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# 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
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