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 @@
version https://git-lfs.github.com/spec/v1
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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 @@
version https://git-lfs.github.com/spec/v1
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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 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 @@
version https://git-lfs.github.com/spec/v1
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+size 10764