2(CO3)2-2
+ log_k 14.7000
+
+ +1.000PuO2+2 +3.000CO3-2 = PuO2(CO3)3-4
+ log_k 18.0000
+
+# Pu(VI) SUPPLEMENTAL DATA
+# ==========================
+
+ +1.000PuO2+2 +1.000SiO(OH)3- = PuO2SiO(OH)3+
+ log_k 6.0000
+
+ +1.000PuO2+2 +1.000SiO2(OH)2-2 = PuO2SiO2(OH)2
+ log_k 12.6000
+ -gamma 0.00 0.00
+
+# RECOMMENDED DATA
+# U(VI)
+# Np(VI) Mixed
+# Pu(VI)
+############################
+
+ +2.000UO2+2 +1.000NpO2+2 +6.000CO3-2 = (UO2)2NpO2(CO3)6-6
+ log_k 53.5900
+
+ +2.000UO2+2 +1.000PuO2+2 +6.000CO3-2 = (UO2)2PuO2(CO3)6-6
+ log_k 52.7000
+
+# Am(III) RECOMMENDED DATA
+############################
+
+ +1.000Am+3 +1.000H2O -1.000H+ = AmOH+2
+ log_k -7.2000
+
+ +1.000Am+3 +2.000H2O -2.000H+ = Am(OH)2+
+ log_k -15.1000
+
+ +1.000Am+3 +3.000H2O -3.000H+ = Am(OH)3
+ log_k -26.2000
+ -gamma 0.00 0.00
+
+ +1.000Am+3 +1.000F- = AmF+2
+ log_k 3.4000
+
+ +1.000Am+3 +2.000F- = AmF2+
+ log_k 5.8000
+
+ +1.000Am+3 +1.000Cl- = AmCl+2
+ log_k 0.2400
+
+ +1.000Am+3 +1.000SO4-2 = AmSO4+
+ log_k 3.3000
+
+ +1.000Am+3 +2.000SO4-2 = Am(SO4)2-
+ log_k 3.7000
+
+ +1.000Am+3 +1.000NO3- = AmNO3+2
+ log_k 1.3300
+
+ +1.000Am+3 +1.000H2PO4- = AmH2PO4+2
+ log_k 3.0000
+
+ +1.000Am+3 +1.000CO3-2 = AmCO3+
+ log_k 8.0000
+
+ +1.000Am+3 +2.000CO3-2 = Am(CO3)2-
+ log_k 12.9000
+
+ +1.000Am+3 +3.000CO3-2 = Am(CO3)3-3
+ log_k 15.0000
+
+ +1.000Am+3 +1.000SiO(OH)3- = AmSiO(OH)3+2
+ log_k 8.1000
+
+ +1.000Am+3 +2.000Cl- = AmCl2+
+ log_k -0.7400
+
+ +1.000Am+3 +1.000HCO3- = AmHCO3+2
+ log_k 3.1000
+
+ +1.000Am+3 +1.000SCN- = AmSCN+2
+ log_k 1.3000
+
+# Am(III) SUPPLEMENTAL DATA
+# ==========================
+
+ +1.000Ca+2 +1.000Am+3 +3.000H2O -3.000H+ = CaAm(OH)3+2
+ log_k -26.3000
+
+ +2.000Ca+2 +1.000Am+3 +4.000H2O -4.000H+ = Ca2Am(OH)4+3
+ log_k -37.2000
+
+ +3.000Ca+2 +1.000Am+3 +6.000H2O -6.000H+ = Ca3Am(OH)6+3
+ log_k -60.7000
+
+# Am(V) RECOMMENDED DATA
+############################
+
+ +1.000AmO2+ +1.000H2O -1.000H+ = AmO2OH
+ log_k -11.3000
+ -gamma 0.00 0.00
+
+ +1.000AmO2+ +2.000H2O -2.000H+ = AmO2(OH)2-
+ log_k -23.6000
+
+ +1.000AmO2+ +1.000CO3-2 = AmO2CO3-
+ log_k 5.1000
+
+ +1.000AmO2+ +2.000CO3-2 = AmO2(CO3)2-3
+ log_k 6.7000
+
+ +1.000AmO2+ +3.000CO3-2 = AmO2(CO3)3-5
+ log_k 5.1000
+
+# Cm(III) RECOMMENDED DATA
+############################
+
+ +1.000Cm+3 +1.000H2O -1.000H+ = CmOH+2
+ log_k -7.2000
+
+ +1.000Cm+3 +2.000H2O -2.000H+ = Cm(OH)2+
+ log_k -15.1000
+
+ +1.000Cm+3 +3.000H2O -3.000H+ = Cm(OH)3
+ log_k -26.2000
+ -gamma 0.00 0.00
+
+ +1.000Cm+3 +1.000F- = CmF+2
+ log_k 3.4000
+
+ +1.000Cm+3 +2.000F- = CmF2+
+ log_k 5.8000
+
+ +1.000Cm+3 +1.000Cl- = CmCl+2
+ log_k 0.2400
+
+ +1.000Cm+3 +2.000Cl- = CmCl2+
+ log_k -0.7400
+
+ +1.000Cm+3 +1.000SO4-2 = CmSO4+
+ log_k 3.3000
+
+ +1.000Cm+3 +2.000SO4-2 = Cm(SO4)2-
+ log_k 3.7000
+
+ +1.000Cm+3 +1.000NO3- = CmNO3+2
+ log_k 1.3300
+
+ +1.000Cm+3 +1.000H2PO4- = CmH2PO4+2
+ log_k 3.0000
+
+ +1.000Cm+3 +1.000CO3-2 = CmCO3+
+ log_k 8.0000
+
+ +1.000Cm+3 +2.000CO3-2 = Cm(CO3)2-
+ log_k 12.9000
+
+ +1.000Cm+3 +3.000CO3-2 = Cm(CO3)3-3
+ log_k 15.0000
+
+ +1.000Cm+3 +1.000HCO3- = CmHCO3+2
+ log_k 3.1000
+
+ +1.000Cm+3 +1.000SiO(OH)3- = CmSiO(OH)3+2
+ log_k 8.1000
+
+ +1.000Cm+3 +1.000SCN- = CmSCN+2
+ log_k 1.3000
+
+# Cm(III) SUPPLEMENTAL DATA
+# ==========================
+
+ +1.000Ca+2 +1.000Cm+3 +3.000H2O -3.000H+ = CaCm(OH)3+2
+ log_k -26.3000
+
+ +2.000Ca+2 +1.000Cm+3 +4.000H2O -4.000H+ = Ca2Cm(OH)4+3
+ log_k -37.2000
+
+ +3.000Ca+2 +1.000Cm+3 +6.000H2O -6.000H+ = Ca3Cm(OH)6+3
+ log_k -60.7000
+
+PHASES
+
+# PMATCH MINERALS
+
+# Minerals RECOMMENDED DATA
+############################
+
+Anhydrite
+CaSO4 = +1.000Ca+2 +1.000SO4-2
+ log_k -4.3575
+
+Aragonite
+CaCO3 = +1.000Ca+2 -1.000H+ +1.000HCO3-
+ log_k 1.9928
+
+As(cr)
+As = +1.000HAsO4-2 +7.000H+ +5.000e- -4.000H2O
+ log_k -40.9892
+
+Barite
+BaSO4 = +1.000Ba+2 +1.000SO4-2
+ log_k -9.9704
+
+Brucite
+Mg(OH)2 = +1.000Mg+2 +2.000H2O -2.000H+
+ log_k 16.8400
+
+Calcite
+CaCO3 = +1.000Ca+2 -1.000H+ +1.000HCO3-
+ log_k 1.8490
+
+Celestite
+SrSO4 = +1.000Sr+2 +1.000SO4-2
+ log_k -6.6319
+
+Dolomite(dis)
+CaMg(CO3)2 = +1.000Ca+2 +1.000Mg+2 -2.000H+ +2.000HCO3-
+ log_k 4.1180
+
+Dolomite(ord)
+CaMg(CO3)2 = +1.000Ca+2 +1.000Mg+2 -2.000H+ +2.000HCO3-
+ log_k 3.5680
+
+Fe(cr)
+Fe = +1.000Fe+2 +2.000e-
+ log_k 13.8226
+
+Fluorite
+CaF2 = +1.000Ca+2 +2.000F-
+ log_k -10.5997
+
+Goethite
+FeOOH = +2.000H2O -3.000H+ +1.000Fe+3
+ log_k -1.0000
+
+Graphite
+C = +1.000HCO3- +5.000H+ +4.000e- -3.000H2O
+ log_k -21.8192
+
+Gypsum
+CaSO4:2H2O = +1.000Ca+2 +1.000SO4-2 +2.000H2O
+ log_k -4.5809
+
+Hausmannite
+MnMn2O4 = +3.000Mn+2 +4.000H2O -8.000H+ -2.000e-
+ log_k 61.0300
+
+Manganite
+MnOOH = +1.000Mn+2 +2.000H2O -3.000H+ -1.000e-
+ log_k 25.3400
+
+Melanterite
+FeSO4:7H2O = +1.000Fe+2 +1.000SO4-2 +7.000H2O
+ log_k -2.2093
+
+Mo(cr)
+Mo = +1.000MoO4-2 +8.000H+ +6.000e- -4.000H2O
+ log_k 19.6670
+# bug: log_k entered manually
+
+Tugarinovite
+MoO2 = +1.000MoO4-2 +4.000H+ +2.000e- -2.000H2O
+ log_k 29.9560
+# bug: log_k entered manually
+
+Molybdite
+MoO3 = +1.000MoO4-2 +2.000H+ -1.000H2O
+ log_k 12.0550
+# bug: log_k entered manually
+
+Nb2O5(cr)
+Nb2O5 = +2.000NbO3- +2.000H+ -1.000H2O
+ log_k 24.3410
+# bug: log_k entered manually
+
+NbO2(cr)
+NbO2 = +1.000NbO3- +2.000H+ +1.000e- -1.000H2O
+ log_k 7.9780
+# bug: log_k entered manually
+
+Portlandite
+Ca(OH)2 = +1.000Ca+2 +2.000H2O -2.000H+
+ log_k 22.8000
+
+Pyrochroite
+Mn(OH)2 = +1.000Mn+2 +2.000H2O -2.000H+
+ log_k 15.2000
+
+Pyrolusite
+MnO2 = +1.000Mn+2 +2.000H2O -4.000H+ -2.000e-
+ log_k 41.3800
+
+Rhodochrosite
+MnCO3 = +1.000Mn+2 +1.000HCO3- -1.000H+
+ log_k -0.8011
+
+Rhodochrosite(syn)
+MnCO3 = +1.000Mn+2 +1.000HCO3- -1.000H+
+ log_k -0.0611
+
+Siderite
+FeCO3 = +1.000Fe+2 +1.000HCO3- -1.000H+
+ log_k -0.5612
+
+FeCO3(pr)
+FeCO3 = +1.000Fe+2 +1.000HCO3- -1.000H+
+ log_k -0.1211
+
+Strontianite
+SrCO3 = +1.000Sr+2 -1.000H+ +1.000HCO3-
+ log_k 1.0583
+
+Witherite
+BaCO3 = +1.000Ba+2 -1.000H+ +1.000HCO3-
+ log_k 1.7672
+
+Hematite
+Fe2O3 = +3.000H2O -6.000H+ +2.000Fe+3
+ log_k 1.1200
+
+Pyrite
+FeS2 = +1.000Fe+2 +2.000HS- -2.000H+ -2.000e-
+ log_k -18.5000
+
+Troilite
+FeS = +1.000Fe+2 +1.000HS- -1.000H+
+ log_k -5.3100
+
+Magnesite
+MgCO3 = +1.000Mg+2 -1.000H+ +1.000HCO3-
+ log_k 2.0410
+
+S(rhomb)
+S = +1.000HS- -1.000H+ -2.000e-
+ log_k -2.1440
+
+Fe(OH)3(am)
+Fe(OH)3 = +3.000H2O -3.000H+ +1.000Fe+3
+ log_k 5.0000
+
+Fe(OH)3(mic)
+Fe(OH)3 = +3.000H2O -3.000H+ +1.000Fe+3
+ log_k 3.0000
+
+Magnetite
+FeFe2O4 = +1.000Fe+2 +4.000H2O -8.000H+ +2.000Fe+3
+ log_k 10.0200
+
+Gibbsite
+Al(OH)3 = +1.000Al+3 +3.000H2O -3.000H+
+ log_k 7.7559
+
+# Si(IV) RECOMMENDED DATA
+############################
+
+Quartz
+SiO2 = +1.000Si(OH)4 -2.000H2O
+ log_k -3.7460
+
+SiO2(am)
+SiO2 = +1.000Si(OH)4 -2.000H2O
+ log_k -2.7140
+
+Kaolinite
+Al2Si2O5(OH)4 = +2.000Al+3 +2.000Si(OH)4 +1.000H2O -6.000H+
+ log_k 7.4350
+
+# Ni(II) RECOMMENDED DATA
+############################
+
+NiCO3(cr)
+NiCO3 = +1.000Ni+2 +1.000CO3-2
+ log_k -11.0000
+
+Ni(OH)2(cr, beta)
+Ni(OH)2 = +1.000Ni+2 +2.000H2O -2.000H+
+ log_k 11.0200
+
+NiO(cr)
+NiO = +1.000Ni+2 +1.000H2O -2.000H+
+ log_k 12.4800
+
+NiCO3:5.5H2O(s)
+NiCO3:5.5H2O = +1.000Ni+2 +1.000CO3-2 +5.500H2O
+ log_k -7.5300
+
+Ni3(AsO4)2:8H2O(s)
+Ni3(AsO4)2:8H2O = +3.000Ni+2 +2.000AsO4-3 +8.000H2O
+ log_k -28.1000
+
+# Se(-II) SUPPLEMENTAL DATA
+# ==========================
+
+MnSe(s)
+MnSe = +1.000Mn+2 +1.000Se-2
+ log_k -16.0000
+
+# Se(IV) RECOMMENDED DATA
+############################
+
+Se(cr)
+Se = +1.000SeO3-2 +6.000H+ +4.000e- -3.000H2O
+ log_k -61.1500
+
+NiSeO3:2H2O(cr)
+NiSeO3:2H2O = +1.000Ni+2 +1.000SeO3-2 +2.000H2O
+ log_k -5.8000
+
+MnSeO3:2H2O(cr)
+MnSeO3:2H2O = +1.000Mn+2 +1.000SeO3-2 +2.000H2O
+ log_k -7.6000
+
+MgSeO3:6H2O(cr)
+MgSeO3:6H2O = +1.000Mg+2 +1.000SeO3-2 +6.000H2O
+ log_k -5.8200
+
+CaSeO3:H2O(cr)
+CaSeO3:H2O = +1.000Ca+2 +1.000SeO3-2 +1.000H2O
+ log_k -6.4000
+
+SrSeO3(cr)
+SrSeO3 = +1.000Sr+2 +1.000SeO3-2
+ log_k -6.3000
+
+BaSeO3(cr)
+BaSeO3 = +1.000Ba+2 +1.000SeO3-2
+ log_k -6.5000
+
+# Se(VI) RECOMMENDED DATA
+############################
+
+BaSeO4(cr)
+BaSeO4 = +1.000Ba+2 +1.000SeO4-2
+ log_k -7.5600
+
+# Zr(IV) RECOMMENDED DATA
+############################
+
+Baddeleyite
+ZrO2 = +1.000Zr+4 +2.000H2O -4.000H+
+ log_k -7.0000
+
+Zr(OH)4(am,fr)
+Zr(OH)4 = +1.000Zr+4 +4.000H2O -4.000H+
+ log_k -3.2400
+
+# Zr(IV) SUPPLEMENTAL DATA
+# ==========================
+
+Zr(HPO4)2:H2O(cr)
+Zr(HPO4)2:H2O = +1.000Zr+4 +2.000H3PO4 +1.000H2O -4.000H+
+ log_k -22.8000
+
+
+# Tc(IV) RECOMMENDED DATA
+############################
+
+TcO2:1.6H2O(s)
+TcO2:1.6H2O = +1.000TcO(OH)2 +0.600H2O
+ log_k -8.4000
+
+# Pd(II) RECOMMENDED DATA
+############################
+
+Pd(cr)
+Pd = +1.000Pd+2 +2.000e-
+ log_k -30.8000
+
+Pd(OH)2(s)
+Pd(OH)2 = +1.000Pd+2 -2.000H+ +2.000H2O
+ log_k -3.3000
+
+# Tn(II) RECOMMENDED DATA
+############################
+
+Tn(cr)
+Tn = +1.00Tn+2 +2.000e-
+ log_k 4.6300
+
+TnO(s)
+TnO = +1.000Tn+2 +1.000H2O -2.000H+
+ log_k 2.5000
+
+TnS(pr)
+TnS = +1.000Tn+2 +1.000HS- -1.000H+
+ log_k -14.7000
+
+# Sn(IV) RECOMMENDED DATA
+############################
+
+Cassiterite
+SnO2 = +1.000Sn(OH)4 -2.000H2O
+ log_k -8.0000
+
+SnO2(am)
+SnO2 = +1.000Sn(OH)4 -2.000H2O
+ log_k -7.3000
+
+CaSn(OH)6(s)
+CaSn(OH)6 = +1.000Sn(OH)4 +2.000H2O +1.000Ca+2 -2.000H+
+ log_k 8.7000
+
+# Ra(II) RECOMMENDED DATA
+############################
+
+RaCO3(cr)
+RaCO3 = +1.000Ra+2 +1.000CO3-2
+ log_k -8.3000
+
+RaSO4(cr)
+RaSO4 = +1.000Ra+2 +1.000SO4-2
+ log_k -10.2600
+
+# Eu(III) RECOMMENDED DATA
+############################
+
+Eu(OH)3(cr)
+Eu(OH)3 = +1.000Eu+3 +3.000H2O -3.000H+
+ log_k 14.9000
+
+Eu(OH)3(am)
+Eu(OH)3 = +1.000Eu+3 +3.000H2O -3.000H+
+ log_k 17.6000
+
+Eu2(CO3)3(cr)
+Eu2(CO3)3 = +2.000Eu+3 +3.000CO3-2
+ log_k -35.0000
+
+EuOHCO3(cr)
+EuOHCO3 = +1.000Eu+3 +1.000OH- +1.000CO3-2
+ log_k -21.7000
+
+EuF3(cr)
+EuF3 = +1.000Eu+3 +3.000F-
+ log_k -17.4000
+
+# Th(IV) RECOMMENDED DATA
+############################
+
+ThO2(am,hyd,fr)
+ThO2 = +1.000Th+4 +2.000H2O -4.000H+
+ log_k 9.3000
+
+ThO2(am,hyd,ag)
+ThO2 = +1.000Th+4 +2.000H2O -4.000H+
+ log_k 8.5000
+
+ThF4(cr,hyd)
+ThF4 = +1.000Th+4 +4.000F-
+ log_k -31.8000
+
+Na6Th(CO3)5:12H2O(cr)
+Na6Th(CO3)5:12H2O = +6.000Na+ +1.000Th+4 +5.000CO3-2 +12.000H2O
+ log_k -42.2000
+
+# Th(IV) SUPPLEMENTAL DATA
+# ==========================
+
+Th3(PO4)4(s)
+Th3(PO4)4 = +3.000Th+4 +4.000PO4-3
+ log_k -112.0000
+
+# U(IV) RECOMMENDED DATA
+############################
+
+UF4:2.5H2O(cr)
+UF4:2.5H2O = +1.000U+4 +4.000F- +2.500H2O
+ log_k -30.1200
+
+U(OH)2SO4(cr)
+U(OH)2SO4 = +1.000U+4 +1.000SO4-2 +2.000H2O -2.000H+
+ log_k -3.1700
+
+UO2(am,hyd)
+UO2 = +1.000U+4 +2.000H2O -4.000H+
+ log_k 1.5000
+
+# U(IV) SUPPLEMENTAL DATA
+# ==========================
+
+USiO4(s)
+USiO4 = +1.000U+4 +1.000Si(OH)4 -4.000H+
+ log_k -1.5000
+
+# U(VI) RECOMMENDED DATA
+############################
+
+Rutherfordine
+UO2CO3 = +1.000UO2+2 +1.000CO3-2
+ log_k -14.7600
+
+Chernikovite
+UO2HPO4:4H2O = +1.000UO2+2 +1.000H3PO4 +4.000H2O -2.000H+
+ log_k -2.5000
+
+(UO2)3(PO4)2:4H2O(cr)
+(UO2)3(PO4)2:4H2O = +3.000UO2+2 +2.000H3PO4 +4.000H2O -6.000H+
+ log_k -5.9600
+
+Metaschoepite
+UO3:2H2O = +1.000UO2+2 +3.000H2O -2.000H+
+ log_k 5.9600
+
+Becquerelite
+CaU6O19:11H2O = +1.000Ca+2 +6.000UO2+2 +18.000H2O -14.000H+
+ log_k 40.5000
+
+Compreignacite
+K2U6O19:11H2O = +2.000K+ +6.000UO2+2 +18.000H2O -14.000H+
+ log_k 37.1000
+
+# U(VI) SUPPLEMENTAL DATA
+# ==========================
+
+Soddyite
+(UO2)2SiO4:2H2O = +2.000UO2+2 +1.000Si(OH)4 +2.000H2O -4.000H+
+ log_k 6.2000
+
+Uranophane
+Ca(H3O)2(UO2)2(SiO4)2:3H2O = +1.000Ca+2 +2.000UO2+2 +2.000Si(OH)4 +5.000H2O -6.000H+
+ log_k 9.4000
+
+Na-Boltwoodite
+Na(H3O)UO2SiO4:H2O = +1.000Na+ +1.000UO2+2 +1.000Si(OH)4 +2.000H2O -3.000H+
+ log_k 5.8000
+
+Na-Weeksite
+Na2(UO2)2(Si2O5)3:4H2O = +2.000Na+ +2.000UO2+2 +6.000Si(OH)4 -6.000H+ -5.000H2O
+ log_k 1.5000
+
+# Np(IV) RECOMMENDED DATA
+############################
+
+NpO2(am,hyd)
+NpO2 = +1.000Np+4 +2.000H2O -4.000H+
+ log_k -0.7000
+
+# Np(V) RECOMMENDED DATA
+############################
+
+NpO2OH(am,fr)
+NpO2OH = +1.000NpO2+ +1.000H2O -1.000H+
+ log_k 5.3000
+
+NaNpO2CO3:3.5H2O(cr)
+NaNpO2CO3:3.5H2O = +1.000Na+ +1.000NpO2+ +1.000CO3-2 +3.500H2O
+ log_k -11.0000
+
+Na3NpO2(CO3)2(cr)
+Na3NpO2(CO3)2 = +3.000Na+ +1.000NpO2+ +2.000CO3-2
+ log_k -14.2200
+
+KNpO2CO3(s)
+KNpO2CO3 = +1.000K+ +1.000NpO2+ +1.000CO3-2
+ log_k -13.1500
+
+K3NpO2(CO3)2(s)
+K3NpO2(CO3)2 = +3.000K+ +1.000NpO2+ +2.000CO3-2
+ log_k -15.4600
+
+NpO2OH(am,ag)
+NpO2OH = +1.000NpO2+ +1.000H2O -1.000H+
+ log_k 4.7000
+
+# Np(VI) RECOMMENDED DATA
+############################
+
+NpO2CO3(s)
+NpO2CO3 = +1.000NpO2+2 +1.000CO3-2
+ log_k -14.6000
+
+NpO3:H2O(cr)
+NpO3:H2O = +1.000NpO2+2 +2.000H2O -2.000H+
+ log_k 5.4700
+
+K4NpO2(CO3)3(s)
+K4NpO2(CO3)3 = +4.000K+ +1.000NpO2+2 +3.000CO3-2
+ log_k -26.4000
+
+(NH4)4NpO2(CO3)3(s)
+(NH4)4NpO2(CO3)3 = +4.000NH4+ +1.000NpO2+2 +3.000CO3-2
+ log_k -26.8100
+
+# Pu(III) RECOMMENDED DATA
+############################
+
+Pu(OH)3(cr)
+Pu(OH)3 = +1.000Pu+3 +3.000H2O -3.000H+
+ log_k 15.8000
+
+PuPO4(s,hyd)
+PuPO4 = +1.000Pu+3 +1.000PO4-3
+ log_k -24.6000
+
+# Pu(IV) RECOMMENDED DATA
+############################
+
+Pu(HPO4)2(am,hyd)
+Pu(HPO4)2 = +1.000Pu+4 +2.000HPO4-2
+ log_k -30.4500
+
+PuO2(hyd,ag)
+PuO2 = +1.000Pu+4 +2.000H2O -4.000H+
+ log_k -2.3300
+
+# Pu(V) RECOMMENDED DATA
+############################
+
+PuO2OH(am)
+PuO2OH = +1.000PuO2+ +1.000H2O -1.000H+
+ log_k 5.0000
+
+# Pu(VI) RECOMMENDED DATA
+############################
+
+PuO2(OH)2:H2O(cr)
+PuO2(OH)2:H2O = +1.000PuO2+2 +3.000H2O -2.000H+
+ log_k 5.5000
+
+PuO2CO3(s)
+PuO2CO3 = +1.000PuO2+2 +1.000CO3-2
+ log_k -14.6500
+
+# Am(III) RECOMMENDED DATA
+############################
+
+Am(OH)3(cr)
+Am(OH)3 = +1.000Am+3 +3.000H2O -3.000H+
+ log_k 15.6000
+
+Am(OH)3(am)
+Am(OH)3 = +1.000Am+3 +3.000H2O -3.000H+
+ log_k 16.9000
+
+Am(CO3)1.5(am,hyd)
+Am(CO3)1.5 = +1.000Am+3 +1.500CO3-2
+ log_k -16.7000
+
+AmOHCO3:0.5H2O(cr)
+AmOHCO3:0.5H2O = +1.000Am+3 +1.000OH- +1.000CO3-2 +0.500H2O
+ log_k -22.4000
+
+AmOHCO3(am,hyd)
+AmOHCO3 = +1.000Am+3 +1.000OH- +1.000CO3-2
+ log_k -20.2000
+
+NaAm(CO3)2:5H2O(cr)
+NaAm(CO3)2:5H2O = +1.000Na+ +1.000Am+3 +2.000CO3-2 +5.000H2O
+ log_k -21.0000
+
+# Am(V) RECOMMENDED DATA
+############################
+
+AmO2OH(am)
+AmO2OH = +1.000AmO2+ +1.000H2O -1.000H+
+ log_k 5.3000
+
+NaAmO2CO3(s)
+NaAmO2CO3 = +1.000Na+ +1.000AmO2+ +1.000CO3-2
+ log_k -10.9000
+
+# Cm(III) SUPPLEMENTAL DATA
+# ==========================
+
+Cm(OH)3(am,coll)
+Cm(OH)3 = +1.000Cm+3 +3.000H2O -3.000H+
+ log_k 17.2000
+
+
+# PMATCH GASES
+
+CH4(g)
+CH4 = +1.000CH4
+ log_k -2.8565
+
+CO2(g)
+CO2 = +1.000H+ -1.000H2O +1.000HCO3-
+ log_k -7.8198
+
+H2(g)
+H2 = +1.000H2
+ log_k -3.1056
+
+N2(g)
+N2 = +1.000N2
+ log_k -3.1864
+
+O2(g)
+O2 = +1.000O2
+ log_k -2.8944
+
+H2S(g)
+H2S = +1.000HS- +1.000H+
+ log_k -8.0100
+
+H2Se(g)
+H2Se = +1.000H2Se
+ log_k -1.1000
+
+
+END
diff --git a/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/calcite.prj b/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/calcite.prj
index 977831b38ead36744b206ea3829823d33058aa8e..4f65ea2e33e7eb6fe4fbac692807b0074157fd03 100644
--- a/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/calcite.prj
+++ b/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/calcite.prj
@@ -351,7 +351,7 @@
</output>
</time_loop>
<chemical_system chemical_solver="Phreeqc">
- <database>NAPSI_290502.dat</database>
+ <database>PSINA_12_07_110615_DAV_s.dat</database>
<solution>
<temperature>25</temperature>
<pressure>1</pressure>
diff --git a/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/calcite_pcs_5_ts_126_t_12600.000000_expected.vtu b/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/calcite_pcs_5_ts_126_t_12600.000000_expected.vtu
index 6fe4ac04ba9aa0d94007258f6dc85d037a2545c7..8e27e02b7cb03144a4a3d6320ee28e8863f1af85 100644
--- a/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/calcite_pcs_5_ts_126_t_12600.000000_expected.vtu
+++ b/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/calcite_pcs_5_ts_126_t_12600.000000_expected.vtu
@@ -1,3 +1,3 @@
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+size 11848
diff --git a/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/calcite_pcs_5_ts_168_t_16800.000000_expected.vtu b/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/calcite_pcs_5_ts_168_t_16800.000000_expected.vtu
index 4f6a7a70e96c8a4a232559ebf89f80ceb4a2f912..56f679bfce5ddb72f6aaeb54f4ea45b9b410f542 100644
--- a/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/calcite_pcs_5_ts_168_t_16800.000000_expected.vtu
+++ b/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/calcite_pcs_5_ts_168_t_16800.000000_expected.vtu
@@ -1,3 +1,3 @@
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+size 12380
diff --git a/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/calcite_pcs_5_ts_210_t_21000.000000_expected.vtu b/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/calcite_pcs_5_ts_210_t_21000.000000_expected.vtu
index 25b158e9e51209e82609e6e51bdb3e576e147223..f4fd0db16b2967ea215808b35d82a704db2c1062 100644
--- a/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/calcite_pcs_5_ts_210_t_21000.000000_expected.vtu
+++ b/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/calcite_pcs_5_ts_210_t_21000.000000_expected.vtu
@@ -1,3 +1,3 @@
version https://git-lfs.github.com/spec/v1
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-size 10618
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+size 12548
diff --git a/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/calcite_pcs_5_ts_42_t_4200.000000_expected.vtu b/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/calcite_pcs_5_ts_42_t_4200.000000_expected.vtu
index 532ad9a1d35909bd3a78fe2237b006f0acc76808..8c90278837b943cd2aa201fef0b16fe8176bdfdb 100644
--- a/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/calcite_pcs_5_ts_42_t_4200.000000_expected.vtu
+++ b/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/calcite_pcs_5_ts_42_t_4200.000000_expected.vtu
@@ -1,3 +1,3 @@
version https://git-lfs.github.com/spec/v1
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+size 9492
diff --git a/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/calcite_pcs_5_ts_84_t_8400.000000_expected.vtu b/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/calcite_pcs_5_ts_84_t_8400.000000_expected.vtu
index bbdd88c5ba6bad75516666ef480d79e8c0408a87..a0d383956772bb58c137620b88dea5724bc86af8 100644
--- a/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/calcite_pcs_5_ts_84_t_8400.000000_expected.vtu
+++ b/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/calcite_pcs_5_ts_84_t_8400.000000_expected.vtu
@@ -1,3 +1,3 @@
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+size 10764
diff --git a/web/content/docs/benchmarks/reactive-transport/ResultComparison.png b/web/content/docs/benchmarks/reactive-transport/ResultComparison.png
deleted file mode 100755
index 4abb68d5c90b5f0eea58403dca2e7b42ca78bbb4..0000000000000000000000000000000000000000
--- a/web/content/docs/benchmarks/reactive-transport/ResultComparison.png
+++ /dev/null
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diff --git a/web/content/docs/benchmarks/reactive-transport/calcite-Figures/ResultComparison.png b/web/content/docs/benchmarks/reactive-transport/calcite-Figures/ResultComparison.png
new file mode 100755
index 0000000000000000000000000000000000000000..caf11a5b50b69672ae10cda9a78a030a17c09646
--- /dev/null
+++ b/web/content/docs/benchmarks/reactive-transport/calcite-Figures/ResultComparison.png
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:0ca09a2117cc1c369a139a8d93256c2a8929b6ecd3b9a6d257b32d150defb38a
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diff --git a/web/content/docs/benchmarks/reactive-transport/calcite-Figures/ResultComparisonPH.png b/web/content/docs/benchmarks/reactive-transport/calcite-Figures/ResultComparisonPH.png
new file mode 100755
index 0000000000000000000000000000000000000000..ce2510e76f523e7f08877f9a0d70b40f0793d0b8
--- /dev/null
+++ b/web/content/docs/benchmarks/reactive-transport/calcite-Figures/ResultComparisonPH.png
@@ -0,0 +1,3 @@
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+oid sha256:f883abd314a28110d6817a2c98eb5b0a87e2be0d673c47ec2c837f8eccd5a443
+size 40707
diff --git a/web/content/docs/benchmarks/reactive-transport/calcite-Figures/Scheme.png b/web/content/docs/benchmarks/reactive-transport/calcite-Figures/Scheme.png
new file mode 100644
index 0000000000000000000000000000000000000000..e3fc24a4fd5ef2ab13af7bf5e37925272e9ad795
--- /dev/null
+++ b/web/content/docs/benchmarks/reactive-transport/calcite-Figures/Scheme.png
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:df9f68467d6879ad556b730d009f378ad9ac3916c2302e5ae2843d585d73736c
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diff --git a/web/content/docs/benchmarks/reactive-transport/calcite.pandoc b/web/content/docs/benchmarks/reactive-transport/calcite.pandoc
index f03545329388b1d02fa303124b15b07d2ba49c50..66e4b34a7ab48d60f1ebd5663b042e3ac7138056 100644
--- a/web/content/docs/benchmarks/reactive-transport/calcite.pandoc
+++ b/web/content/docs/benchmarks/reactive-transport/calcite.pandoc
@@ -2,8 +2,8 @@
author = "Vanessa Montoya, Renchao Lu"
weight = 142
project = "Parabolic/ComponentTransport/ReactiveTransport/EquilibriumPhase/calcite.prj"
-date = "2017-09-07T14:41:09+01:00"
-title = "Advective flow and precipitation/dissolution equilibrium reactions"
+date = "2019-07-08T14:41:09+01:00"
+title = "Precipitation/dissolution equilibrium reactions in a saturated column"
[menu]
[menu.benchmarks]
@@ -16,22 +16,60 @@ title = "Advective flow and precipitation/dissolution equilibrium reactions"
## Overview
-This benchmark was originally described in Kolditz et al. (2012) as a reactive transport benchmark including precipitation and dissolution reactions along a saturated column of calcite which is fluxed with a diluted solution of $\mathrm{MgCl}_2$. Three different codes (OGS.5-ChemApp, OGS.5-iPHREEQC and OGS.5-GEMS) were used in that exercise.
-Kolditz et al. (2012) considered that all reactions occurred at thermodynamic equilibrium. Later on, in He et al. (2015) and Jang et al. (2018), the incorporation of kinetic rates for reaction precipitations in OGS.5-iPHREEQC was investigated and compared with the modelling results obtained with OGS.5-ChemApp and PHREEQC.
-Very briefly, the studied system consists on a column of 0.5 m, initially containing crushed calcite ($\mathrm{CaCO}_3$(s)), which is continuously fluxed with a 1 millimolar (mmol/L) magnesium chloride ($\mathrm{MgCl}_2$) solution at pH = 7 and 25°C during 350 min (~ 5.8h) at a constant flow rate of 0.18 L/min.
-Previous to the experiment, the column had been packed giving a mean bulk density and porosity of 1.80 Kg/L and 0.32, respectively. The column was saturated and equilibrated by injecting pure water giving a saturated solution with respect calcite and pH = 9.9.
+This benchmark was firstly described in Kolditz *et al.* (2012) as a reactive transport benchmark including precipitation and dissolution reactions along a saturated column of calcite which is fluxed with a diluted solution of MgCl$_2$. Three different codes (OGS-5#ChemApp, OGS-5#IPhreeqc and OGS-5#GEMS) were used in that exercise.
+Kolditz *et al.* (2012) considered that all reactions occurred at thermodynamic equilibrium. Later on, in He *et al.* (2015) and Jang *et al.* (2018), the incorporation of kinetic rates for reaction precipitations in OGS-5#IPhreeqc was investigated and compared with the modelling results obtained with OGS-5#ChemApp and Phreeqc.
+
+Very briefly, the studied system consists on a column of 0.5 m, initially containing crushed calcite (CaCO$_3$(s)), which is continuously fluxed with a 1 millimolar (mmol/L) magnesium chloride (MgCl$_2$) solution at pH = 7 and 25°C during 350 min (~ 5.8h) at a constant flow rate of 0.18 L (or a Darcy velocity (q) of $3\times10^{-6}$ m/s, considering a cross-sectional area of 1 m$^2$).
+
+Previously, the column had been packed giving a mean bulk density and porosity of 1.80 kg/L and 0.32, respectively. Additionally, the column was saturated and equilibrated by injecting pure water giving a saturated solution with respect calcite and pH = 9.9.
+
+## Numerical approach
+
+Reactive component$^{(*)}$ transport processes in saturated porous media illustrated in this benchmark have been possible by integrating IPhreeqc v.3.5.0 module (Parkhurst and Appelo,2013) in OGS-6. The operator-splitting (OS) model formulation (Strang, 1968) with a sequential non-iterative approach (SNIA) has been used for the implementation.
+
+In a first step, the mass balance equation describing the component transport within the fluid is solved by a parabolic operator (see ../hydro-component/HC-Process.pdf). Then, in a second step, the nonlinear algebraic equations describing the equilibrium chemical reactions between the aqueous components and the solid (i.e. mass action law) are solved with a modified Newton-Raphson method implemented in IPhreeqc.
+
+($^*$*Note: component denotes a chemical species that belongs to the minimum number of independent chemical species necessary to completely describe their mass*).
+
+In this way, a conservative mass transport equation for component $i$ is solved
+$$
+\begin{equation}
+\frac{\partial C_i}{\partial t} = - \nabla\left(v C_i\right) + \nabla\left(D_i \nabla C_i \right) + Q_i,
+\end{equation}
+$$
+$$
+\begin{equation}
+\frac{\partial S C_i}{\partial t} = \Gamma_i \left(C_i ... C_m\right),
+\end{equation}
+$$
+with $C_i$ (mol m$^{-3}$) standing for the molar concentration of component $i$, $v$ (m s$^{-1}$) for the pore velocity in the fluid phase, $D_h$ (m$^2$ s$^{-1}$) for the dispersion tensor of component $i$, $Q_i$ (mol m$^{-3}$ s$^{-1}$) for a source/sink term, and $\Gamma_i$ (C$_1$ ...C$_m$) (mol m$^{-3}$ s$^{-1}$) being a source/sink term for component $i$ due to chemical reactions with $m$ other components. The Scheidegger dispersion tensor is implemented in two dimensions as
+$$
+\begin{equation}
+D_{kl} = \alpha_T |v| \delta_{kl} + \left( \alpha_L - \alpha_T \right) \frac{v_k v_l}{|v|} + D_e,
+\end{equation}
+$$
+where $\alpha_L$ (m) and $\alpha_T$ (m) are the longitudinal and transversal dispersion length, respectively. $\delta_{kl}$ (–) is the Kronecker symbol, $v_{k,l}$ (m s$^{-1}$) is the fluid pore velocity in direction $k$,$l$, and $D_e$ (m$^2$ s$^{-1}$) is the molecular diffusion coefficient.
## Model setup
-The operator-splitting (OS) model formulation (Strang, 1968) with a sequential non-iterative approach (SNIA) has been used to implement the reactive component transport processes in saturated porous media illustrated in this benchmark. In a ï¬rst step, the mass balance equations describing each component transport present in the fluid is solved according to
+A one-dimensional (1D) model domain of 0.5 m discretized into 100 uniform elements has been selected for the spatial discretization of the system. Dirichlet (constant concentration) and Neumannn (no flux) boundary condition are defined for the upstream inflow and the downstream, respectively. A longitudinal dispersivity of 0.0067 m and a time step size of 100 s have been taken into account in the simulation. See Figure below:
+
+{{< img src="../calcite-Figures/Scheme.png" title="Schematic representation of the model setup and parameters.">}}
+Thermodynamic data for hydrolysis, aqueous speciation, and dissolution/precipitation reactions between Mg, Ca, Cl, and carbonate were selected from version 12/07 of the PSI/NAGRA chemical thermodynamic database (Thoenen *et al.* 2014). Although several other minerals containing Mg and Ca were available in the PSI/NAGRA database (*i.e.* magnesite), only two solids were allowed to precipitate or dissolve in the studied system (calcite and dolomite (CaMg(CO$_3$)$_2$)).
-### Model results
+## Model results
+
+A comparison of the results obtained with OGS-6#IPhreeqc and OGS-5#IPhreeqc at the end of the simulation is shown in the Figures below.
+
+At the simulated time, it can be clearly seen that the MgCl$_2$ solution front has penetrated ~0.3m of the column resulting in the dissolution of calcite and dolomite precipitation. Total aqueous concentration and solid profiles obtained of OGS-6 are in good agreement with those of OGS-5. The absolute error in terms of component concentrations is $2.15\times10^{-5}$ (Cl), $1.13\times10^{-5}$ (Mg), and $4.57\times10^{-6}$ (Ca). Additionally, pH profiles calculated with both codes are in good agreement.
+
+{{< img src="../calcite-Figures/ResultComparison.png" title="Total aqueous concentration and solid profiles obtained with OGS-6#IPhreeqc (empty triangle symbol) and OGS-5#IPhreeqc (empty circle symbol) at 350 min. (C(4) = total carbonate)">}}
+
+{{< img src="../calcite-Figures/ResultComparisonPH.png" title="pH value profiles obtained with OGS-6#IPhreeqc (empty triangle symbol) and OGS-5#IPhreeqc (empty circle symbol) at 350 min.">}}
-A comparison of the numerical data is shown in the figure below. The numerical results of OGS-6 are in good agreement with those of OGS-5. The maximum number of absolute error in terms of varying element concentrations is $2.15\times10^{-5}$ ($\mathrm{Cl}$), $1.13\times10^{-5}$ ($\mathrm{Mg}$), and $4.57\times10^{-6}$ ($\mathrm{Ca}$).
-{{< img src="../ResultComparison.png" width="80" title="Results for numerical (OGS-5 - with empty citrcle marker, OGS-6 - with empty triangle marker) results together with concentration distribution in the domain and mesh resolution for different time steps.">}}
{{< data-link >}}
@@ -40,8 +78,10 @@ A comparison of the numerical data is shown in the figure below. The numerical r
He, W., Beyer, C., Fleckenstein, J.H., Jang, E., Kolditz, O., Naumov, D., Kalbacher, T., 2015. A parallelization scheme to simulate reactive transport in the subsurface environment with OGS#IPhreeqc 5.5.7-3.1.2. Geosci. Model Dev. 8 (10), 3333 - 3348
-Hummel,W., Berner, U., Curti, E., Thoenen, T., Pearson, F.J., 2002. Nagra/PSI Chemical Thermodynamic Data Base Version 01/01 (Nagra/PSI TDB 01/01) NAPSI_290502.DAT. NAGRA Technical Report 02-16, Wettingen, Switzerland.
-
Jang, E., Boog, J., He, W., Kalbacher, T., 2018. OpenGeoSys Tutorial. Computational hydrology III: OGS#IPhreeqc coupled reactive transport modeling SpringerBriefs in Earth System Sciences. Springer International Publishing, Cham, 103 pp.
Kolditz, O., Görke, U.-J., Shao, H., Wang, W., 2012. Thermo-Hydro-Mechanical-Chemical Processes in Porous Media: Benchmarks and Examples, Lecture notes in computational science and engineering. Springer. ISBN: 3642271766.
+
+Parkhurst, D.L., Appelo, C.A.J., 2013. Description of Input and Examples for PHREEQC Version 3 - a Computer Program for Speciation, Batch-reaction, One-dimensional Transport, and Inverse Geochemical Calculations.
+
+Thoenen, T., Hummel,W., Berner, U., Curti, E., 2014. The PSI/Nagra Chemical Thermodynamic Data Base 12/07. PSI Report 14-04, Villigen, Switzerland.