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sit.dat
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SOLUTION_SPECIES
# PHREEQC database
# Thermodynamic database ANDRA - NWS - ONDRAF THERMO_CHIMIE (www.thermochimie-tdb.com)
# Version 12a
# Name : ThermoChimie project
# Database date: 22/08/2023 0:00:00
# Generated by XCheck Tool v5.2.0
# Comment: tidied with lsp.exe from https://phreeplot.org/lsp/lsp.html
# Redox states modified by David Parkhurst May 18, 2024
# GFW of S(6) and Si modified by David Parkhurst May 18, 2024
SOLUTION_MASTER_SPECIES
#element species alk gfw_formula element_gfw
E e- 1 0 0
# DLP: Set Alkalinity to 1 to account for non-master species with e- in equations
Alkalinity CO3-2 1 Ca0.5(CO3)0.5 50.0436
Adipate Adipate-2 1 Adipate 144.0700
Acetate Acetate- 1 Acetate 59.0100
Ag Ag+ -2 Ag 107.8682
Al Al+3 0 Al 26.9815
Am Am+3 0 Am 243.0000
Am(+3) Am+3 0 Am 243.0000
Am(+2) Am+2 0 Am 243.0000
Am(+4) Am+4 0 Am 243.0000
Am(+5) AmO2+ 0 Am 243.0000
Am(+6) AmO2+2 0 Am 243.0000
As AsO4-3 2 As 74.9216
As(+5) AsO4-3 2 As 74.9216
As(+3) H3(AsO3) 0 As 74.9216
B B(OH)4- 1 B 10.8110
Ba Ba+2 0 Ba 137.3270
Be Be+2 0 Be 9.0122
Br Br- 0 Br 79.9040
C CO3-2 2 C 12.0110
C(2) CO 0 C # DLP
C(+4) CO3-2 2 C 12.0110
C(-4) CH4 0 C 12.0110
Ca Ca+2 0 Ca 40.0780
Cd Cd+2 -1 Cd 112.4110
Cit Cit-3 1 Cit 189.1013
Cl Cl- 0 Cl 35.4527
Cl(-1) Cl- 0 Cl # DLP
Cl(0) Cl2 0 Cl # DLP
Cl(7) ClO4- 0 Cl # DLP
Cm Cm+3 0 Cm 247.0000
Co Co+2 0 Co 58.9332
Cr CrO4-2 1 Cr 51.9961
Cr(+6) CrO4-2 1 Cr 51.9961
Cr(+2) Cr+2 -1 Cr 51.9961
Cr(+3) Cr+3 2 Cr 51.9961
Cs Cs+ 0 Cs 132.9054
Cu Cu+2 0 Cu 63.5460
Cu(+2) Cu+2 0 Cu 63.5460
Cu(+1) Cu+ -2 Cu 63.5460
Edta Edta-4 2 Edta 288.2134
Eu Eu+3 0 Eu 151.9650
Eu(+3) Eu+3 0 Eu 151.9650
Eu(+2) Eu+2 0 Eu 151.9650
F F- 0 F 18.9984
Fe Fe+2 0 Fe 55.8470
Fe(+2) Fe+2 0 Fe 55.8470
Fe(+3) Fe+3 -2 Fe 55.8470
Glu HGlu- 0 Glu 194.1380
H H+ -1 H 1.0079
H(+1) H+ -1 H 1.0079
H(0) H2 0 H 1.0079
Hf Hf+4 -4 Hf 178.4900
Hg Hg+2 -2 Hg 200.5900
Hg(+2) Hg+2 -2 Hg 200.5900
Hg(+1) Hg2+2 0 Hg 200.5900
Ho Ho+3 0 Ho 164.9303
I I- 0 I 126.9045
I(-1) I- 0 I 126.9045
I(1) IO- 0 I # DLP
I(+5) IO3- 0 I 126.9045
I(7) IO4- 0 I # DLP
Isa HIsa- 0 Isa 178.1421
K K+ 0 K 39.0983
Li Li+ 0 Li 6.9410
Malonate Malonate-2 1 Malonate 102.0464
Mg Mg+2 0 Mg 24.3050
Mn Mn+2 0 Mn 54.9380
Mn(+2) Mn+2 0 Mn # DLP
Mn(+3) Mn+3 0 Mn # DLP
Mn(+5) MnO4-3 0 Mn # DLP
Mn(+6) MnO4-2 0 Mn # DLP
Mn(+7) MnO4- 0 Mn # DLP
Mo MoO4-2 0 Mo 95.9400
Mo(6) MoO4-2 0 Mo # DLP
Mo(3) Mo+3 0 Mo # DLP
N NO3- 0 N 14.0067
N(+5) NO3- 0 N 14.0067
N(-3) NH3 1 N 14.0067
Na Na+ 0 Na 22.9898
Nb Nb(OH)6- 1 Nb 92.9064
Ni Ni+2 0 Ni 58.6900
Np NpO2+2 0 Np 237.0480
Np(+6) NpO2+2 0 Np 237.0480
Np(+3) Np+3 0 Np 237.0480
Np(+4) Np+4 -3 Np 237.0480
Np(+5) NpO2+ 0 Np 237.0480
Nta Nta-3 1 Nta 188.1165
O H2O 0 O 15.9994
O(-2) H2O 0 O 15.9994
O(0) O2 0 O 15.9994
Ox Ox-2 0 Ox 88.0196
P H2(PO4)- 0 P 30.9738
Pa Pa+4 -3 Pa 231.0359
Pa(+4) Pa+4 -3 Pa 231.0359
Pa(+5) PaO2+ 0 Pa 231.0359
Pb Pb+2 -1 Pb 207.2000
Pd Pd+2 -4 Pd 106.4200
Phthalat Phthalat-2 2 Phthalat 164.0840
Pu PuO2+2 0 Pu 244.0000
Pu(+6) PuO2+2 0 Pu 244.0000
Pu(+3) Pu+3 0 Pu 244.0000
Pu(+4) Pu+4 -3 Pu 244.0000
Pu(+5) PuO2+ -1 Pu 244.0000
Pyrophos Pyrophos-4 2 Pyrophos 173.9500
Ra Ra+2 0 Ra 226.0250
Rb Rb+ 0 Rb 85.4678
S SO4-2 0 S 32.0660
S(+6) SO4-2 0 SO4 32.0660 # DLP
S(-2) HS- 1 S 32.0660
S(+2) S2O3-2 0 S 32.0660
S(+3) S2O4-2 0 S 32.0660
S(+4) SO3-2 1 S 32.0660
S(8) HSO5- 0 S # DLP
Sb Sb(OH)3 0 Sb 121.7600
Sb(+3) Sb(OH)3 0 Sb 121.7600
Sb(+5) Sb(OH)5 -6 Sb 121.7600
Se SeO4-2 0 Se 78.9600
Se(+6) SeO4-2 0 Se 78.9600
Se(-2) HSe- -1 Se 78.9600
Se(+4) SeO3-2 1 Se 78.9600
Si H4(SiO4) 0 SiO2 28.0855 # DLP
Sm Sm+3 0 Sm 150.3600
Sn Sn+2 -2 Sn 118.7100
Sn(+2) Sn+2 -2 Sn 118.7100
Sn(+4) Sn+4 -4 Sn 118.7100
Sr Sr+2 0 Sr 87.6200
Succinat Succinat-2 1 Succinat 116.0700
Suberate Suberate-2 1 Suberate 172.1804
Tc TcO(OH)2 0 Tc 98.0000
Tc(+4) TcO(OH)2 0 Tc 98.0000
Tc(+7) TcO4- 0 Tc 98.0000
Tc(+6) TcO4-2 0 Tc 98.0000
Th Th+4 0 Th 232.0381
U UO2+2 0 U 238.0289
U(+6) UO2+2 0 U 238.0289
U(+3) U+3 0 U 238.0289
U(+4) U+4 -3 U 238.0289
U(+5) UO2+ 0 U 238.0289
Zn Zn+2 0 Zn 65.3900
Zr Zr+4 -4 Zr 91.2200
SIT
-epsilon
(NpO2)2(OH)2+2 Cl- -0.248
(NpO2)2(OH)2+2 ClO4- 0.570
(NpO2)2CO3(OH)3- Na+ 0.000
(NpO2)3(CO3)6-6 Na+ -0.460
(NpO2)3(OH)5+ Cl- -0.226
(NpO2)3(OH)5+ ClO4- 0.450
(PuO2)2(OH)2+2 Cl- -0.248
(PuO2)3(CO3)6-6 Na+ -0.460
(UO2)2(Cit)(OH)2- Na+ 0.600
(UO2)2(Cit)2(OH)2-4 Na+ 0.560
(UO2)2(Cit)2(OH)-3 Na+ 0.700
(UO2)2(Cit)2-2 Na+ -0.110
(UO2)2(CO3)(OH)3- Na+ 0.000
(UO2)2(NpO2)(CO3)6-6 Na+ 0.090
(UO2)2(OH)2+2 Cl- 0.690
(UO2)2(OH)2+2 ClO4- 0.570
(UO2)2(OH)2+2 NO3- 0.490
(UO2)3(CO3)6-6 Na+ 0.370
(UO2)3(OH)4+2 Cl- 0.500
(UO2)3(OH)4+2 ClO4- 0.890
(UO2)3(OH)4+2 NO3- 0.720
(UO2)3(OH)5+ Cl- 0.810
(UO2)3(OH)5+ ClO4- 0.450
(UO2)3(OH)5+ NO3- 0.410
Ag(SeO3)- Na+ -0.024
Ag+ Cl- 0.031
Al(OH)+2 Cl- 0.090
Al(OH)2+ Cl- 0.090
Al+3 Cl- 0.330
Am(CO3)+ Cl- 0.210
Am(CO3)+ ClO4- 0.210
Am(CO3)2- Na+ 0.060
Am(CO3)3-3 Na+ 0.080
Am(CO3)5-6 Na+ -0.300
Am(Edta)- Na+ 0.010
Am(H2PO4)+2 Cl- 0.191
Am(H2PO4)+2 ClO4- 0.390
Am(NO3)+2 ClO4- 0.390
Am(OH)+2 Cl- -0.040
Am(OH)+2 ClO4- 0.390
Am(OH)2+ Cl- -0.290
Am(OH)2+ ClO4- 0.170
Am(Ox)+ ClO4- 0.080
Am(Ox)2- Na+ -0.210
Am(Ox)3-3 Na+ -0.230
Am(SO4)+ Cl- 0.157
Am(SO4)+ ClO4- 0.220
Am(SO4)2- Na+ -0.050
Am+3 Cl- 0.230
Am+3 ClO4- 0.490
AmCl+2 Cl- 0.191
AmCl+2 ClO4- 0.390
AmCl2+ Cl- 0.129
AmF+2 Cl- 0.191
AmF+2 ClO4- 0.390
AmF2+ Cl- 0.129
AmF2+ ClO4- 0.170
AmO2(CO3)- Na+ -0.180
AmO2(CO3)2-3 Na+ -0.330
AmO2(CO3)3-5 Na+ -0.530
AmO2+ Cl- 0.090
AmO2+2 Cl- 0.390
B(OH)4- Na+ -0.070
Ba+2 Cl- 0.070
Ba+2 ClO4- 0.150
Ba+2 NO3- -0.280
Be(OH)+ ClO4- 0.220
Be(OH)3- Na+ 0.020
Be(OH)4-2 Na+ 0.030
Be+2 Cl- 0.100
Be+2 ClO4- 0.300
Be+2 NO3- 0.160
Be2(OH)+3 Cl- 0.300
Be2(OH)+3 ClO4- 0.500
Be2(OH)+3 NO3- 0.270
Be3(OH)(CO3)+3 ClO4- 0.510
Be3(OH)3+3 Cl- 0.300
Be3(OH)3+3 ClO4- 0.510
Be3(OH)3+3 NO3- 0.290
Be5(OH)4(CO3)+4 ClO4- 0.800
Be5(OH)6+4 ClO4- 0.800
Be6(OH)5(CO3)2+3 Cl- 0.510
Be6(OH)8+4 ClO4- 0.600
Be6(OH)8+4 NO3- 0.600
BeCl+ Cl- 0.090
Br- Na+ 0.050
Ca(Am(OH)3)+2 Cl- 0.050
Ca(Cm(OH)3)+2 Cl- 0.050
Ca(NpO2(OH)2)+ Cl- -0.070
Ca+2 Cl- 0.140
Ca+2 ClO4- 0.270
Ca+2 NO3- 0.020
Ca2(Am(OH)4)+3 Cl- 0.290
Ca2(Cm(OH)4)+3 Cl- 0.290
Ca3(Am(OH)6)+3 Cl- 0.000
Ca3(Cm(OH)6)+3 Cl- 0.000
Ca3(NpO2(OH)5)+2 Cl- -0.200
Ca4Pu(OH)8+4 Cl- 0.120
Ca4Th(OH)8+4 Cl- -0.010
Ca4Th(OH)8+4 ClO4- 0.210
CaUO2(CO3)3-2 Na+ -0.020
Cd(HCO3)+ Cl- 0.200
Cd+2 Cl- 0.160
Cd+2 NO3- 0.090
CdCl+ Cl- 0.127
CdCl+ ClO4- 0.250
CdI+ Cl- 0.136
CdI+ ClO4- 0.270
Cit-3 Na+ -0.076
Cl- Na+ 0.030
Cm(CO3)+ Cl- 0.210
Cm(CO3)+ ClO4- 0.210
Cm(CO3)2- Na+ 0.060
Cm(CO3)3-3 Na+ 0.080
Cm(H2PO4)+2 Cl- 0.191
Cm(H2PO4)+2 ClO4- 0.390
Cm(NO3)+2 ClO4- 0.390
Cm(OH)+2 Cl- -0.040
Cm(OH)+2 ClO4- 0.390
Cm(OH)2+ Cl- -0.270
Cm(OH)2+ ClO4- 0.170
Cm(SO4)+ Cl- 0.157
Cm(SO4)+ ClO4- 0.220
Cm(SO4)2- Na+ -0.050
Cm+3 Cl- 0.230
Cm+3 ClO4- 0.490
CmCl+2 Cl- 0.191
CmCl+2 ClO4- 0.390
CmCl2+ Cl- 0.129
CmF+2 ClO4- 0.390
CmF2+ ClO4- 0.170
Co+2 Cl- 0.160
Co+2 ClO4- 0.340
Co+2 NO3- 0.140
CO3-2 Na+ -0.080
Cr+3 Cl- 0.300
Cr+3 NO3- 0.270
Cu(OH)+ ClO4- -0.130
Cu(OH)4-2 Na+ 0.190
Cu+ ClO4- 0.110
Cu+2 Cl- 0.080
Cu+2 ClO4- 0.320
Cu+2 NO3- 0.110
Cu2(OH)+3 ClO4- 0.470
Cu2(OH)2+2 ClO4- 0.330
CuCl+ ClO4- 0.310
CuCl2- Na+ 0.070
CuCl3- Na+ 0.000
CuCl3-2 Na+ 0.140
CuCl4-2 Na+ -0.050
Edta-4 Na+ 0.320
Eu(CO3)+ Cl- 0.129
Eu(CO3)+ ClO4- 0.170
Eu(CO3)2- Na+ -0.140
Eu(CO3)3-3 Na+ -0.230
Eu(H2PO4)+2 Cl- 0.191
Eu(H2PO4)+2 ClO4- 0.390
Eu(NO3)+2 Cl- 0.191
Eu(NO3)+2 ClO4- 0.390
Eu(OH)+2 Cl- -0.040
Eu(OH)+2 ClO4- 0.390
Eu(OH)2+ Cl- -0.290
Eu(OH)2+ ClO4- 0.170
Eu(SO4)+ Cl- 0.157
Eu(SO4)+ ClO4- 0.220
Eu(SO4)2- Na+ -0.050
Eu+3 Cl- 0.230
Eu+3 ClO4- 0.490
EuCl+2 Cl- 0.191
EuCl+2 ClO4- 0.390
EuCl2+ Cl- 0.129
EuF+2 Cl- 0.191
EuF2+ Cl- 0.129
F- Na+ 0.020
Fe(OH)+2 Cl- 0.186
Fe(OH)+2 ClO4- 0.460
Fe(OH)2+ ClO4- 0.370
Fe+2 Cl- 0.170
Fe+2 ClO4- 0.370
Fe+3 Cl- 0.760
Fe+3 ClO4- 0.730
Fe+3 NO3- 0.420
Fe2(OH)2+4 ClO4- 1.040
FeCl+ Cl- 0.160
FeCl+2 Cl- 0.640
FeCl+2 ClO4- 0.630
FeCl2+ ClO4- 0.520
FeF+ ClO4- 0.340
H(Cit)-2 Na+ -0.040
H(Edta)-3 Na+ -0.100
H(Ox)- Na+ -0.070
H(SeO3)- Na+ 0.020
H(SeO4)- Na+ 0.000
H(SO4)- Na+ -0.010
H+ Cl- 0.120
H+ ClO4- 0.140
H+ NO3- 0.070
H2(Cit)- Na+ -0.050
H2(Edta)-2 Na+ -0.370
H2(PO4)- Na+ -0.080
H2(SiO4)-2 Na+ -0.100
H3(Edta)- Na+ -0.330
H3(SiO4)- Na+ -0.080
H5(Edta)+ Cl- -0.230
H5(Edta)+ ClO4- -0.230
H5(Edta)+ NO3- -0.230
H6(Edta)+2 Cl- -0.200
H6(Edta)+2 ClO4- -0.200
H6(Edta)+2 NO3- -0.200
HCO3- Na+ 0.000
Hf(NO3)2+2 ClO4- 0.840
Hf(OH)+3 ClO4- 0.570
Hf+4 Cl- 0.890
Hf+4 ClO4- 0.890
Hf+4 NO3- 0.890
HfCl+3 ClO4- 0.870
HfCl2+2 ClO4- 0.840
HfF+3 ClO4- 0.630
HfF2+2 ClO4- 0.470
HfNO3+3 ClO4- 0.910
Hg(OH)+ ClO4- 0.060
Hg+2 ClO4- 0.340
Hg+2 NO3- -0.100
Hg2+2 ClO4- 0.090
Hg2+2 NO3- -0.200
HgCl+ ClO4- 0.190
HgCl3- Na+ 0.050
HgCl4-2 Na+ 0.080
HGlu- Na+ -0.070
HIsa- Na+ -0.070
HMoO4- Na+ -0.099
Ho(CO3)+ Cl- 0.129
Ho(CO3)+ ClO4- 0.170
Ho(CO3)2- Na+ -0.140
Ho(CO3)3-3 Na+ -0.230
Ho(H2PO4)+2 Cl- 0.191
Ho(H2PO4)+2 ClO4- 0.390
Ho(NO3)+2 Cl- 0.191
Ho(NO3)+2 ClO4- 0.390
Ho(OH)+2 Cl- -0.040
Ho(OH)+2 ClO4- 0.390
Ho(OH)2+ Cl- -0.290
Ho(OH)2+ ClO4- 0.170
Ho(SO4)+ Cl- 0.157
Ho(SO4)+ ClO4- 0.220
Ho(SO4)2- Na+ -0.050
Ho+3 Cl- 0.230
Ho+3 ClO4- 0.490
HoCl+2 Cl- 0.191
HoCl+2 ClO4- 0.390
HoCl2+ Cl- 0.129
HoF+2 Cl- 0.191
HoF+2 ClO4- 0.390
HoF2+ Cl- 0.129
HoF2+ ClO4- 0.170
HPO4-2 Na+ -0.150
I- Na+ 0.080
IO3- Na+ -0.060
K+ Cl- 0.000
K+ NO3- -0.110
Li+ Cl- 0.100
Li+ ClO4- 0.150
Li+ NO3- 0.080
Mg(Cit)- Na+ 0.030
Mg(Edta)-2 Na+ -0.010
Mg(HEdta)- Na+ 0.110
Mg(Ox)2-2 Na+ -0.150
Mg+2 Cl- 0.190
Mg+2 ClO4- 0.330
Mg+2 NO3- 0.170
MgUO2(CO3)3-2 Na+ -0.020
Mn+2 Cl- 0.130
Mo7O21(OH)3-3 Na+ -1.455
Mo7O22(OH)2-4 Na+ -1.346
Mo7O23(OH)-5 Na+ -1.145
Mo7O24-6 Na+ -1.265
MoO4-2 Na+ 0.034
Na+ ClO4- 0.010
NH4+ Cl- -0.010
NH4+ ClO4- -0.080
NH4+ NO3- -0.060
Ni(Cit)- Na+ 0.220
Ni(CO3)2-2 Na+ 0.003
Ni(HCO3)+ Cl- 0.085
Ni(NO3)+ Cl- 0.060
Ni(NO3)+ ClO4- 0.440
Ni(OH)+ Cl- -0.010
Ni(OH)+ ClO4- 0.140
Ni(SO4)2-2 Na+ -0.263
Ni+2 Cl- 0.170
Ni+2 ClO4- 0.370
Ni+2 NO3- 0.182
Ni4(OH)4+4 ClO4- 1.080
NiCl+ Cl- 0.100
NiCl+ ClO4- 0.470
NiF+ Cl- 0.065
NiF+ ClO4- 0.340
NiHS+ ClO4- -0.850
NO3- Na+ -0.040
Np(CO3)+ Cl- 0.129
Np(CO3)+ ClO4- 0.170
Np(CO3)2- Na+ -0.140
Np(CO3)3-3 Na+ -0.230
Np(CO3)4-4 Na+ -0.090
Np(CO3)5-6 Na+ 0.000
Np(NO3)+3 ClO4- 0.710
Np(OH)+2 Cl- -0.040
Np(OH)+2 ClO4- 0.390
Np(OH)+3 Cl- 0.200
Np(OH)+3 ClO4- 0.500
Np(OH)2+ Cl- -0.290
Np(OH)2+ ClO4- 0.170
Np(OH)2+2 Cl- 0.100
Np(OH)3+ Cl- 0.050
Np(SO4)+ Cl- 0.157
Np(SO4)+ ClO4- 0.220
Np(SO4)+2 Cl- 0.232
Np(SO4)+2 ClO4- 0.480
Np(SO4)2- Na+ -0.050
Np+3 Cl- 0.230
Np+3 ClO4- 0.490
Np+4 Cl- 0.400
Np+4 ClO4- 0.840
NpCl+3 ClO4- 0.810
NpF+3 ClO4- 0.580
NpF2+2 Cl- 0.186
NpF2+2 ClO4- 0.380
NpF3+ Cl- 0.100
NpI+3 ClO4- 0.770
NpO2(Cit)-2 Na+ -0.060
NpO2(CO3)- Na+ -0.180
NpO2(CO3)2-2 Na+ -0.020
NpO2(CO3)2-3 Na+ -0.330
NpO2(CO3)2OH-4 Na+ -0.400
NpO2(CO3)3-4 Na+ -0.400
NpO2(CO3)3-5 Na+ -0.530
NpO2(Edta)-3 Na+ 0.200
NpO2(HEdta)-2 Na+ 0.070
NpO2(HPO4)- Na+ -0.050
NpO2(HPO4)2-2 Na+ -0.100
NpO2(NO3)+ Cl- 0.220
NpO2(NO3)+ ClO4- 0.330
NpO2(OH)+ Cl- -0.003
NpO2(OH)+ ClO4- -0.060
NpO2(OH)2- Na+ -0.010
NpO2(OH)3- Na+ -0.200
NpO2(OH)4-2 Na+ -0.120
NpO2(Ox)- Na+ -0.400
NpO2(Ox)2-3 Na+ -0.300
NpO2(SO4)- Na+ 0.070
NpO2(SO4)2-2 Na+ -0.120
NpO2+ Cl- 0.090
NpO2+ ClO4- 0.250
NpO2+2 Cl- 0.223
NpO2+2 ClO4- 0.460
NpO2Cl+ Cl- 0.318
NpO2Cl+ ClO4- 0.500
NpO2F+ Cl- 0.197
NpO2F+ ClO4- 0.290
OH- Na+ 0.040
Ox-2 Na+ -0.080
Pa+4 Cl- 0.300
PaO(OH)+2 Cl- 0.130
Pb(OH)3- Na+ 0.020
Pb(SO4)2-2 Na+ -0.520
Pb+2 Cl- 0.081
Pb+2 ClO4- 0.150
Pb+2 NO3- -0.200
PbF+ Cl- 0.140
Pd(OH)3- Na+ 0.110
Pd(SO4)2-2 Na+ -0.120
Pd+2 Cl- 0.160
Pd+2 ClO4- 0.220
PdBr+ Cl- 0.175
PdBr3- Na+ 0.000
PdBr4-2 Na+ 0.100
PdCl+ Cl- 0.175
PdCl+ ClO4- 0.250
PdCl3- Na+ 0.030
PdCl3(OH)-2 Na+ -0.044
PdCl4-2 Na+ -0.044
PO4-3 Na+ -0.250
Pu(CO3)+ Cl- 0.129
Pu(CO3)+ ClO4- 0.170
Pu(CO3)2- Na+ -0.140
Pu(CO3)3-3 Na+ -0.230
Pu(CO3)4-4 Na+ -0.090
Pu(CO3)5-6 Na+ 0.000
Pu(NO3)+2 Cl- 0.191
Pu(NO3)+2 ClO4- 0.390
Pu(NO3)+3 ClO4- 0.590
Pu(OH)+2 Cl- -0.040
Pu(OH)+2 ClO4- 0.390
Pu(OH)+3 Cl- 0.200
Pu(OH)+3 ClO4- 0.500
Pu(OH)2+ Cl- -0.290
Pu(OH)2+ ClO4- 0.170
Pu(OH)2+2 Cl- 0.100
Pu(OH)3+ Cl- 0.050
Pu(SO4)+ Cl- 0.157
Pu(SO4)+ ClO4- 0.220
Pu(SO4)+2 Cl- 0.232
Pu(SO4)+2 ClO4- 0.360
Pu(SO4)2- Na+ -0.050
Pu+3 Cl- 0.230
Pu+3 ClO4- 0.490
Pu+4 ClO4- 0.820
PuBr+3 Cl- 0.100
PuBr+3 ClO4- 0.580
PuCl+3 Cl- 0.100
PuCl+3 ClO4- 0.850
PuF+3 Cl- 0.100
PuF+3 ClO4- 0.560
PuF2+2 Cl- 0.177
PuF2+2 ClO4- 0.360
PuF3+ Cl- 0.100
PuI+2 Cl- 0.191
PuI+2 ClO4- 0.390
PuI+3 Cl- 0.100
PuO2(CO3)- Na+ -0.180
PuO2(CO3)2-2 Na+ -0.700
PuO2(CO3)3-4 Na+ -0.200
PuO2(CO3)3-5 Na+ -0.530
PuO2(OH)+ Cl- -0.003
PuO2(SO4)- Na+ -0.070
PuO2(SO4)2-2 Na+ -0.120
PuO2+ Cl- 0.129
PuO2+ ClO4- 0.240
PuO2+2 Cl- 0.223
PuO2+2 ClO4- 0.460
PuO2Cl+ Cl- 0.318
PuO2Cl+ ClO4- 0.500
PuO2F+ Cl- 0.197
PuO2F+ ClO4- 0.290
PuO2F3- Na+ 0.000
PuO2NO3+ Cl- 0.220
PuO2NO3+ ClO4- 0.330
SeO3-2 Na+ -0.080
SeO4-2 Na+ -0.120
Si2O2(OH)5- Na+ -0.080
Si2O3(OH)4-2 Na+ -0.150
Si3O5(OH)5-3 Na+ -0.250
Si3O6(OH)3-3 Na+ -0.250
Si4O8(OH)4-4 Na+ -0.260
Sm(CO3)+ Cl- 0.129
Sm(CO3)+ ClO4- 0.170
Sm(CO3)2- Na+ -0.140
Sm(CO3)3-3 Na+ -0.230
Sm(H2PO4)+2 Cl- 0.191
Sm(H2PO4)+2 ClO4- 0.390
Sm(NO3)+2 Cl- 0.191
Sm(NO3)+2 ClO4- 0.390
Sm(OH)+2 Cl- -0.040
Sm(OH)+2 ClO4- 0.390
Sm(OH)2+ Cl- -0.290
Sm(OH)2+ ClO4- 0.170
Sm(SO4)+ Cl- 0.157
Sm(SO4)+ ClO4- 0.220
Sm(SO4)2- Na+ -0.050
Sm+3 Cl- 0.230
Sm+3 ClO4- 0.490
SmCl+2 Cl- 0.191
SmCl+2 ClO4- 0.390
SmF+2 Cl- 0.191
SmF+2 ClO4- 0.390
Sn(OH)+ ClO4- -0.070
Sn(OH)3- Na+ 0.220
Sn+2 Cl- 0.140
Sn+2 ClO4- 0.190
Sn+4 ClO4- 0.700
Sn3(OH)4+2 ClO4- -0.020
SnBr+ ClO4- 0.150
SnBr3- Na+ 0.160
SnCl+ ClO4- 0.080
SnCl3- Na+ 0.040
SnF+ ClO4- 0.140
SO3-2 Na+ -0.080
SO4-2 Na+ -0.120
Tc2O2(OH)2+2 Cl- -0.430
TcO(OH)3- Na+ -0.080
Th(CO3)5-6 Na+ -0.300
Th(H2PO4)+3 ClO4- 0.500
Th(H2PO4)2+2 ClO4- 0.400
Th(H3PO4)(H2PO4)+3 ClO4- 0.500
Th(H3PO4)+4 ClO4- 0.700
Th(NO3)+3 ClO4- 0.560
Th(NO3)+3 NO3- 0.560
Th(NO3)2+2 ClO4- 0.430
Th(NO3)2+2 NO3- 0.430
Th(OH)(CO3)4-5 Na+ -0.220
Th(OH)+3 Cl- 0.190
Th(OH)+3 ClO4- 0.480
Th(OH)+3 NO3- 0.200
Th(OH)2(CO3)2-2 Na+ -0.100
Th(OH)2+2 Cl- 0.130
Th(OH)2+2 ClO4- 0.330
Th(OH)2+2 NO3- 0.100
Th(OH)3(CO3)- Na+ -0.050
Th(OH)3+ Cl- 0.060
Th(OH)3+ ClO4- 0.150
Th(OH)3+ NO3- 0.050
Th(OH)4(CO3)-2 Na+ -0.100
Th(SO4)+2 Cl- 0.140
Th(SO4)+2 ClO4- 0.300
Th(SO4)3-2 Na+ -0.091
Th+4 Cl- 0.250
Th+4 ClO4- 0.700
Th+4 NO3- 0.310
Th2(OH)2+6 Cl- 0.400
Th2(OH)2+6 ClO4- 1.220
Th2(OH)2+6 NO3- 0.690
Th2(OH)3+5 Cl- 0.290
Th2(OH)3+5 ClO4- 0.910
Th2(OH)3+5 NO3- 0.690
Th4(OH)12+4 Cl- 0.250
Th4(OH)12+4 ClO4- 0.560
Th4(OH)12+4 NO3- 0.420
Th4(OH)8+8 Cl- 0.700
Th4(OH)8+8 ClO4- 1.690
Th4(OH)8+8 NO3- 1.590
Th6(OH)14+10 Cl- 0.830
Th6(OH)14+10 ClO4- 2.200
Th6(OH)14+10 NO3- 2.900
Th6(OH)15+9 Cl- 0.720
Th6(OH)15+9 ClO4- 1.850
Th6(OH)15+9 NO3- 2.200
ThCl+3 Cl- 0.620
ThCl+3 ClO4- 0.620
ThF+3 ClO4- 0.480
ThF+3 NO3- 0.250
ThF2+2 ClO4- 0.300
ThF2+2 NO3- 0.150
ThF3+ ClO4- 0.100
ThF3+ NO3- 0.000
U(CO3)4-4 Na+ -0.090
U(CO3)5-6 Na+ -0.300
U(NO3)+3 ClO4- 0.620
U(NO3)2+2 Cl- 0.236
U(NO3)2+2 ClO4- 0.490
U(OH)+3 Cl- 0.200
U(OH)+3 ClO4- 0.480
U(OH)2+2 Cl- 0.100
U(OH)3+ Cl- 0.050
U(SO4)+2 Cl- 0.149
U(SO4)+2 ClO4- 0.300
U+3 Cl- 0.230
U+3 ClO4- 0.490
U+4 Cl- 0.360
U+4 ClO4- 0.760
UBr+3 ClO4- 0.520
UCl+3 Cl- 0.100
UCl+3 ClO4- 0.500
UF+3 Cl- 0.100
UF+3 ClO4- 0.480
UF2+2 Cl- 0.149
UF2+2 ClO4- 0.300
UF3+ Cl- 0.100
UF3+ ClO4- 0.100
UI+3 ClO4- 0.550
UI+3 NO3- 0.560
UO2(Cit)- Na+ -0.110
UO2(CO3)2-2 Na+ -0.020
UO2(CO3)3-4 Na+ -0.010
UO2(CO3)3-5 Na+ -0.620
UO2(NO3)+ Cl- 0.220
UO2(NO3)+ ClO4- 0.330
UO2(OH)+ Cl- -0.003
UO2(OH)+ ClO4- -0.060
UO2(OH)+ NO3- 0.510
UO2(OH)3- Na+ -0.240
UO2(OH)4-2 Na+ 0.010
UO2(Ox)2-2 Na+ -0.180
UO2(Ox)3-4 Na+ -0.010
UO2(SO4)2-2 Na+ -0.120
UO2+ Cl- 0.180
UO2+ ClO4- 0.260
UO2+2 Cl- 0.460
UO2+2 ClO4- 0.460
UO2+2 NO3- 0.460
UO2Br+ Cl- 0.169
UO2Br+ ClO4- 0.240
UO2Cl+ Cl- 0.220
UO2Cl+ ClO4- 0.330
UO2F+ Cl- 0.040
UO2F+ ClO4- 0.280
UO2F3- Na+ -0.140
UO2F4-2 Na+ -0.300
Zn+2 Cl- 0.163
Zn+2 ClO4- 0.330
Zn+2 NO3- 0.160
Zr(CO3)4-4 Na+ -0.090
Zr(NO3)2+2 ClO4- 0.840
Zr(OH)+3 ClO4- 0.570
Zr(OH)2+2 ClO4- 0.620
Zr(OH)6-2 Na+ -0.100
Zr+4 Cl- 0.890
Zr+4 ClO4- 0.890
Zr+4 NO3- 0.890
Zr4(OH)15+ ClO4- 0.090
ZrCl+3 ClO4- 0.870
ZrCl2+2 ClO4- 0.840
ZrF+3 ClO4- 0.630
ZrF2+2 ClO4- 0.470
ZrF5- Na+ -0.140
ZrF6-2 Na+ -0.150
ZrNO3+3 ClO4- 0.880
SOLUTION_SPECIES
Acetate- = Acetate-
log_k 0
# Enthalpy of formation: -486.010 kJ/mol 82WAG/EVA
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Adipate-2 = Adipate-2
log_k 0
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Ag+ = Ag+
log_k 0
# Enthalpy of formation: +105.790 kJ/mol 95SIL/BID
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Al+3 = Al+3
log_k 0
# Enthalpy of formation: -538.400 kJ/mol 95POK/HEL
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Am+3 = Am+3
log_k 0
# Enthalpy of formation: -616.700 kJ/mol 95SIL/BID
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
AsO4-3 = AsO4-3
log_k 0
# Enthalpy of formation: -888.140 kJ/mol 09RAN/FUG
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
B(OH)4- = B(OH)4-
log_k 0
# Enthalpy of formation: -1345.116 kJ/mol 99RAR/RAN
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Ba+2 = Ba+2
log_k 0
# Enthalpy of formation: -534.800 kJ/mol 95SIL/BID
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Be+2 = Be+2
log_k 0
# Enthalpy of formation: -382.800 kJ/mol 89COX/WAG
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Br- = Br-
log_k 0
# Enthalpy of formation: -121.410 kJ/mol 95SIL/BID
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Ca+2 = Ca+2
log_k 0
# Enthalpy of formation: -543.000 kJ/mol 89COX/WAG
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Cd+2 = Cd+2
log_k 0
# Enthalpy of formation: -75.920 kJ/mol 89COX/WAG
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Cit-3 = Cit-3
log_k 0
# Enthalpy of formation: -1519.920 kJ/mol 05HUM/AND
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Cl- = Cl-
log_k 0
# Enthalpy of formation: -167.080 kJ/mol 89COX/WAG
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Cm+3 = Cm+3
log_k 0
# Enthalpy of formation: -615.000 kJ/mol 01KON2
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Co+2 = Co+2
log_k 0
# Enthalpy of formation: -57.600 kJ/mol 98PLY/ZHA1
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
CO3-2 = CO3-2
log_k 0
# Enthalpy of formation: -675.230 kJ/mol 89COX/WAG
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
CrO4-2 = CrO4-2
log_k 0
# Enthalpy of formation: -879.000 kJ/mol
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Cs+ = Cs+
log_k 0
# Enthalpy of formation: -258.000 kJ/mol 95SIL/BID
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Cu+2 = Cu+2
log_k 0
# Enthalpy of formation: +64.900 kJ/mol 92GRE/FUG
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
e- = e-
log_k 0
# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Edta-4 = Edta-4
log_k 0
# Enthalpy of formation: -1704.800 kJ/mol 05HUM/AND
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Eu+3 = Eu+3
log_k 0
# Enthalpy of formation: -605.325 kJ/mol
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
F- = F-
log_k 0
# Enthalpy of formation: -335.350 kJ/mol 95SIL/BID
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Fe+2 = Fe+2
log_k 0
# Enthalpy of formation: -90.295 kJ/mol 13LEM/BER
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
H+ = H+
log_k 0
# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
H2(PO4)- = H2(PO4)-
log_k 0
# Enthalpy of formation: -1302.600 kJ/mol 89COX/WAG
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
H2O = H2O
log_k 0
# Enthalpy of formation: -285.830 kJ/mol 89COX/WAG
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
H4(SiO4) = H4(SiO4)
log_k 0
# Enthalpy of formation: -1461.194 kJ/mol
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Hf+4 = Hf+4
log_k 0
# Enthalpy of formation: -628.910 kJ/mol 99VAS/LYT
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Hg+2 = Hg+2
log_k 0
# Enthalpy of formation: +170.210 kJ/mol 89COX/WAG
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
HGlu- = HGlu-
log_k 0
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
HIsa- = HIsa-
log_k 0
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Ho+3 = Ho+3
log_k 0
# Enthalpy of formation: -707.042 kJ/mol
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
I- = I-
log_k 0
# Enthalpy of formation: -56.780 kJ/mol 92GRE/FUG
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
K+ = K+
log_k 0
# Enthalpy of formation: -252.140 kJ/mol 89COX/WAG
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Li+ = Li+
log_k 0
# Enthalpy of formation: -278.470 kJ/mol 92GRE/FUG
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Malonate-2 = Malonate-2
log_k 0
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Mg+2 = Mg+2
log_k 0
# Enthalpy of formation: -467.000 kJ/mol 89COX/WAG
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Mn+2 = Mn+2
log_k 0
# Enthalpy of formation: -220.800 kJ/mol 95ROB/HEM
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
MoO4-2 = MoO4-2
log_k 0
# Enthalpy of formation: -997.000 kJ/mol 74OHA
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Na+ = Na+
log_k 0
# Enthalpy of formation: -240.340 kJ/mol 92GRE/FUG (89COX/WAG)
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Nb(OH)6- = Nb(OH)6-
log_k 0
# Enthalpy of formation: -1925.658 kJ/mol
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Ni+2 = Ni+2
log_k 0
# Enthalpy of formation: -55.012 kJ/mol 05GAM/BUG
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
NO3- = NO3-
log_k 0
# Enthalpy of formation: -206.850 kJ/mol 92GRE/FUG
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
NpO2+2 = NpO2+2
log_k 0
# Enthalpy of formation: -860.733 kJ/mol 01LEM/FUG
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Nta-3 = Nta-3
log_k 0
-analytic 00E+0 00E+0 00E+0 00E+0 00E+0
Ox-2 = Ox-2