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poet/data/mdl_quint_kin.dat

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SOLUTION_MASTER_SPECIES
O H2O 0.0 15.9994 15.9994
Al Al+3 0.0 26.9815 26.9815
Ba Ba+2 0.0 137.327 137.327
Br Br- 0.0 79.904 79.904
C HCO3- 0.0 12.011 12.011
Ca Ca+2 0.0 40.078 40.078
Cl Cl- 0.0 35.4527 35.4527
Cr Cr+3 0.0 51.9961 51.9961
Cs Cs+ 0.0 132.905 132.905
F F- 0.0 18.9984 18.9984
Fe Fe+2 0.0 55.847 55.847
H H+ 0.0 1.00794 1.00794
I I- 0.0 126.904 126.904
K K+ 0.0 39.0983 39.0983
Li Li+ 0.0 6.941 6.941
Mg Mg+2 0.0 24.305 24.305
Mn Mn+2 0.0 54.938 54.938
Mo MoO4-2 0.0 95.94 95.94
N NO3- 0.0 14.0067 14.0067
Na Na+ 0.0 22.9898 22.9898
P HPO4-2 0.0 30.9738 30.9738
S SO4-2 0.0 32.066 32.066
Si SiO2 0.0 28.0855 28.0855
Sr Sr+2 0.0 87.62 87.62
B B(OH)3 0.0 10.811 10.811
Co Co+2 0.0 58.9332 58.9332
Cu Cu+2 0.0 63.546 63.546
Ni Ni+2 0.0 58.6934 58.6934
Zn Zn+2 0.0 65.39 65.39
E e- 0.0 0 0
O(-2) H2O 0.0 0.0
H(1) H+ -1.0 0.0
O(0) O2 0.0 O
H(0) H2 0.0 H
SOLUTION_SPECIES
H2O = H2O
log_k 0.0
Al+3 = Al+3
log_k 0.0
Ba+2 = Ba+2
log_k 0.0
Br- = Br-
log_k 0.0
HCO3- = HCO3-
log_k 0.0
Ca+2 = Ca+2
log_k 0.0
Cl- = Cl-
log_k 0.0
Cr+3 = Cr+3
log_k 0.0
Cs+ = Cs+
log_k 0.0
F- = F-
log_k 0.0
Fe+2 = Fe+2
log_k 0.0
H+ = H+
log_k 0.0
I- = I-
log_k 0.0
K+ = K+
log_k 0.0
Li+ = Li+
log_k 0.0
Mg+2 = Mg+2
log_k 0.0
Mn+2 = Mn+2
log_k 0.0
MoO4-2 = MoO4-2
log_k 0.0
NO3- = NO3-
log_k 0.0
Na+ = Na+
log_k 0.0
HPO4-2 = HPO4-2
log_k 0.0
SO4-2 = SO4-2
log_k 0.0
SiO2 = SiO2
log_k 0.0
Sr+2 = Sr+2
log_k 0.0
B(OH)3 = B(OH)3
log_k 0.0
Co+2 = Co+2
log_k 0.0
Cu+2 = Cu+2
log_k 0.0
Ni+2 = Ni+2
log_k 0.0
Zn+2 = Zn+2
log_k 0.0
e- = e-
log_k 0.0
Cl- + 4 H2O = ClO4- + 8 e- + 8 H+
logk -187.717
-analytical 98.3626 0.00897085 -57720 -38.4526 -901.663
Cr+3 + 4 H2O = CrO4-- + 8 H+ + 3 e-
logk -74.218
-analytical 35.5542 -0.0286437 -26783.2 -4.61493 -420.12
Fe+2 = Fe+++ + e-
logk -13.011
-analytical -43.28 -0.0126166 -463.442 14.3792 -7.61902
2 e- + 2 H+ = H2
logk -3.1047
-analytical -44.4193 0.0008034 332.449 16.1517 5.85343
HPO4-2 + 2 e- + 2 H+ = HPO3-- + H2O
logk -7.0529
-analytical -44.9263 -0.000730404 -1740.87 17.7552 -26.6891
9 H+ + SO4-2 + 8 e- = HS- + 4 H2O
logk 33.6909
-analytical -20.9734 0.0282619 8351.27 7.37542 132.989
Mn+2 = Mn+++ + e-
logk -25.5088
-analytical -30.985 -0.0118433 -3758.26 8.73221 -59.0759
Mn+2 + 4 H2O = MnO4-- + 8 H+ + 4 e-
logk -118.345
-analytical 5.68483 -0.0404547 -36066.9 3.62834 -565.402
10 H+ + NO3- + 8 e- = NH4+ + 3 H2O
logk 119.149
-analytical -27.4421 0.0202152 35667 8.46459 558.747
NO3- + 2 e- + 2 H+ = NO2- + H2O
logk 27.7671
-analytical -18.8877 -0.000839634 8453.33 7.49673 132.138
SO4-2 + 2 e- + 2 H+ = SO3-- + H2O
logk -3.6224
-analytical -27.6927 -0.00236598 -285.739 10.4006 -4.10093
7 H+ + B(OH)3 + 8 e- = BH4- + 3 H2O
logk -65.0961
-analytical -190.98 -0.0367462 -15374.9 76.1353 -240.047
HPO4-2 = PO4-3 + H+
logk -12.3218
-analytical -59.3704 -0.0321228 -524.014 23.5855 -9.61634
2 H2O = O2 + 4 e- + 4 H+
logk -86.0039
-analytical 1.05677 0.00424712 -25007.3 -1.79339 -390.168
H2O = OH- + H+
logk -13.9951
-analytical -67.5047 -0.0306179 -1990.13 28.0036 -32.4111
HCO3- = CO3-2 + H+
logk -10.3288
-analytical -69.9531 -0.0335248 -70.9884 28.2225 -2.60731
Al+3 + 2 H2O = AlO2- + 4 H+
logk -22.879
Al+3 + H2O = AlOH+2 + H+
logk -4.957
Al+3 + H2O = AlO+ + 2 H+
logk -10.594
Al+3 + 2 H2O = HAlO2 + 3 H+
logk -16.432
Al+3 + F- = AlF+2
logk 7
Al+3 + 2 F- = AlF2+
logk 12.6
Al+3 + 3 F- = AlF3
logk 16.7
Al+3 + 4 F- = AlF4-
logk 19.4
H2O + B(OH)3 = B(OH)4- + H+
logk -9.239
3 B(OH)3 = B3O3(OH)4- + 2 H2O + H+
logk -7.6188
4 B(OH)3 = B4O5(OH)4-2 + 3 H2O + 2 H+
logk -16.2554
Ca+2 + B(OH)3 + H2O = CaB(OH)4+ + H+
logk -7.5886
Ca+2 + HCO3- = CaCO3 + H+
logk -7.0017
-analytical 236.013 0.0560188 -8711.9 -93.1438 -134.632
Ca+2 + H2O = CaOH+ + H+
logk -12.8333
-analytical 57.5113 0.0114734 -5866.96 -21.8569 -91.3547
Ca+2 + SO4-2 = CaSO4
logk 1.6503
-analytical 559.886 0.138712 -17440.1 -218.656 -279.955
Ca+2 + Cl- = CaCl+
logk -0.7659
-analytical -12.4607 0.020884 1632.89 -0.00354466 26.5103
Ca+2 + 2 Cl- = CaCl2
logk -16.4677
-analytical 42.4008 -0.0281976 -15074.2 0.040552 -244.698
H+ + HCO3- = CO2 + H2O
logk 6.3447
-analytical -10.5326 0.0217452 2521.59 0.791018 40.7333
2 CrO4-2 + 2 H+ = Cr2O7-2 + H2O
logk 14.7024
-analytical 153.121 0.0684345 -1593.19 -62.0073 -21.8141
Cl- + Fe+2 = FeCl+
logk -0.1605
-analytical 81.4828 0.0375106 -1449.35 -35.5403 -21.0568
Fe+2 + HCO3- = FeHCO3+
logk 1.47
Fe+2 + HCO3- = FeCO3 + H+
logk -4.8788
Fe+2 + 2 CO3-2 = Fe(CO3)2-2
logk 7.16
Fe+2 + H2O = FeOH+ + H+
logk -9.51
Fe+2 + 2 H2O = Fe(OH)2 + 2 H+
logk -20.61
Fe+3 + H2O = FeOH+2 + H+
logk -2.1
Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+
logk -6.3
Fe+3 + 3 H2O = Fe(OH)3 + 3 H+
logk -14.3
Fe+3 + 4 H2O = Fe(OH)4- + 4 H+
logk -22.3
Fe+3 + SO4-2 = FeSO4+
logk 4.27
Fe+3 + 2 SO4-2 = Fe(SO4)2-
logk 6.11
Cl- + Fe+3 = FeCl+2
logk 1.28
2 Cl- + Fe+3 = FeCl2+
logk 1.16
F- + Fe+2 = FeF+
logk 1.4272
-analytical 93.8061 0.0389135 -1761.64 -39.6238 -25.8207
F- + Fe+3 = FeF+2
logk 6.03
Fe+3 + 2 F- = FeF2+
logk 10.66
H+ + SO4-2 = HSO4-
logk 1.9791
-analytical 49.615 0.0303676 -1155.72 -21.3332 -16.3809
H2O + SiO2 = HSiO3- + H+
logk -9.8419
-analytical -105.911 -0.0389391 639.77 42.6507 9.89524
H+ + HPO4-2 = H2PO4-
logk 7.2054
-analytical 82.1441 0.0340763 -1042.97 -32.9686 -14.8494
HPO4-2 + 2 H+ = H3PO4
logk 9.3751
-analytical 183.79 0.0673192 -3778.88 -73.4595 -56.2133
HCO3- + Mg+2 = MgCO3 + H+
logk -7.3499
-analytical 240.251 0.0562181 -8602.15 -95.1687 -132.792
HCO3- + Mg+2 = MgHCO3+
logk 1.0357
-analytical 42.6713 0.0302909 -76.1074 -20.3612 0.594294
H2O + Mg+2 = MgOH+ + H+
logk -11.6825
-analytical -1.23462 0.00322632 -3070.18 -0.445617 -47.4202
NH4+ = NH3 + H+
logk -9.241
-analytical 14.5234 0.00505255 -3044.62 -6.08535 -47.4222
Mg+2 + B(OH)3 + H2O = MgB(OH)4+ + H+
logk -7.8397
CrO4-2 + Ni+2 = NiCrO4
logk 2.4
CrO4-2 + 2 H+ = H2CrO4
logk 6.31
CrO4-2 + H+ = HCrO4-
logk 6.5238
-analytical 74.9937 0.0356022 -1012.39 -30.5783 -14.1396
Br- + Cr+3 = CrBr+2
logk -4.7427
-analytical 76.6031 0.0381767 -3303 -32.9854 -49.7402
Cr+3 + H2O = CrOH+2 + H+
logk -3.57
Cr+3 + 2 H2O = Cr(OH)2+ + 2 H+
logk -9.84
Cr+3 + 3 H2O = Cr(OH)3 + 3 H+
logk -16.19
Cr+3 + 4 H2O = Cr(OH)4- + 4 H+
logk -27.65
2 Cr+3 + 6 H2O = Cr2O2(OH)4-2 + 8 H+
logk -51.9302
H2O + Ni+2 = NiOH+ + H+
logk -9.5
Ni+2 + 2 H2O = Ni(OH)2 + 2 H+
logk -18
Ni+2 + 3 H2O = Ni(OH)3- + 3 H+
logk -29.7
Ni+2 + 4 H2O = Ni(OH)4-2 + 4 H+
logk -44.96
Br- + Ni+2 = NiBr+
logk -0.37
Ni+2 + HCO3- = NiCO3 + H+
logk -6.3288
F- + Ni+2 = NiF+
logk 1.12
-analytical 102.353 0.0397234 -2187.25 -42.7229 -32.4787
HCO3- + Ni+2 = NiHCO3+
logk 1
Ni+2 + HPO4-2 = NiHPO4
logk 2.934
Ni+2 + HPO4-2 + H+ = NiH2PO4+
logk 8.7494
Ni+2 + PO4-3 = NiPO4-
logk 8.374
H+ + Ni+2 + 2 HPO4-2 = NiHP2O7- + H2O
logk 9.268
2 HPO4-2 + Ni+2 = NiP2O7-2 + H2O
logk 3.088
NO3- + Ni+2 = NiNO3+
logk 0.1463
-analytical 149.894 0.0452863 -4225.55 -60.2379 -64.462
PITZER
-ALPHAS
Ca+2 Br- 2 12
Ca+2 Cl- 2 12
CaCl+ Cl- 2 12
Ca+2 NO3- 0.87 12
Ca+2 HSO4- 2 12
Ca+2 I- 2 12
Ca+2 SO4-2 1.4 12
Cs+ Br- 2 12
Cs+ Cl- 2 12
Cs+ F- 2 12
Cs+ I- 2 12
Cs+ NO3- 2 12
Cs+ OH- 2 12
Cs+ SO4-2 2 12
H+ Br- 2 12
H+ Cl- 2 12
H+ HSO4- 2 12
H+ I- 2 12
H+ NO3- 2 12
H+ SO4-2 2 12
K+ Br- 2 12
K+ Cl- 2 12
K+ CO3-2 2 12
K+ F- 2 12
K+ HCO3- 2 12
K+ HPO4-2 2 12
K+ HSO4- 2 12
K+ I- 2 12
K+ NO3- 2 12
K+ OH- 2 12
K+ SO4-2 2 12
Li+ Br- 2 12
Li+ Cl- 2 12
Li+ I- 2 12
Li+ NO3- 2 12
Li+ OH- 2 12
Li+ SO4-2 2 12
Mg+2 Br- 2 12
Mg+2 Cl- 2 12
Mg+2 HCO3- 2 12
Mg+2 HSO4- 2 12
Mg+2 I- 2 12
Mg+2 NO3- 1.55 12
Mg+2 SO4-2 1.4 12
Mn+2 Br- 2 12
Mn+2 ClO4- 2 12
MgOH+ Cl- 2 12
Na+ AlO2- 2 12
Na+ Br- 2 12
Na+ Cl- 2 12
Na+ CO3-2 2 12
Na+ F- 2 12
Na+ HCO3- 2 12
Na+ HPO4-2 2 12
Na+ H2PO4- 2 12
Na+ HSO4- 2 12
Na+ I- 2 12
Na+ NO3- 1.43 12
Na+ OH- 2 12
Na+ SO4-2 2 12
NH4+ Br- 2 12
NH4+ Cl- 2 12
NH4+ HCO3- 2 12
NH4+ I- 2 12
NH4+ NO3- 2 12
NH4+ SO4-2 2 12
Sr+2 Br- 2 12
Sr+2 Cl- 2 12
Sr+2 I- 2 12
Sr+2 NO3- 2 12
Al+3 Cl- 2 12
Ba+2 Cl- 2 12
Ba+2 Br- 2 12
Ba+2 I- 2 12
Ba+2 OH- 2 12
Ba+2 ClO4- 2 12
Ba+2 NO3- 2 12
CaB(OH)4+ Cl- 2 12
Ca+2 ClO4- 2 12
Ca+2 MoO4-2 2 12
Co+2 Cl- 2 12
Co+2 ClO4- 2 12
Co+2 Br- 2 12
Co+2 I- 2 12
Co+2 NO3- 2 12
Co+2 SO4-2 1.4 12
Cr+3 Cl- 2 12
Cr+3 NO3- 2 12
Na+ Cr(OH)4- 2 12
Na+ Cr2O2(OH)4-2 2 12
K+ Cr2O7-2 1.4 12
Cu+2 Cl- 2 12
Cu+2 NO3- 2 12
Cu+2 SO4-2 1.4 12
Cu+2 HSO4- 2 12
Cu+2 Br- 2 12
Cu+2 ClO4- 2 12
Fe+2 Cl- 2 12
H+ ClO4- 2 12
K+ CrO4-2 2 12
K+ PO4-3 2 12
K+ B(OH)4- 2 12
K+ B3O3(OH)4- 2 12
K+ B4O5(OH)4-2 2 12
Mn+2 Cl- 2 12
Mn+2 SO4-2 1.4 12
MgB(OH)4+ Cl- 2 12
Na+ ClO4- 2 12
Na+ B(OH)4- 2 12
Na+ B3O3(OH)4- 2 12
Na+ B4O5(OH)4-2 2 12
Na+ PO4-3 2 12
Na+ MoO4-2 2 12
Na+ CrO4-2 2 12
Ni+2 ClO4- 2 12
Ni+2 Cl- 2 12
Ni+2 Br- 2 12
Ni+2 NO3- 2 12
Ni+2 SO4-2 1.4 12
Fe+2 SO4-2 1.4 12
Fe+3 ClO4- 2 12
Zn+2 Cl- 2 12
Zn+2 Br- 2 12
Zn+2 I- 2 12
Zn+2 NO3- 2 12
Zn+2 ClO4- 2 12
Zn+2 SO4-2 1.4 12
-B0
Ca+2 Br- 0.3816 0 0 0 0
Ca+2 Cl- 0.303822 78.1786 1.45519e-011 0.000357022 0
CaCl+ Cl- 0.356841 22.3581 1.45519e-011 -0.000839061 0
Ca+2 NO3- 0.125912 144.214 0.520996 -0.000477655 0
Ca+2 HSO4- 0.2145 0 0 0 0
Ca+2 I- 0.4379 0 0 0 0
Ca+2 SO4-2 0.15 0 0 0 0
Cs+ Br- 0.0255603 -34.4283 -3.63798e-012 1.06581e-014 0
Cs+ Cl- 0.0329801 -539.761 -2.42136 0.00272852 0
Cs+ F- 0.1306 0 0 0 0
Cs+ I- 0.0244 0 0 0 0
Cs+ NO3- -0.0758 0 0 0 0
Cs+ OH- 0.15 0 0 0 0
Cs+ SO4-2 0.0714 0 0 0 0
H+ Br- 0.2085 0 0 0 0
H+ Cl- 0.177001 -33.4777 -0.262215 0.000125778 0
H+ HSO4- 0.209089 1054.54 5.95728 -0.00877592 0
H+ I- 0.2211 0 0 0 0
H+ NO3- 0.125585 560.12 4.91603 -0.0099509 0
H+ SO4-2 0.0986192 -6703.44 -41.6862 0.0636777 0
K+ Br- 0.0526049 -938.817 -4.4303 0.00524879 0
K+ Cl- 0.0477812 -343.299 -1.38219 0.00134298 0
K+ CO3-2 0.1288 0 0 0 0
K+ F- 0.08089 0 0 0 0
K+ HCO3- -0.0107 0 0 0 0
K+ HPO4-2 0.0248 0 0 0 0
K+ HSO4- -0.0003 0 0 0 0
K+ I- 0.0746 0 0 0 0
K+ NO3- -0.0816 0 0 0 0
K+ OH- 0.1298 0 0 0 0
K+ SO4-2 0.0555358 -1418.43 -6.74729 0.00826907 0
Li+ Br- 0.172803 3.72529e-009 1.45519e-011 -0.000106042 0
Li+ Cl- 0.14847 1.86265e-009 0 -0.0001546 0
Li+ I- 0.2104 0 0 0 0
Li+ NO3- 0.142 0 0 0 0
Li+ OH- 0.015 0 0 0 0
Li+ SO4-2 0.1363 0 0 0 0
Mg+2 Br- 0.4327 0 0 0 0
Mg+2 Cl- 0.351136 -65.5822 -0.525061 0.000447185 0
Mg+2 HCO3- 0.033 0 0 0 0
Mg+2 HSO4- 0.4746 0 0 0 0
Mg+2 I- 0.4902 0 0 0 0
Mg+2 NO3- 0.306728 0 0 0 0
Mg+2 SO4-2 0.222818 -5688.19 -32.8401 0.0473379 0
Mn+2 Br- 0.44655 0 0 0 0
Mn+2 ClO4- 0.50957 0 0 0 0
MgOH+ Cl- -0.1 0 0 0 0
Na+ AlO2- 0.0452319 -1545.73 -8.3136 0.0110572 0
Na+ Br- 0.0973867 -210.646 -0.395939 -0.000283574 0
Na+ Cl- 0.0745618 -470.789 -1.85114 0.00165565 0
Na+ CO3-2 0.0362048 1108.38 11.1986 -0.0233017 0
Na+ F- 0.0215 0 0 0 0
Na+ HCO3- 0.0280021 682.886 6.89959 -0.0144593 0
Na+ HPO4-2 -0.0583 0 0 0 0
Na+ H2PO4- -0.0533 0 0 0 0
Na+ HSO4- 0.0734349 52.5606 0.420809 -0.000821232 0
Na+ I- 0.1195 0 0 0 0
Na+ NO3- -0.00129331 -482.73 -2.21016 0.00254084 0
Na+ OH- 0.0883444 -1197.85 -6.10983 0.00743325 0
Na+ SO4-2 0.0120596 -2189.43 -10.1448 0.0119724 0
NH4+ Br- 0.0624 0 0 0 0
NH4+ Cl- 0.0524921 -216.413 -0.973041 0.00106115 0
NH4+ HCO3- -0.038 0 0 0 0
NH4+ I- 0.057 0 0 0 0
NH4+ NO3- -0.0154 0 0 0 0
NH4+ SO4-2 0.0391673 313.414 2.51504 -0.0044742 0
Sr+2 Br- 0.3311 0 0 0 0
Sr+2 Cl- 0.2834 0 0 0 0
Sr+2 I- 0.4013 0 0 0 0
Sr+2 NO3- 0.1346 0 0 0 0
Al+3 Cl- 0.6993 0 0 0 0
Ba+2 Cl- 0.2628 0 0 0 0
Ba+2 Br- 0.3146 0 0 0 0
Ba+2 I- 0.4219 0 0 0 0
Ba+2 OH- 0.1718 0 0 0 0
Ba+2 ClO4- 0.3614 0 0 0 0
Ba+2 NO3- -0.0323 0 0 0 0
CaB(OH)4+ Cl- 0.12 0 0 0 0
Ca+2 ClO4- 0.4511 0 0 0 0
Ca+2 MoO4-2 0.2 0 0 0 0
Co+2 Cl- 0.37351 0 0 0 0
Co+2 ClO4- 0.50409 0 0 0 0
Co+2 Br- 0.427 0 0 0 0
Co+2 I- 0.5213 0 0 0 0
Co+2 NO3- 0.3119 0 0 0 0
Co+2 SO4-2 0.2 0 0 0 0
Cr+3 Cl- 0.72234 0 0 0 0
Cr+3 NO3- 0.704 0 0 0 0
Na+ Cr(OH)4- 0.045 0 0 0 0
Na+ Cr2O2(OH)4-2 0.41 0 0 0 0
K+ Cr2O7-2 -2.1239 0 0 0 0
Cu+2 Cl- 0.23052 0 0 0 0
Cu+2 NO3- 0.28124 0 0 0 0
Cu+2 SO4-2 0.2358 0 0 0 0
Cu+2 HSO4- 0.4755 0 0 0 0
Cu+2 Br- 0.41247 0 0 0 0
Cu+2 ClO4- 0.48984 0 0 0 0
Fe+2 Cl- 0.3359 0 0 0 0
H+ ClO4- 0.1747 0 0 0 0
K+ CrO4-2 0.0791 0 0 0 0
K+ PO4-3 0.3729 0 0 0 0
K+ B(OH)4- 0.035 0 0 0 0
K+ B3O3(OH)4- -0.13 0 0 0 0
K+ B4O5(OH)4-2 -0.022 0 0 0 0
Mn+2 Cl- 0.29486 0 0 0 0
Mn+2 SO4-2 0.201 0 0 0 0
MgB(OH)4+ Cl- 0.16 0 0 0 0
Na+ ClO4- 0.0554 0 0 0 0
Na+ B(OH)4- -0.0427 0 0 0 0
Na+ B3O3(OH)4- -0.056 0 0 0 0
Na+ B4O5(OH)4-2 -0.11 0 0 0 0
Na+ PO4-3 0.1781 0 0 0 0
Na+ MoO4-2 0.116 0 0 0 0
Na+ CrO4-2 0.0645 0 0 0 0
Ni+2 ClO4- 0.49285 0 0 0 0
Ni+2 Cl- 0.3499 0 0 0 0
Ni+2 Br- 0.4451 0 0 0 0
Ni+2 NO3- 0.30978 0 0 0 0
Ni+2 SO4-2 0.1702 0 0 0 0
Fe+2 SO4-2 0.2568 0 0 0 0
Fe+3 ClO4- 1.412 0 0 0 0
Zn+2 Cl- 0.2602 0 0 0 0
Zn+2 Br- 0.466 0 0 0 0
Zn+2 I- 0.4821 0 0 0 0
Zn+2 NO3- 0.3481 0 0 0 0
Zn+2 ClO4- 0.506 0 0 0 0
Zn+2 SO4-2 0.1949 0 0 0 0
-B1
Ca+2 Br- 1.6133 0 0 0 0
Ca+2 Cl- 1.70143 -148.325 1.16415e-010 0.00505789 0
CaCl+ Cl- 4.81235 3865.29 4.65661e-010 0.0112332 0
Ca+2 NO3- 0.402371 -3219.15 -8.98838 0.00373059 0
Ca+2 HSO4- 2.5275 0 0 0 0
Ca+2 I- 1.8068 0 0 0 0
Ca+2 SO4-2 3 0 0 0 0
Cs+ Br- 0.0284193 -338.671 -1.45519e-011 5.68434e-014 0
Cs+ Cl- 0.0429 -38 1.45519e-011 0.001306 0
Cs+ F- 0.257 0 0 0 0
Cs+ I- 0.0262 0 0 0 0
Cs+ NO3- -0.0669 0 0 0 0
Cs+ OH- 0.3 0 0 0 0
Cs+ SO4-2 1.2008 0 0 0 0
H+ Br- 0.3477 0 0 0 0
H+ Cl- 0.292923 3402.47 19.7936 -0.0279388 0
H+ HSO4- 0.440922 296.437 2.37333 -0.00463168 0
H+ I- 0.4907 0 0 0 0
H+ NO3- 0.287782 2.71242e-007 1.58606e-009 0.0013396 0
H+ SO4-2 0 0 0 0 0
K+ Br- 0.235353 2489.76 12.542 -0.013415 0
K+ Cl- 0.215511 -576.388 -2.88017 0.00464483 0
K+ CO3-2 1.4333 0 0 0 0
K+ F- 0.2021 0 0 0 0
K+ HCO3- 0.0478 0 0 0 0
K+ HPO4-2 1.2743 0 0 0 0
K+ HSO4- 0.1735 0 0 0 0
K+ I- 0.2517 0 0 0 0
K+ NO3- 0.0494 0 0 0 0
K+ OH- 0.32 0 0 0 0
K+ SO4-2 0.796385 2067.13 2.32831e-010 0.0235793 0
Li+ Br- 0.297759 990.383 5.60773 -0.00697051 0
Li+ Cl- 0.307 7.45058e-009 2.91038e-011 0.000636 0
Li+ I- 0.373 0 0 0 0
Li+ NO3- 0.278 0 0 0 0
Li+ OH- 0.14 0 0 0 0
Li+ SO4-2 1.2705 0 0 0 0
Mg+2 Br- 1.7528 0 0 0 0
Mg+2 Cl- 1.65325 -2872.88 -23.0007 0.0494573 0
Mg+2 HCO3- 0.8498 0 0 0 0
Mg+2 HSO4- 1.7288 0 0 0 0
Mg+2 I- 1.8041 0 0 0 0
Mg+2 NO3- 1.25745 0 0 0 0
Mg+2 SO4-2 3.37713 -23184 -139.335 0.217921 0
Mn+2 Br- 1.34477 0 0 0 0
Mn+2 ClO4- 2.16209 0 0 0 0
MgOH+ Cl- 1.658 0 0 0 0
Na+ AlO2- 0.30666 -4913.33 -28.5581 0.0416055 0
Na+ Br- 0.297015 -6335.18 -37.5077 0.0558804 0
Na+ Cl- 0.275241 -521.118 -2.88036 0.00471463 0
Na+ CO3-2 1.51207 4412.51 44.5821 -0.0998912 0
Na+ F- 0.2107 0 0 0 0
Na+ HCO3- 0.0440052 1129.39 11.4109 -0.0244673 0
Na+ HPO4-2 1.4655 0 0 0 0
Na+ H2PO4- 0.0396 0 0 0 0
Na+ HSO4- 0.299943 4698.12 26.8475 -0.0373912 0
Na+ I- 0.3439 0 0 0 0
Na+ NO3- 0.141301 -2759.36 -13.3527 0.0180629 0
Na+ OH- 0.244421 1627.03 9.4825 -0.0115789 0
Na+ SO4-2 1.11538 -12744.2 -67.1934 0.0891223 0
NH4+ Br- 0.1947 0 0 0 0
NH4+ Cl- 0.187339 0 -0.142555 0.00109395 0
NH4+ HCO3- 0.07 0 0 0 0
NH4+ I- 0.3157 0 0 0 0
NH4+ NO3- 0.112 0 0 0 0
NH4+ SO4-2 0.662847 37708.8 255.814 -0.422218 0
Sr+2 Br- 1.7115 0 0 0 0
Sr+2 Cl- 1.6256 0 0 0 0
Sr+2 I- 1.86 0 0 0 0
Sr+2 NO3- 1.38 0 0 0 0
Al+3 Cl- 5.8447 0 0 0 0
Ba+2 Cl- 1.4963 0 0 0 0
Ba+2 Br- 1.5698 0 0 0 0
Ba+2 I- 1.6868 0 0 0 0
Ba+2 OH- 1.2 0 0 0 0
Ba+2 ClO4- 1.5758 0 0 0 0
Ba+2 NO3- 0.8025 0 0 0 0
CaB(OH)4+ Cl- 0 0 0 0 0
Ca+2 ClO4- 1.757 0 0 0 0
Ca+2 MoO4-2 3.1973 0 0 0 0
Co+2 Cl- 1.25999 0 0 0 0
Co+2 ClO4- 1.96664 0 0 0 0
Co+2 Br- 1.6598 0 0 0 0
Co+2 I- 1.6725 0 0 0 0
Co+2 NO3- 1.6905 0 0 0 0
Co+2 SO4-2 2.7 0 0 0 0
Cr+3 Cl- 5.5989 0 0 0 0
Cr+3 NO3- 5.1847 0 0 0 0
Na+ Cr(OH)4- 0.31 0 0 0 0
Na+ Cr2O2(OH)4-2 0.7 0 0 0 0
K+ Cr2O7-2 6.3443 0 0 0 0
Cu+2 Cl- 2.20897 0 0 0 0
Cu+2 NO3- 1.72906 0 0 0 0
Cu+2 SO4-2 2.485 0 0 0 0
Cu+2 HSO4- 2.428 0 0 0 0
Cu+2 Br- 1.6627 0 0 0 0
Cu+2 ClO4- 1.90361 0 0 0 0
Fe+2 Cl- 1.5323 0 0 0 0
H+ ClO4- 0.2931 0 0 0 0
K+ CrO4-2 1.113 0 0 0 0
K+ PO4-3 3.972 0 0 0 0
K+ B(OH)4- 0.14 0 0 0 0
K+ B3O3(OH)4- 0 0 0 0 0
K+ B4O5(OH)4-2 0 0 0 0 0
Mn+2 Cl- 2.01251 0 0 0 0
Mn+2 SO4-2 2.98 0 0 0 0
MgB(OH)4+ Cl- 0 0 0 0 0
Na+ ClO4- 0.2755 0 0 0 0
Na+ B(OH)4- 0.089 0 0 0 0
Na+ B3O3(OH)4- -0.91 0 0 0 0
Na+ B4O5(OH)4-2 -0.4 0 0 0 0
Na+ PO4-3 3.8513 0 0 0 0
Na+ MoO4-2 2.287 0 0 0 0
Na+ CrO4-2 1.5974 0 0 0 0
Ni+2 ClO4- 1.98517 0 0 0 0
Ni+2 Cl- 1.53 0 0 0 0
Ni+2 Br- 1.49 0 0 0 0
Ni+2 NO3- 2.10644 0 0 0 0
Ni+2 SO4-2 2.907 0 0 0 0
Fe+2 SO4-2 3.063 0 0 0 0
Fe+3 ClO4- 2.989 0 0 0 0
Zn+2 Cl- 1.6425 0 0 0 0
Zn+2 Br- 1.6343 0 0 0 0
Zn+2 I- 1.9455 0 0 0 0
Zn+2 NO3- 1.6913 0 0 0 0
Zn+2 ClO4- 1.797 0 0 0 0
Zn+2 SO4-2 2.883 0 0 0 0
-B2
Ca+2 Br- 0 0 0 0 0
Ca+2 Cl- 0 0 0 0 0
CaCl+ Cl- 0 0 0 0 0
Ca+2 NO3- 0 0 0 0 0
Ca+2 HSO4- 0 0 0 0 0
Ca+2 I- 0 0 0 0 0
Ca+2 SO4-2 0 0 0 0 0
Cs+ Br- 0 0 0 0 0
Cs+ Cl- 0 0 0 0 0
Cs+ F- 0 0 0 0 0
Cs+ I- 0 0 0 0 0
Cs+ NO3- 0 0 0 0 0
Cs+ OH- 0 0 0 0 0
Cs+ SO4-2 0 0 0 0 0
H+ Br- 0 0 0 0 0
H+ Cl- 0 0 0 0 0
H+ HSO4- 0 0 0 0 0
H+ I- 0 0 0 0 0
H+ NO3- 0 0 0 0 0
H+ SO4-2 0 0 0 0 0
K+ Br- 0 0 0 0 0
K+ Cl- 0 0 0 0 0
K+ CO3-2 0 0 0 0 0
K+ F- 0 0 0 0 0
K+ HCO3- 0 0 0 0 0
K+ HPO4-2 0 0 0 0 0
K+ HSO4- 0 0 0 0 0
K+ I- 0 0 0 0 0
K+ NO3- 0 0 0 0 0
K+ OH- 0 0 0 0 0
K+ SO4-2 0 0 0 0 0
Li+ Br- 0 0 0 0 0
Li+ Cl- 0 0 0 0 0
Li+ I- 0 0 0 0 0
Li+ NO3- 0 0 0 0 0
Li+ OH- 0 0 0 0 0
Li+ SO4-2 0 0 0 0 0
Mg+2 Br- 0 0 0 0 0
Mg+2 Cl- 0 0 0 0 0
Mg+2 HCO3- 0 0 0 0 0
Mg+2 HSO4- 0 0 0 0 0
Mg+2 I- 0 0 0 0 0
Mg+2 NO3- 0 0 0 0 0
Mg+2 SO4-2 -35.2588 2.17039e+006 13998.3 -22.8323 0
Mn+2 Br- 0 0 0 0 0
Mn+2 ClO4- 0 0 0 0 0
MgOH+ Cl- 0 0 0 0 0
Na+ AlO2- 0 0 0 0 0
Na+ Br- 0 0 0 0 0
Na+ Cl- 0 0 0 0 0
Na+ CO3-2 0 0 0 0 0
Na+ F- 0 0 0 0 0
Na+ HCO3- 0 0 0 0 0
Na+ HPO4-2 0 0 0 0 0
Na+ H2PO4- 0 0 0 0 0
Na+ HSO4- 0 0 0 0 0
Na+ I- 0 0 0 0 0
Na+ NO3- 0 0 0 0 0
Na+ OH- 0 0 0 0 0
Na+ SO4-2 0 0 0 0 0
NH4+ Br- 0 0 0 0 0
NH4+ Cl- 0 0 0 0 0
NH4+ HCO3- 0 0 0 0 0
NH4+ I- 0 0 0 0 0
NH4+ NO3- 0 0 0 0 0
NH4+ SO4-2 0 0 0 0 0
Sr+2 Br- 0 0 0 0 0
Sr+2 Cl- 0 0 0 0 0
Sr+2 I- 0 0 0 0 0
Sr+2 NO3- 0 0 0 0 0
Al+3 Cl- 0 0 0 0 0
Ba+2 Cl- 0 0 0 0 0
Ba+2 Br- 0 0 0 0 0
Ba+2 I- 0 0 0 0 0
Ba+2 OH- 0 0 0 0 0
Ba+2 ClO4- 0 0 0 0 0
Ba+2 NO3- 0 0 0 0 0
CaB(OH)4+ Cl- 0 0 0 0 0
Ca+2 ClO4- 0 0 0 0 0
Ca+2 MoO4-2 -54.24 0 0 0 0
Co+2 Cl- 0 0 0 0 0
Co+2 ClO4- 0 0 0 0 0
Co+2 Br- 0 0 0 0 0
Co+2 I- 0 0 0 0 0
Co+2 NO3- 0 0 0 0 0
Co+2 SO4-2 -30.7 0 0 0 0
Cr+3 Cl- 0 0 0 0 0
Cr+3 NO3- 0 0 0 0 0
Na+ Cr(OH)4- 0 0 0 0 0
Na+ Cr2O2(OH)4-2 0 0 0 0 0
K+ Cr2O7-2 25.9183 0 0 0 0
Cu+2 Cl- 0 0 0 0 0
Cu+2 NO3- 0 0 0 0 0
Cu+2 SO4-2 -47.35 0 0 0 0
Cu+2 HSO4- 0 0 0 0 0
Cu+2 Br- 0 0 0 0 0
Cu+2 ClO4- 0 0 0 0 0
Fe+2 Cl- 0 0 0 0 0
H+ ClO4- 0 0 0 0 0
K+ CrO4-2 0 0 0 0 0
K+ PO4-3 0 0 0 0 0
K+ B(OH)4- 0 0 0 0 0
K+ B3O3(OH)4- 0 0 0 0 0
K+ B4O5(OH)4-2 0 0 0 0 0
Mn+2 Cl- 0 0 0 0 0
Mn+2 SO4-2 -40 0 0 0 0
MgB(OH)4+ Cl- 0 0 0 0 0
Na+ ClO4- 0 0 0 0 0
Na+ B(OH)4- 0 0 0 0 0
Na+ B3O3(OH)4- 0 0 0 0 0
Na+ B4O5(OH)4-2 0 0 0 0 0
Na+ PO4-3 0 0 0 0 0
Na+ MoO4-2 0 0 0 0 0
Na+ CrO4-2 0 0 0 0 0
Ni+2 ClO4- 0 0 0 0 0
Ni+2 Cl- 0 0 0 0 0
Ni+2 Br- 0 0 0 0 0
Ni+2 NO3- 0 0 0 0 0
Ni+2 SO4-2 -40.06 0 0 0 0
Fe+2 SO4-2 -42 0 0 0 0
Fe+3 ClO4- 0 0 0 0 0
Zn+2 Cl- 0 0 0 0 0
Zn+2 Br- 0 0 0 0 0
Zn+2 I- 0 0 0 0 0
Zn+2 NO3- 0 0 0 0 0
Zn+2 ClO4- 0 0 0 0 0
Zn+2 SO4-2 -32.81 0 0 0 0
-C0
Ca+2 Br- -0.0025721 0 0 0 0
Ca+2 Cl- 0.00117585 -2.49944 -2.27374e-013 -3.43691e-005 0
CaCl+ Cl- -0.00677088 -1.41252 1.13687e-013 1.45678e-005 0
Ca+2 NO3- -0.0026082 -29.6872 -0.162394 0.000220405 0
Ca+2 HSO4- 0 0 0 0 0
Ca+2 I- -0.00083792 0 0 0 0
Ca+2 SO4-2 0 0 0 0 0
Cs+ Br- 0.000949401 52.6758 0.23335 -0.0002656 0
Cs+ Cl- -0.000183801 48.4733 0.216077 -0.000239736 0
Cs+ F- -0.0043 0 0 0 0
Cs+ I- -0.00365 0 0 0 0
Cs+ NO3- 0 0 0 0 0
Cs+ OH- 0 0 0 0 0
Cs+ SO4-2 0.0029115 0 0 0 0
H+ Br- 0.00152 0 0 0 0
H+ Cl- 0.000362 -2.91038e-011 0 -3.036e-005 0
H+ HSO4- 0 0 0 0 0
H+ I- 0.00482 0 0 0 0
H+ NO3- -0.00559627 -6.57638 -0.0577192 0.000110405 0
H+ SO4-2 0.0593003 -3029.55 -16.072 0.0202175 0
K+ Br- -1.47498e-005 255.458 1.25575 -0.00152465 0
K+ Cl- -0.000748605 36.5328 0.148205 -0.000147225 0
K+ CO3-2 0.00049851 0 0 0 0
K+ F- 0.00093 0 0 0 0
K+ HCO3- 0 0 0 0 0
K+ HPO4-2 0.016387 0 0 0 0
K+ HSO4- 0 0 0 0 0
K+ I- -0.00414 0 0 0 0
K+ NO3- 0.0066 0 0 0 0
K+ OH- 0.0041 0 0 0 0
K+ SO4-2 -0.0188 0 9.09495e-013 -2.66454e-015 0
Li+ Br- 0.00476301 -92.5667 -0.462632 0.000524229 0
Li+ Cl- 0.00370971 4.52467 0.00327989 -8.61317e-006 0
Li+ I- 0 0 0 0 0
Li+ NO3- -0.00551 0 0 0 0
Li+ OH- 0 0 0 0 0
Li+ SO4-2 -0.0039934 0 0 0 0
Mg+2 Br- 0.0031236 0 0 0 0
Mg+2 Cl- 0.00652611 -26.7038 -0.213795 0.000311488 0
Mg+2 HCO3- 0 0 0 0 0
Mg+2 HSO4- 0 0 0 0 0
Mg+2 I- 0.0079337 0 0 0 0
Mg+2 NO3- -0.00332923 0 0 0 0
Mg+2 SO4-2 0.024365 1894.84 10.8446 -0.015634 0
Mn+2 Br- -0.02269 0 0 0 0
Mn+2 ClO4- 0.01144 0 0 0 0
MgOH+ Cl- 0 0 0 0 0
Na+ AlO2- -0.000303688 205.885 1.07578 -0.00143737 0
Na+ Br- 0.000749486 -14.2959 -0.165395 0.000305237 0
Na+ Cl- 0.00153693 48.0725 0.17468 -0.000156269 0
Na+ CO3-2 0.0052 0 0 8.88178e-016 0
Na+ F- 0 0 0 0 0
Na+ HCO3- 0 0 0 0 0
Na+ HPO4-2 0.02938 0 0 0 0
Na+ H2PO4- 0.00795 0 0 0 0
Na+ HSO4- -0.00462067 -5.82077e-011 -2.27374e-013 6.82142e-006 0
Na+ I- 0.0018 0 0 0 0
Na+ NO3- 0.000320511 46.9542 0.224387 -0.000263788 0
Na+ OH- 0.00399944 88.2476 0.406876 -0.000475667 0
Na+ SO4-2 0.00657125 338.749 1.48134 -0.00164185 0
NH4+ Br- -0.00436 0 0 0 0
NH4+ Cl- -0.00307437 7.39922 0.0230712 -1.76252e-005 0
NH4+ HCO3- 0 0 0 0 0
NH4+ I- -0.00308 0 0 0 0
NH4+ NO3- -3e-005 0 0 0 0
NH4+ SO4-2 -0.000757091 -114.019 -0.75621 0.00120647 0
Sr+2 Br- 0.0012251 0 0 0 0
Sr+2 Cl- -0.00089095 0 0 0 0
Sr+2 I- 0.002657 0 0 0 0
Sr+2 NO3- -0.019925 0 0 0 0
Al+3 Cl- 0.00273 0 0 0 0
Ba+2 Cl- -0.01938 0 0 0 0
Ba+2 Br- -0.01596 0 0 0 0
Ba+2 I- -0.01743 0 0 0 0
Ba+2 OH- 0 0 0 0 0
Ba+2 ClO4- -0.03126 0 0 0 0
Ba+2 NO3- 0 0 0 0 0
CaB(OH)4+ Cl- 0 0 0 0 0
Ca+2 ClO4- -0.005 0 0 0 0
Ca+2 MoO4-2 0 0 0 0 0
Co+2 Cl- -0.01803 0 0 0 0
Co+2 ClO4- 0.01349 0 0 0 0
Co+2 Br- -0.00067 0 0 0 0
Co+2 I- -0.00467 0 0 0 0
Co+2 NO3- -0.00762 0 0 0 0
Co+2 SO4-2 0 0 0 0 0
Cr+3 Cl- -0.04141 0 0 0 0
Cr+3 NO3- -0.05901 0 0 0 0
Na+ Cr(OH)4- -0.003 0 0 0 0
Na+ Cr2O2(OH)4-2 -0.03768 0 0 0 0
K+ Cr2O7-2 1.6682 0 0 0 0
Cu+2 Cl- -0.01639 0 0 0 0
Cu+2 NO3- -0.00842 0 0 0 0
Cu+2 SO4-2 -0.0012 0 0 0 0
Cu+2 HSO4- 0 0 0 0 0
Cu+2 Br- -0.04262 0 0 0 0
Cu+2 ClO4- 0.00839 0 0 0 0
Fe+2 Cl- -0.00861 0 0 0 0
H+ ClO4- 0.00819 0 0 0 0
K+ CrO4-2 -0.0012 0 0 0 0
K+ PO4-3 -0.08679 0 0 0 0
K+ B(OH)4- 0 0 0 0 0
K+ B3O3(OH)4- 0 0 0 0 0
K+ B4O5(OH)4-2 0 0 0 0 0
Mn+2 Cl- -0.01528 0 0 0 0
Mn+2 SO4-2 0.0182 0 0 0 0
MgB(OH)4+ Cl- 0 0 0 0 0
Na+ ClO4- -0.00118 0 0 0 0
Na+ B(OH)4- 0.0114 0 0 0 0
Na+ B3O3(OH)4- 0 0 0 0 0
Na+ B4O5(OH)4-2 0 0 0 0 0
Na+ PO4-3 -0.051538 0 0 0 0
Na+ MoO4-2 0.006 0 0 0 0
Na+ CrO4-2 0.0094 0 0 0 0
Ni+2 ClO4- 0.01679 0 0 0 0
Ni+2 Cl- -0.00471 0 0 0 0
Ni+2 Br- -0.00626 0 0 0 0
Ni+2 NO3- -0.00394 0 0 0 0
Ni+2 SO4-2 0.0366 0 0 0 0
Fe+2 SO4-2 0.0209 0 0 0 0
Fe+3 ClO4- -0.462 0 0 0 0
Zn+2 Cl- -0.08798 0 0 0 0
Zn+2 Br- -0.10792 0 0 0 0
Zn+2 I- -0.01427 0 0 0 0
Zn+2 NO3- -0.01567 0 0 0 0
Zn+2 ClO4- 0.01132 0 0 0 0
Zn+2 SO4-2 0.029 0 0 0 0
-THETA
Ca+2 H+ 0.092 0 0 0 0
Ca+2 K+ 0.1156 9.31323e-010 0 1.42109e-014 0
Ca+2 Na+ 0.05 1.86265e-009 7.27596e-012 0 0
Ca+2 Mg+2 0.007 0 0 0 0
Cs+ H+ -0.044 0 0 0 0
Cs+ K+ 0 0 0 0 0
Cs+ Li+ -0.1242 0 0 0 0
Cs+ Na+ -0.03886 0 0 0 0
Cs+ Mg+2 -0.078 0 0 0 0
H+ K+ 0.005 0 0 0 0
H+ Li+ 0.015 0 0 0 0
H+ Mg+2 0.1 0 0 0 0
H+ Na+ 0.036 0 0 0 0
H+ NH4+ -0.019 0 0 0 0
H+ Sr+2 0.0642 0 0 0 0
K+ Li+ -0.0563 0 0 0 0
K+ Mg+2 0 0 0 0 0
K+ Na+ -0.00320349 14.0213 9.09495e-013 -2.66454e-015 0
Li+ Na+ 0.0029 0 0 0 0
Ba+2 H+ 0.0991 0 0 0 0
Na+ Co+2 0.0382 0 0 0 0
Ca+2 Co+2 0.1722 0 0 0 0
Co+2 H+ 0.0829 0 0 0 0
Co+2 K+ 0.0559 0 0 0 0
Cr+3 K+ -0.07 0 0 0 0
Cu+2 K+ -0.16 0 0 0 0
Cu+2 Na+ 0.037 0 0 0 0
Cu+2 H+ 0.084 0 0 0 0
Mg+2 Na+ 0.07 0 0 0 0
Na+ Mn+2 0.0907 0 0 0 0
Ni+2 H+ 0.069 0 0 0 0
Ni+2 K+ 0 0 0 0 0
Ni+2 Na+ 0 0 0 0 0
AlO2- NO3- 0.038 0 0 0 0
AlO2- OH- 0.014 0 0 0 0
Br- Cl- 0 0 0 0 0
Br- OH- -0.065 0 0 0 0
Cl- ClO4- 0.0341 0 0 0 0
Cl- CO3-2 -0.092 0 0 0 0
Cl- HCO3- 0.0359 0 0 0 0
Cl- HSO4- -0.006 0 0 0 0
Cl- NO3- 0.016 0 0 0 0
Cl- OH- -0.05 0 0 0 0
ClO4- OH- -0.032 0 0 0 0
Cl- SO4-2 0.0703279 182.513 1.32573 -0.00233223 0
ClO4- SO4-2 0.02 0 0 0 0
CO3-2 HCO3- -0.04 0 0 0 0
CO3-2 OH- 0.1 0 0 0 0
CO3-2 SO4-2 0.02 0 0 0 0
CO3-2 ClO4- 0.07 0 0 0 0
HCO3- SO4-2 0.01 0 0 0 0
HCO3- ClO4- 0.081 0 0 0 0
HSO4- SO4-2 -0.116842 -3090.83 -14.002 0.0154028 0
OH- SO4-2 -0.013 0 0 0 0
OH- Cr(OH)4- 0.014 0 0 0 0
Cl- CrO4-2 0.02 0 0 0 0
Cl- Cr2O7-2 0.1 0 0 0 0
Br- Cr2O7-2 -0.05 0 0 0 0
Cl- MoO4-2 0.035 0 0 0 0
SO4-2 B(OH)4- -0.012 0 0 0 0
SO4-2 B3O3(OH)4- 0.1 0 0 0 0
SO4-2 B4O5(OH)4-2 0.12 0 0 0 0
Cl- B(OH)4- -0.065 0 0 0 0
Cl- B3O3(OH)4- 0.12 0 0 0 0
Cl- B4O5(OH)4-2 0.074 0 0 0 0
HCO3- B3O3(OH)4- -0.1 0 0 0 0
HCO3- B4O5(OH)4-2 -0.087 0 0 0 0
-LAMDA
Ca+2 CO2 0.23088 554.03 2.36157 -0.00253647 0
H+ CO2 0 0 0 0 0
K+ CO2 0.11544 277.015 1.18078 -0.00126824 0
Mg+2 CO2 0.23088 554.03 2.36157 -0.00253647 0
Na+ CO2 0.11544 277.015 1.18078 -0.00126824 0
Al+3 O2 0.3095 0 0 0 0
Ba+2 O2 0.285 0 0 0 0
Ca+2 O2 0.2497 0 0 0 0
H+ O2 0.0352846 81.45 -8.09461e-011 1.21206e-013 0
K+ O2 0.151915 199.431 7.64677e-010 -1.14341e-012 0
Li+ O2 0.149 0 0 0 0
Mg+2 O2 0.229806 305.513 -2.15815e-010 3.23403e-013 0
Na+ O2 0.160236 72.8644 -0.616311 0.0018462 0
NH4+ O2 0.0751 0 0 0 0
H+ SiO2 0 0 0 0 0
Mg+2 SiO2 0.0821096 -3.83318e-009 -2.32691e-011 -0.0018133 0
Na+ SiO2 -0.0788994 -1.43923e-007 -8.63577e-010 0.000118667 0
H+ H3PO4 0.29 0 0 0 0
Cl- CO2 0 0 0 0 0
SO4-2 CO2 0.0938551 640.652 2.19629 -0.00183326 0
Cl- O2 0 0 0 0 0
Br- O2 -0.0347 0 0 0 0
CO3-2 O2 0.0964892 -277.074 2.03006e-010 -3.0343e-013 0
HCO3- O2 0.0854 0 0 0 0
I- O2 -0.0744 0 0 0 0
NO3- O2 -0.0377 0 0 0 0
OH- O2 0.0522254 15.571 -2.74032e-010 4.10103e-013 0
SO4-2 O2 0.0877744 -274.085 1.32907e-009 -1.98728e-012 0
ClO4- CO2 -0.07 0 0 0 0
Cl- SiO2 0.142309 167.356 1.50701 -0.00321903 0
NO3- SiO2 0.134079 6301.5 35.5262 -0.0502191 0
SO4-2 SiO2 0.0775993 1.55517e-007 9.33172e-010 0.00055333 0
H2PO4- H3PO4 -0.4 0 0 0 0
CO2 CO2 -0.0114856 1172.99 5.6247 -0.00680013 0
CaCl2 CaCl2 3.7094 5485.62 -1.01905e-010 0.0199031 0
H3PO4 H3PO4 0.0503 0 0 0 0
SiO2 SiO2 0 0 0 0 0
CO2 SiO2 0 0 0 0 0
-ZETA
Na+ Cl- CO2 -0.00756938 0 0 6.05286e-006 0
Na+ SO4-2 CO2 -0.0105 0 0 0 0
Ba+2 Cl- O2 0 0 0 0 0
Ca+2 Cl- O2 -0.0169 0 0 0 0
Ca+2 NO3- O2 0 0 0 0 0
H+ Cl- O2 -0.0077 0 0 0 0
K+ Br- O2 -0.00541 0 0 0 0
K+ Cl- O2 -0.0211 0 0 0 0
K+ OH- O2 -0.00706412 -15.075 -0.0452072 4.50985e-005 0
K+ NO3- O2 -0.0281 0 0 0 0
K+ SO4-2 O2 0 0 0 0 0
Li+ Cl- O2 0 0 0 0 0
Na+ Br- O2 -0.00909 0 0 0 0
Na+ Cl- O2 -0.00918665 -2.739 3.25992e-011 -4.87959e-014 0
Na+ CO3-2 O2 -0.0181 0 0 0 0
Na+ HCO3- O2 0 0 0 0 0
Na+ NO3- O2 -0.012 0 0 0 0
Na+ OH- O2 -0.0125 0 0 0 0
Na+ SO4-2 O2 -0.046 0 0 0 0
NH4+ SO4-2 O2 0 0 0 0 0
H+ NO3- SiO2 -0.0033 0 0 0 0
Mg+2 Cl- SiO2 -0.0514692 1.49594e-008 8.98686e-011 0.000594133 0
Na+ Cl- SiO2 -8.47766e-015 -1.84314e-008 -1.10633e-010 -0.0002 0
-PSI
Ca+2 K+ Cl- -0.043189 -27.0771 -3.63798e-012 3.55271e-015 0
Ca+2 Na+ Cl- -0.003 0 1.13687e-013 -6.66134e-016 0
Ca+2 Na+ SO4-2 -0.012 0 4.54747e-013 -2.66454e-015 0
K+ Mg+2 Cl- -0.022 -14.27 0 0 0
K+ Na+ Cl- -0.00369149 -5.10213 -3.41061e-013 6.66134e-016 0
K+ Na+ SO4-2 0.00732101 -71.6091 -0.394156 0.000606679 0
Mg+2 Na+ Cl- -0.012 -9.51 0 0 0
H+ Na+ HSO4- -0.0129 0 0 0 0
H+ Na+ ClO4- -0.016 0 0 0 0
Ca+2 Na+ ClO4- -0.02 0 0 0 0
Na+ HCO3- ClO4- -0.019 0 0 0 0
Cr+3 Na+ Cl- 0.01 0 0 0 0
Cr+3 K+ Cl- -0.01 0 0 0 0
Cs+ Na+ ClO4- 0.0026 0 0 0 0
Cs+ Na+ Cl- -0.00135 0 0 0 0
Cs+ Na+ SO4-2 0.0023 0 0 0 0
Cs+ K+ Cl- -0.0013 0 0 0 0
Cs+ K+ SO4-2 -0.0042 0 0 0 0
Cs+ Mg+2 Cl- -0.044 0 0 0 0
Cs+ Mg+2 SO4-2 -0.08 0 0 0 0
Al+3 K+ Cl- -0.06 0 0 0 0
Al+3 Mg+2 Cl- -0.024 0 0 0 0
Ba+2 H+ Cl- -0.0081 0 0 0 0
Na+ Co+2 Cl- -0.0056 0 0 0 0
Ca+2 Co+2 Cl- -0.0332 0 0 0 0
Co+2 K+ Cl- -0.0315 0 0 0 0
Co+2 H+ Cl- 0.0075 0 0 0 0
Cu+2 Na+ Cl- -0.0129 0 0 0 0
Cu+2 Na+ SO4-2 -0.0235 0 0 0 0
Cu+2 K+ Cl- -0.001 0 0 0 0
Cu+2 K+ SO4-2 0.06 0 0 0 0
Cu+2 H+ HSO4- -0.019 0 0 0 0
Mg+2 H+ Cl- -0.011 0 0 0 0
Mg+2 MgOH+ Cl- 0.028 0 0 0 0
Na+ Mn+2 Cl- -0.019 0 0 0 0
Ni+2 H+ Cl- 0.0044 0 0 0 0
Ni+2 K+ Cl- -0.031 0 0 0 0
Ni+2 K+ SO4-2 -0.069 0 0 0 0
Ni+2 Na+ SO4-2 -0.015 0 0 0 0
Ni+2 H+ Br- 0.06 0 0 0 0
Ca+2 Cl- SO4-2 -0.018 -6.98492e-010 -2.72848e-012 1.77636e-015 0
K+ Cl- SO4-2 -0.00161523 37.562 2.89901e-012 0.000284698 0
Mg+2 Cl- SO4-2 -0.00796 32.63 0 0 0
Na+ AlO2- NO3- 0.0066 0 0 0 0
Na+ Cl- NO3- -0.006 0 0 0 0
Na+ HCO3- Cl- -0.0143 0 0 0 0
Na+ CO3-2 Cl- 0.016 0 0 0 0
Na+ AlO2- OH- -0.0048 0 0 0 0
Na+ Cl- OH- -0.00601 -9.93 0 0 0
Na+ Cl- SO4-2 -0.00908855 -78.6142 -0.551999 0.000946106 0
Na+ HSO4- SO4-2 0.0143653 258.084 1.16444 -0.00125524 0
Na+ OH- SO4-2 -0.0091 -11.69 0 0 0
H+ HSO4- SO4-2 0.02781 0 0 0 0
Na+ ClO4- SO4-2 0.0014 0 0 0 0
Na+ B(OH)4- Cl- -0.0073 0 0 0 0
Cs+ ClO4- Cl- 0.0023 0 0 0 0
Na+ ClO4- Cl- -0.0057 0 0 0 0
Na+ B3O3(OH)4- Cl- -0.024 0 0 0 0
Na+ B4O5(OH)4-2 Cl- 0.026 0 0 0 0
Na+ OH- Cr(OH)4- -0.0048 0 0 0 0
K+ Cl- CrO4-2 0.035 0 0 0 0
Na+ Cl- CrO4-2 -0.004 0 0 0 0
K+ Cl- Cr2O7-2 -0.7 0 0 0 0
K+ Br- Cr2O7-2 -0.7 0 0 0 0
K+ SO4-2 Cr2O7-2 -0.7 0 0 0 0
Cu+2 Cl- SO4-2 0.01 0 0 0 0
Na+ Cl- MoO4-2 0.0032 0 0 0 0
-MU
CO2 CO2 CO2 0 0 0 0 0
CaCl2 CaCl2 CaCl2 0 0 0 0 0
H3PO4 H3PO4 H3PO4 0.0109 0 0 0 0
SiO2 SiO2 SiO2 0 0 0 0 0
CO2 CO2 SiO2 0 0 0 0 0
SiO2 SiO2 CO2 0 0 0 0 0
-ETA
PHASES
Albite
AlNaO8Si3 + 4 H+ = 1 Al+3 + 1 Na+ + 2 H2O + 3 SiO2
logk 2.8495
-analytical -42.136 -0.0137224 4440.75 13.7811 64.9546
Alunite
Al3H6KO14S2 + 6 H+ = 1 K+ + 2 SO4-2 + 3 Al+3 + 6 H2O
logk -2.4018
-analytical -681.181 -0.222279 25696 266.222 393.838
Amesite-7A
Al2H4Mg2O9Si + 10 H+ = 1 SiO2 + 2 Al+3 + 2 Mg+2 + 7 H2O
logk 39.1427
-analytical -414.29 -0.0953254 32230.7 151.016 499.288
Amesite-14A
Al4H8Mg4O18Si2 + 20 H+ = 2 SiO2 + 4 Al+3 + 4 Mg+2 + 14 H2O
logk 71.5387
-analytical -818.692 -0.189557 62349.9 298.04 965.637
Analcime
Al0.96H2Na0.96O7Si2.04 + 3.84 H+ = 0.96 Al+3 + 0.96 Na+ + 2.04 SiO2 + 2.92 H2O
logk 6.0057
-analytical -101.299 -0.0242806 7219.04 36.4798 109.295
Analcime-dehy
Al0.96Na0.96O6Si2.04 + 3.84 H+ = 0.96 Al+3 + 0.96 Na+ + 1.92 H2O + 2.04 SiO2
logk 12.3685
-analytical -41.2622 -0.000938825 8092.99 10.7925 123.08
Anhydrite
CaO4S = 1 Ca+2 + 1 SO4-2
logk -4.3193
-analytical 38.2552 -0.0229225 -2591.99 -10.9298 -42.4529
Antarcticite
CaCl2H12O6 = 1 Ca+2 + 2 Cl- + 6 H2O
logk 4.0875
Antigorite(am)
H4Mg3O9Si2 + 6 H+ = 2 SiO2 + 3 Mg+2 + 5 H2O
logk 34.5025
-analytical 4.04316 0.000142474 9281.38 -0.288954 144.809
Aragonite
CCaO3 + 1 H+ = 1 Ca+2 + 1 HCO3-
logk 1.9931
-analytical -149.329 -0.048043 4908.59 60.2804 75.0803
Arcanite
K2O4S = 1 SO4-2 + 2 K+
logk -1.7916
-analytical 14.1772 -0.0209474 -2912.86 0.0189941 -47.2865
Artinite
CH8Mg2O8 + 3 H+ = 1 HCO3- + 2 Mg+2 + 5 H2O
logk 19.656
-analytical -286.088 -0.0673406 15228.1 111.019 235.523
Barite
BaO4S = 1 Ba+2 + 1 SO4-2
logk -9.9711
-analytical -187.464 -0.0755196 2078.68 77.9943 29.4461
Beidellite-Mg
Al2.33H2Mg0.165O12Si3.67 + 7.32 H+ = 0.165 Mg+2 + 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O
logk 4.8971
-analytical -74.1724 -0.0371763 9405.62 23.6379 140.607
Beidellite-Ca
Al2.33Ca0.165H2O12Si3.67 + 7.32 H+ = 0.165 Ca+2 + 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O
logk 4.9352
-analytical -71.5416 -0.0370508 9159.38 22.909 136.785
Beidellite-K
Al2.33H2K0.33O12Si3.67 + 7.32 H+ = 0.33 K+ + 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O
logk 4.6522
-analytical -63.2861 -0.0350916 8389.36 20.2662 124.797
Beidellite-Na
Al2.33H2Na0.33O12Si3.67 + 7.32 H+ = 0.33 Na+ + 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O
logk 4.9911
-analytical -69.0165 -0.035417 8858.86 22.1215 132.092
Beidellite-H
Al2.33H2.33O12Si3.67 + 6.99 H+ = 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O
logk 3.9773
-analytical -62.6989 -0.0343559 8520.32 19.4903 126.89
Bischofite
Cl2H12MgO6 = 1 Mg+2 + 2 Cl- + 6 H2O
logk 4.357
-analytical -323.654 -0.0882897 9860.95 129.813 150.941
Bloedite
H8MgNa2O12S2 = 1 Mg+2 + 2 Na+ + 2 SO4-2 + 4 H2O
logk -2.3469
Boehmite
AlHO2 + 3 H+ = 1 Al+3 + 2 H2O
logk 8.6014
-analytical -122.486 -0.0303634 9223.23 44.127 143.158
Borax
B4H20Na2O17 + 2 H+ = 2 Na+ + 4 B(OH)3 + 5 H2O
logk 12.464
Boric_acid
BH3O3 = 1 B(OH)3
logk -0.0304
KB5O8:4H2O
B5H8KO12 + 1 H+ + 3 H2O = 1 K+ + 5 B(OH)3
logk 4.6715
K2B4O7:4H2O
B4H8K2O11 + 2 H+ + 1 H2O = 2 K+ + 4 B(OH)3
logk 13.9063
NaBO2:4H2O
BH8NaO6 + 1 H+ = 1 Na+ + 1 B(OH)3 + 3 H2O
logk 9.5682
NaB5O8:5H2O
B5H10NaO13 + 1 H+ + 2 H2O = 1 Na+ + 5 B(OH)3
logk 5.8951
NaBO2:NaCl:2H2O
BH4Na2O4Cl + 1 H+ = 2 Na+ + 1 B(OH)3 + 1 H2O + 1 Cl-
logk 10.8402
Brushite
CaH5PO6 = 1 Ca+2 + 1 HPO4-2 + 2 H2O
logk -6.7334
-analytical -262.806 -0.0876254 6120.43 105.732 92.5699
Burkeite
CNa6O11S2 + 1 H+ = 1 HCO3- + 2 SO4-2 + 6 Na+
logk 9.5671
CaBr2
CaBr2 = 1 Ca+2 + 2 Br-
logk 16.9439
-analytical -208.916 -0.0782624 9784.9 87.4264 149.795
Ca2Cl2(OH)2:H2O
Ca2Cl2H4O3 + 2 H+ = 2 Ca+2 + 2 Cl- + 3 H2O
logk 26.5313
Ca4Cl2(OH)6:13H2O
Ca4Cl2H32O19 + 6 H+ = 2 Cl- + 4 Ca+2 + 19 H2O
logk 68.7343
CaCl2
CaCl2 = 1 Ca+2 + 2 Cl-
logk 11.942
-analytical -210.02 -0.078342 8690.98 87.3438 132.783
CaCl2:2H2O
CaCl2H4O2 = 1 Ca+2 + 2 Cl- + 2 H2O
logk 8.1163
CaCl2:4H2O
CaCl2H8O4 = 1 Ca+2 + 2 Cl- + 4 H2O
logk 5.7588
CaI2
CaI2 = 1 Ca+2 + 2 I-
logk 21.6357
-analytical -210.665 -0.0790864 10785.1 88.7742 165.554
Calcite
CCaO3 + 1 H+ = 1 Ca+2 + 1 HCO3-
logk 1.8187
-analytical 81.4192 -0.00450092 -2718.66 -27.9245 -39.666
Ca(NO3)2
CaN2O6 = 1 Ca+2 + 2 NO3-
logk 5.5269
-analytical -199.442 -0.0734198 5401.66 84.3435 81.6669
Ca(NO3)2:2H2O
CaN2O8H4 = 1 Ca+2 + 2 NO3- + 2 H2O
logk 3.4941
-analytical -220.965 -0.0736462 4895.25 92.9336 73.7708
Ca(NO3)2:3H2O
CaN2O9H6 = 1 Ca+2 + 2 NO3- + 3 H2O
logk 2.5539
-analytical -234.344 -0.0737772 4935.91 97.9212 74.4102
Ca(NO3)2:4H2O
CaN2O10H8 = 1 Ca+2 + 2 NO3- + 4 H2O
logk 1.7958
-analytical -248.558 -0.0738614 5154.11 103.074 77.8166
Carnallite
Cl3H12KMgO6 = 1 K+ + 1 Mg+2 + 3 Cl- + 6 H2O
logk 4.2296
-analytical -262.031 -0.0773511 6959.18 107.466 104.27
Carobbite
KF = 1 K+ + 1 F-
logk 4.4286
-analytical -105.303 -0.0370254 3436.65 44.1403 52.1929
Celadonite
AlH2KMgO12Si4 + 6 H+ = 1 Al+3 + 1 K+ + 1 Mg+2 + 4 H2O + 4 SiO2
logk 7.8372
-analytical -95.5787 -0.0223224 7971.9 33.6327 118.516
Celestite
O4SSr = 1 SO4-2 + 1 Sr+2
logk -6.632
Chabazite
Al3.8Ca1.5Na0.2H20O34Si8.2K0.6 + 15.2 H+ = 0.2 Na+ + 1.5 Ca+2 + 3.8 Al+3 + 8.2 SiO2 + 17.6 H2O + 0.6 K+
logk 10.3714
-analytical -392.769 -0.0924726 25794.6 139.004 390.026
Chamosite-7A
Al2Fe2H4O9Si + 10 H+ = 1 SiO2 + 2 Al+3 + 2 Fe+2 + 7 H2O
logk 32.6174
-analytical -392.123 -0.0945596 29198.4 143.439 452.048
Chloromagnesite
MgCl2 = 1 Mg+2 + 2 Cl-
logk 21.8541
-analytical -236.465 -0.082065 13478.8 95.9947 207.374
Clinoptilolite
Al3.45Ba0.062Ca0.761Fe0.017H21.844K0.543Mg0.124Mn0.002Na0.954O46.922Si14.533Sr0.036 + 13.868 H+ = 0.002 Mn+2 + 0.017 Fe+3 + 0.036 Sr+2 + 0.062 Ba+2 + 0.124 Mg+2 + 0.543 K+ + 0.761 Ca+2 + 0.954 Na+ + 3.45 Al+3 + 14.533 SiO2 + 17.856 H2O
logk -8.4187
-analytical -240.855 -0.0839554 11360 88.5015 157.493
Clinoptilolite-dehy
Al3.45Ba0.062Ca0.761Fe0.017K0.543Mg0.124Mn0.002Na0.954O36Si14.533Sr0.036 + 13.868 H+ = 0.002 Mn+2 + 0.017 Fe+3 + 0.036 Sr+2 + 0.062 Ba+2 + 0.124 Mg+2 + 0.543 K+ + 0.761 Ca+2 + 0.954 Na+ + 3.45 Al+3 + 6.934 H2O + 14.533 SiO2
logk 27.2165
-analytical -91.1253 -0.054599 19452.9 27.8844 283.681
Clinoptilolite-Ca
Al3.45Ca1.7335Fe0.017H21.844O46.922Si14.533 + 13.868 H+ = 0.017 Fe+3 + 1.7335 Ca+2 + 3.45 Al+3 + 14.533 SiO2 + 17.856 H2O
logk -5.6428
-analytical -542.13 -0.2567 16525.8 225.188 237.803
Clinoptilolite-Cs
Al3.45Cs3.467Fe0.017H21.844O46.922Si14.533 + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Cs+ + 14.533 SiO2 + 17.856 H2O
logk -11.6912
-analytical -379.286 -0.22275 3484.79 170.518 34.1944
Clinoptilolite-K
Al3.45Fe0.017H21.844K3.467O46.922Si14.533 + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 K+ + 14.533 SiO2 + 17.856 H2O
logk -9.5819
-analytical -455.638 -0.237639 7364.34 198.765 95.0862
Clinoptilolite-NH4
Al3.45Fe0.017H35.712N3.467O46.922Si14.533 + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 NH4+ + 14.533 SiO2 + 17.856 H2O
logk -9.0742
Clinoptilolite-Na
Al3.45Fe0.017H21.844Na3.467O46.922Si14.533 + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Na+ + 14.533 SiO2 + 17.856 H2O
logk -5.7696
-analytical -529.859 -0.241795 13475.7 222.516 190.202
Clinoptilolite-Sr
Al3.45Fe0.017H21.844O46.922Si14.533Sr1.7335 + 13.868 H+ = 0.017 Fe+3 + 1.7335 Sr+2 + 3.45 Al+3 + 14.533 SiO2 + 17.856 H2O
logk -5.7825
-analytical -519.963 -0.251453 15480.8 216.957 221.374
Cristobalite(alpha)
O2Si = 1 SiO2
logk -3.1922
-analytical 38.7155 0.00745235 -2255.14 -14.7859 -36.3011
Cronstedtite-7A
Fe4H4O9Si + 10 H+ = 1 SiO2 + 2 Fe+2 + 2 Fe+3 + 7 H2O
logk 17.3756
-analytical -405.607 -0.0941652 24507.3 149.041 378.845
Cryolite
Na3AlF6 = 3 Na+ + 1 Al+3 + 6 F-
logk -32.4002
-analytical -772.506 -0.248156 15569.6 307.841 233.871
Daphnite-14A
Al2Fe5H8O18Si3 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Fe+2 + 12 H2O
logk 51.6383
-analytical -568.436 -0.135618 42817.7 208.839 660.843
Daphnite-7A
Al2Fe5H8O18Si3 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Fe+2 + 12 H2O
logk 55.0117
-analytical -579.983 -0.137356 44028.8 213.436 679.769
Dawsonite
AlCH2NaO5 + 3 H+ = 1 Al+3 + 1 HCO3- + 1 Na+ + 2 H2O
logk 3.6618
Dolomite
C2CaMgO6 + 2 H+ = 1 Ca+2 + 1 Mg+2 + 2 HCO3-
logk 2.5135
-analytical -317.797 -0.0981791 10844.2 126.559 166.1
Epsomite
H14MgO11S = 1 Mg+2 + 1 SO4-2 + 7 H2O
logk -1.9715
-analytical -384.068 -0.105253 10015.3 153.504 153.124
Erionite
Al4.2Ca0.9K1.5H26O49Si13.8Na0.9 + 16.8 H+ = 1.5 K+ + 4.2 Al+3 + 0.9 Ca+2 + 13.8 SiO2 + 21.4 H2O + 0.9 Na+
logk -4.8296
-analytical -259.453 -0.0619946 15676.1 88.9768 225.604
Ferroaluminoceladonite
AlH2KFeO12Si4 + 6 H+ = 1 Al+3 + 1 K+ + 1 Fe+2 + 4 H2O + 4 SiO2
logk 4.5745
-analytical 9.97245 -0.0127411 2585.51 -4.19655 34.2902
Ferroceladonite
Fe2H2KO12Si4 + 6 H+ = 1 Fe+3 + 1 K+ + 1 Fe+2 + 4 H2O + 4 SiO2
logk -3.0464
-analytical -14.4602 -0.0144572 921.605 5.06028 8.36248
Fe2(MoO4)3
Fe2Mo3O12 = 3 MoO4-2 + 2 Fe+3
logk -38.52
FeF3
F3Fe = 1 Fe+3 + 3 F-
logk -19.2386
-analytical -396.118 -0.12998 9355.66 155.261 141.448
Fe2(SO4)3
Fe2O12S3 = 2 Fe+3 + 3 SO4-2
logk 0.8936
-analytical -622.564 -0.239433 23842.5 248.433 362.754
Fluorapatite
Ca5FO12P3 + 3 H+ = 1 F- + 3 HPO4-2 + 5 Ca+2
logk -24.994
Fluorite
CaF2 = 1 Ca+2 + 2 F-
logk -10.0371
-analytical -250.379 -0.0841881 4952.95 100.542 74.3105
Gaylussite
C2CaH10Na2O11 + 2 H+ = 1 Ca+2 + 2 HCO3- + 2 Na+ + 5 H2O
logk 11.2576
Gibbsite
AlH3O3 + 3 H+ = 1 Al+3 + 3 H2O
logk 7.756
Glaserite
NaK3O8S2 = 1 Na+ + 2 SO4-2 + 3 K+
logk -3.8027
Glauberite
CaNa2O8S2 = 1 Ca+2 + 2 Na+ + 2 SO4-2
logk -5.1827
-analytical -1176.03 -0.333312 32591.3 469.138 525.037
Goethite
FeHO2 + 3 H+ = 1 Fe+3 + 2 H2O
logk 0.5347
-analytical -155.806 -0.0368941 7422.37 57.5611 115.082
Greenalite
Fe3H4O9Si2 + 6 H+ = 2 SiO2 + 3 Fe+2 + 5 H2O
logk 23.1624
-analytical -187.706 -0.0423382 14992.7 69.9696 230.237
Gypsum
CaH4O6S = 1 Ca+2 + 1 SO4-2 + 2 H2O
logk -4.5199
-analytical 595.025 0.130898 -18425.3 -233.081 -297.408
Halite
ClNa = 1 Cl- + 1 Na+
logk 1.5857
-analytical -109.351 -0.0373144 2470.11 45.9737 38.7981
Hematite
Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O
logk 0.1086
-analytical -270.261 -0.0637638 13829.8 98.1909 214.326
Hemihydrate
CaHO4.5S = 1 Ca+2 + 1 SO4-2 + 0.5 H2O
logk -3.7773
-analytical 81.5557 -0.00437956 -3026.76 -29.8462 -48.3568
Heulandite
Al2.165Ba0.065Ca0.585H12K0.132Na0.383O24Si6.835Sr0.175 + 8.66 H+ = 0.065 Ba+2 + 0.132 K+ + 0.175 Sr+2 + 0.383 Na+ + 0.585 Ca+2 + 2.165 Al+3 + 6.835 SiO2 + 10.33 H2O
logk 3.622
-analytical -200.737 -0.0583878 12103.4 73.142 178.964
Hexahydrite
H12MgO10S = 1 Mg+2 + 1 SO4-2 + 6 H2O
logk -1.6712
-analytical -364.044 -0.10209 10015.2 145.152 153.116
Huntite
C4CaMg3O12 + 4 H+ = 1 Ca+2 + 3 Mg+2 + 4 HCO3-
logk 10.301
-analytical -649.952 -0.196711 24813.1 256.858 380.841
Hydroxylapatite
Ca5HO13P3 + 4 H+ = 1 H2O + 3 HPO4-2 + 5 Ca+2
logk -3.0746
Hydromagnesite
C4H10Mg5O18 + 6 H+ = 4 HCO3- + 5 Mg+2 + 6 H2O
logk 30.8539
-analytical -792.808 -0.21448 36746.8 308.857 566.473
Illite
Al2.3H2K0.6Mg0.25O12Si3.5 + 8 H+ = 0.25 Mg+2 + 0.6 K+ + 2.3 Al+3 + 3.5 SiO2 + 5 H2O
logk 8.3706
-analytical -91.1618 -0.0407234 10315.7 31.1022 154.894
Jarosite
Fe3H6KO14S2 + 6 H+ = 1 K+ + 2 SO4-2 + 3 Fe+3 + 6 H2O
logk -9.3706
Jarosite-Na
Fe3H6NaO14S2 + 6 H+ = 1 Na+ + 2 SO4-2 + 3 Fe+3 + 6 H2O
logk -5.4482
K-Feldspar
AlKO8Si3 + 4 H+ = 1 Al+3 + 1 K+ + 2 H2O + 3 SiO2
logk -0.1903
-analytical -39.1881 -0.0160588 2780.73 13.8944 39.2611
K2CO3
K2CO3 + 1 H+ = 2 K+ + 1 HCO3-
logk 15.3005
-analytical -111.85 -0.0390095 5207.73 49.0185 79.8423
K2CO3:1.5H2O
CH3K2O4.5 + 1 H+ = 1 HCO3- + 1.5 H2O + 2 K+
logk 13.372
K2O
K2O + 2 H+ = 2 K+ + 1 H2O
logk 83.9772
-analytical -28.8514 -0.00693573 23635 14.3929 368.44
K2Si4O9
K2Si4O9 + 2 H+ = 2 K+ + 4 SiO2 + 1 H2O
logk 14.5138
-analytical 131.573 0.0212645 -2762.32 -46.1627 -48.077
K3H(SO4)2
HK3O8S2 = 1 H+ + 2 SO4-2 + 3 K+
logk -3.5425
K8H4(CO3)6:3H2O
C6H10K8O21 + 2 H+ = 3 H2O + 6 HCO3- + 8 K+
logk 27.6874
Kainite
ClH6KMgO7S = 1 Cl- + 1 K+ + 1 Mg+2 + 1 SO4-2 + 3 H2O
logk -0.1926
KAlCl4
KAlCl4 = 1 K+ + 1 Al+3 + 4 Cl-
logk 34.4833
-analytical -428.057 -0.162067 21877.4 176.765 335.659
K2HPO4
K2HPO4 = 2 K+ + 1 HPO4-2
logk 3.0685
-analytical -195.505 -0.0755722 5083.55 82.4484 76.5202
K3AlCl6
K3AlCl6 = 3 K+ + 1 Al+3 + 6 Cl-
logk 31.6052
-analytical -608.409 -0.231678 22951.9 255.404 349.726
K3AlF6
K3AlF6 = 3 K+ + 1 Al+3 + 6 F-
logk -24.8505
-analytical -716.589 -0.244902 14448.8 289.423 216.605
K3PO4
K3PO4 + 1 H+ = 3 K+ + 1 HPO4-2
logk 13.592
-analytical -196.721 -0.0768887 7288.22 84.361 110.711
Kalicinite
CHKO3 = 1 HCO3- + 1 K+
logk 0.2814
KAl(SO4)2
KAlS2O8 = 1 K+ + 1 Al+3 + 2 SO4-2
logk 2.6929
-analytical -426.225 -0.162245 14916.3 172.632 226.639
KAl(SO4)2:3H2O
KAlS2H6O11 = 1 K+ + 1 Al+3 + 2 SO4-2 + 3 H2O
logk -1.3959
-analytical -459.007 -0.162612 13804.4 185.779 209.3
KAl(SO4)2:12H2O
KAlS2H24O20 = 1 K+ + 1 Al+3 + 2 SO4-2 + 12 H2O
logk -6.9137
-analytical -931.403 -0.269691 23122.4 374.73 354.751
Kaolinite
Al2H4O9Si2 + 6 H+ = 2 Al+3 + 2 SiO2 + 5 H2O
logk 5.9539
-analytical -203.122 -0.0520307 13011.9 73.098 199.397
KBr
KBr = 1 K+ + 1 Br-
logk 1.0666
-analytical -81.8576 -0.0334454 731.358 36.5428 10.0411
KClO4
KClO4 = 1 K+ + 1 ClO4-
logk -1.6258
-analytical -81.9695 -0.0313607 -523.872 36.9517 -9.30192
KH2PO4
KH2PO4 = 1 K+ + 1 H+ + 1 HPO4-2
logk -7.7296
-analytical -187.562 -0.0718743 2493.12 77.9413 36.2576
KI
KI = 1 K+ + 1 I-
logk 1.9904
-analytical -83.203 -0.033878 862.419 37.3349 12.1618
Kieserite
H2MgO5S = 1 H2O + 1 Mg+2 + 1 SO4-2
logk -0.0239
-analytical -257.978 -0.0857205 8476.33 103.067 129.075
KMgCl3:2H2O
Cl3H4KMgO2 = 1 K+ + 1 Mg+2 + 2 H2O + 3 Cl-
logk 13.9755
KNaCO3:6H2O
CH12KNaO9 + 1 H+ = 1 HCO3- + 1 K+ + 1 Na+ + 6 H2O
logk 10.2233
KOH
KOH + 1 H+ = 1 K+ + 1 H2O
logk 24.6647
-analytical -23.3935 -0.0050498 6860.47 10.7295 106.872
Labile_Salt
Na2Ca5S6O27H6 = 2 Na+ + 5 Ca+2 + 6 SO4-2 + 3 H2O
logk 8.4195
-analytical 38460 10.6799 -1.03009e+006 -15428.3 -16485.5
Lansfordite
CH10MgO8 + 1 H+ = 1 HCO3- + 1 Mg+2 + 5 H2O
logk 4.8409
Laumontite
Al4Na0.2H16K0.2O32Si8Ca1.8 + 16 H+ = 1.8 Ca+2 + 4 Al+3 + 0.2 K+ + 8 SiO2 + 16 H2O + 0.2 Na+
logk 14.2657
-analytical -427.311 -0.106284 28437.6 152.618 431.152
Leonhardtite
MgSO8H8 = 1 Mg+2 + 1 SO4-2 + 4 H2O
logk -1.0359
-analytical -321.17 -0.095544 9319.98 128.236 142.257
Leonite
H8K2MgO12S2 = 1 Mg+2 + 2 K+ + 2 SO4-2 + 4 H2O
logk -3.979
Lime
CaO + 2 H+ = 1 Ca+2 + 1 H2O
logk 32.5761
-analytical -72.6693 -0.0176566 12198.2 28.1225 189.89
Magnesite
CMgO3 + 1 H+ = 1 HCO3- + 1 Mg+2
logk 2.2936
-analytical -166.64 -0.0494695 6433.95 65.501 98.7795
Magnetite
Fe3O4 + 8 H+ = 1 Fe+2 + 2 Fe+3 + 4 H2O
logk 10.4724
-analytical -354.562 -0.0832123 20709.8 129.461 321.141
Maximum_Microcline
AlKO8Si3 + 4 H+ = 1 Al+3 + 1 K+ + 2 H2O + 3 SiO2
logk -0.1903
-analytical -22.7208 -0.0123868 2277.5 7.47861 31.3282
Mercallite
HKO4S = 1 H+ + 1 K+ + 1 SO4-2
logk -1.4015
Mesolite
Al1.99Ca0.657H5.294Na0.676O12.647Si3.01 + 7.96 H+ = 0.657 Ca+2 + 0.676 Na+ + 1.99 Al+3 + 3.01 SiO2 + 6.627 H2O
logk 13.029
-analytical -288.55 -0.0715675 17625.2 106.569 269.563
MgBr2
MgBr2 = 1 Mg+2 + 2 Br-
logk 27.6871
-analytical -222.676 -0.0788434 14476 91.0389 222.884
MgCl2:H2O
MgCl2H2O = 1 Mg+2 + 2 Cl- + 1 H2O
logk 16.1034
-analytical -251.326 -0.0834369 12045.1 101.785 184.998
MgCl2:2H2O
MgCl2H4O2 = 1 Mg+2 + 2 Cl- + 2 H2O
logk 12.75
-analytical -264.212 -0.0843976 11198.5 106.901 171.793
MgCl2:4H2O
MgCl2H8O4 = 1 Mg+2 + 2 Cl- + 4 H2O
logk 7.3158
-analytical -292.065 -0.0863525 9957.61 117.879 152.44
MgI2
MgI2 = 1 Mg+2 + 2 I-
logk 34.442
-analytical -224.276 -0.0796544 16045.5 92.3869 247.526
MgMoO4
MgMoO4 = 1 Mg+2 + 1 MoO4-2
logk -0.629
-analytical -256.115 -0.0850102 8858.39 101.467 135.248
Mg(NO3)2
MgN2O6 = 1 Mg+2 + 2 NO3-
logk 15.1741
-analytical -220.129 -0.0753944 9766.18 90.9228 149.625
MgOHCl
ClHMgO + 1 H+ = 1 Cl- + 1 H2O + 1 Mg+2
logk 15.937
-analytical -172.644 -0.0513614 10516.4 68.1342 162.333
MgSO4
MgSO4 = 1 Mg+2 + 1 SO4-2
logk 4.8599
-analytical -235.402 -0.0823751 9624.62 93.9569 146.985
Minnesotaite
Fe3H2O12Si4 + 6 H+ = 3 Fe+2 + 4 H2O + 4 SiO2
logk 15.0002
-analytical -87.5504 -0.0243312 9515.69 31.4318 142.459
Mirabilite
H20Na2O14S = 1 SO4-2 + 2 Na+ + 10 H2O
logk -1.2185
-analytical 28437.8 8.55876 -735896 -11526.8 -11945
Misenite
H6K8O28S7 = 6 H+ + 7 SO4-2 + 8 K+
logk -10.8061
Molysite
Cl3Fe = 1 Fe+3 + 3 Cl-
logk 13.5217
-analytical -359.51 -0.127377 15532.8 145.021 238.032
Montmorillonite-H
Al1.67Mg0.33O12Si4H2.33 + 5.67 H+ = 0.33 Mg+2 + 4 SiO2 + 1.67 Al+3 + 4 H2O
logk 1.4445
-analytical -5.475 -0.0180293 4485.71 -1.15793 63.8907
Montmorillonite-Na
Al1.67Mg0.33O12Si4H2Na0.33 + 6 H+ = 0.33 Mg+2 + 4 SiO2 + 1.67 Al+3 + 4 H2O + 0.33 Na+
logk 2.4583
-analytical -11.7311 -0.0190783 4822.23 1.44975 69.061
Montmorillonite-K
Al1.67Mg0.33O12Si4H2K0.33 + 6 H+ = 0.33 Mg+2 + 4 SiO2 + 1.67 Al+3 + 4 H2O + 0.33 K+
logk 2.1194
-analytical -5.91544 -0.0187375 4349.68 -0.437789 61.7181
Montmorillonite-Ca
Al1.67Mg0.33O12Si4H2Ca0.165 + 6 H+ = 0.33 Mg+2 + 4 SiO2 + 1.67 Al+3 + 4 H2O + 0.165 Ca+2
logk 2.4024
-analytical -14.2327 -0.0207093 5121.69 2.2288 73.7363
Montmorillonite-Mg
Al1.67Mg0.495O12Si4H2 + 6 H+ = 0.495 Mg+2 + 4 SiO2 + 1.67 Al+3 + 4 H2O
logk 2.3643
-analytical -16.8393 -0.0208289 5367.19 2.94824 77.5495
Mordenite
Al0.94Ca0.2895H6.936Na0.361O15.468Si5.06 + 3.76 H+ = 0.2895 Ca+2 + 0.361 Na+ + 0.94 Al+3 + 5.06 SiO2 + 5.348 H2O
logk -4.5423
-analytical -7.70644 -0.00723919 886.672 0.898215 7.13797
NaBr
BrNa = 1 Br- + 1 Na+
logk 2.9204
-analytical -99.9637 -0.0344769 2469.74 42.3765 37.0884
NaClO4
NaClO4 = 1 Na+ + 1 ClO4-
logk 2.835
-analytical -99.0835 -0.0320422 1973.68 42.3667 29.5879
NaI
NaI = 1 I- + 1 Na+
logk 5.1306
-analytical -101.21 -0.0349104 2993.79 43.1159 45.3437
NaNO2
NaNO2 = 1 Na+ + 1 NO2-
logk 0.7016
-analytical -104.952 -0.0349199 1925.99 44.2863 28.6574
NaOH
NaOH + 1 H+ = 1 Na+ + 1 H2O
logk 20.905
-analytical -45.0002 -0.006464 6987.09 17.9401 108.752
Na2CO3:7H2O
CH14Na2O10 + 1 H+ = 1 HCO3- + 2 Na+ + 7 H2O
logk 9.8791
Na2CrO4
Na2CrO4 = 2 Na+ + 1 CrO4-2
logk 3.5616
-analytical -204.311 -0.0723054 5715.26 84.9547 86.1783
Na2MoO4
Na2MoO4 = 2 Na+ + 1 MoO4-2
logk 1.2688
-analytical -230.053 -0.074205 6098.8 94.1412 92.2479
Na2O
Na2O + 2 H+ = 2 Na+ + 1 H2O
logk 66.8982
-analytical -68.4307 -0.00968139 20906.7 27.514 325.733
Na2SO4(Sol-3)
Na2O4S = 1 SO4-2 + 2 Na+
logk -0.0439
-analytical -214.407 -0.0737189 5228.49 88.4075 78.5437
Na3H(SO4)2
HNa3O8S2 = 1 H+ + 2 SO4-2 + 3 Na+
logk -0.8143
Kogarkoite
Na3FSO4 = 3 Na+ + 1 SO4-2 + 1 F-
logk -2.0247
-analytical -346.388 -0.114175 8087.89 141.934 121.604
Na4Ca(SO4)3:2H2O
CaH4Na4O14S3 = 1 Ca+2 + 2 H2O + 3 SO4-2 + 4 Na+
logk -5.6723
Nahcolite
CHNaO3 = 1 HCO3- + 1 Na+
logk -0.7061
-analytical -126.649 -0.0375254 2376.99 52.1891 35.7544
Natrite
Na2CO3 + 1 H+ = 2 Na+ + 1 HCO3-
logk 10.984
-analytical -153.713 -0.0421446 6497.79 62.8199 99.786
Natron
CH20Na2O13 + 1 H+ = 1 HCO3- + 2 Na+ + 10 H2O
logk 9.5145
Natrolite
Al2H4Na2O12Si3 + 8 H+ = 2 Al+3 + 2 Na+ + 3 SiO2 + 6 H2O
logk 17.9209
-analytical -260.613 -0.0605425 17595.7 95.9672 269.131
Nesquehonite
CH6MgO6 + 1 H+ = 1 HCO3- + 1 Mg+2 + 3 H2O
logk 4.9955
-analytical -973.21 -0.199929 33093.3 374.694 527.872
NH4Cl
NH4Cl = 1 NH4+ + 1 Cl-
logk 1.3355
-analytical -110.674 -0.0397043 1904.08 47.4624 28.4331
NH4ClO4
NH4ClO4 = 1 NH4+ + 1 ClO4-
logk -0.1071
-analytical -101.387 -0.0324767 1029.37 43.4417 14.9483
NH4I
NH4I = 1 NH4+ + 1 I-
logk 3.4008
-analytical -99.2224 -0.0362741 1799.99 43.3972 26.8649
(NH4)2SO4
N2H8SO4 = 2 NH4+ + 1 SO4-2
logk 0.3081
-analytical -212.438 -0.0759948 4570.8 88.9218 68.5163
Niter
KNO3 = 1 K+ + 1 NO3-
logk -0.2344
-analytical -76.0784 -0.0312641 -137.446 34.5969 -3.39538
Nontronite-Mg
Al0.33Fe2H2Mg0.165O12Si3.67 + 7.32 H+ = 0.165 Mg+2 + 0.33 Al+3 + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O
logk -11.1382
-analytical -123.074 -0.0406227 5836.33 42.1746 84.9876
Nontronite-Ca
Al0.33Ca0.165Fe2H2O12Si3.67 + 7.32 H+ = 0.165 Ca+2 + 0.33 Al+3 + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O
logk -11.1001
-analytical -120.485 -0.0405049 5591.73 41.4613 81.1889
Nontronite-K
Al0.33Fe2H2K0.33O12Si3.67 + 7.32 H+ = 0.33 Al+3 + 0.33 K+ + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O
logk -11.3831
-analytical -112.234 -0.0385467 4822.37 38.8194 69.2107
Nontronite-Na
Al0.33Fe2H2Na0.33O12Si3.67 + 7.32 H+ = 0.33 Al+3 + 0.33 Na+ + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O
logk -11.0442
-analytical -117.972 -0.0388729 5291.3 40.6788 76.4989
Nontronite-H
Al0.33Fe2H2.33O12Si3.67 + 6.99 H+ = 0.33 Al+3 + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O
logk -12.766
Oxychloride-Mg
ClH11Mg2O7 + 3 H+ = 1 Cl- + 2 Mg+2 + 7 H2O
logk 26.0297
Pentahydrite
MgSO9H10 = 1 Mg+2 + 1 SO4-2 + 5 H2O
logk -1.4274
-analytical -342.214 -0.0987946 9568.38 136.637 146.138
Pentasalt
K2Ca5S6O25H2 = 2 K+ + 5 Ca+2 + 6 SO4-2 + 1 H2O
logk -24.5549
-analytical -3392.14 -0.920064 96302.2 1341.02 1516.11
Periclase
MgO + 2 H+ = 1 H2O + 1 Mg+2
logk 21.3354
-analytical -88.4517 -0.0183922 10413.8 32.4644 161.938
Phillipsite
Al3.6K0.7H25.2Na0.7O44.6Si12.4Ca1.1 + 14.4 H+ = 1.1 Ca+2 + 3.6 Al+3 + 0.7 K+ + 12.4 SiO2 + 19.8 H2O + 0.7 Na+
logk -6.7617
-analytical -231.538 -0.0535576 13553.9 78.7908 194.565
Picromerite
H12K2MgO14S2 = 1 Mg+2 + 2 K+ + 2 SO4-2 + 6 H2O
logk -4.3277
Pirssonite
C2CaH4Na2O8 + 2 H+ = 1 Ca+2 + 2 H2O + 2 HCO3- + 2 Na+
logk 11.4354
Polyhalite
Ca2H4K2MgO18S4 = 1 Mg+2 + 2 Ca+2 + 2 H2O + 2 K+ + 4 SO4-2
logk -13.7441
Portlandite
CaH2O2 + 2 H+ = 1 Ca+2 + 2 H2O
logk 22.5444
-analytical -73.2644 -0.016935 8931.3 28.6505 138.93
Pyrolusite
MnO2 + 4 H+ + 2 e- = 1 Mn+2 + 2 H2O
logk 42.0291
-analytical -106.219 -0.0206254 15716.4 41.09 245.066
Pyrophyllite
Al2H2O12Si4 + 6 H+ = 2 Al+3 + 4 H2O + 4 SiO2
logk 0.0967
-analytical -103.794 -0.0343486 8115.34 35.0785 120.666
Quartz
O2Si = 1 SiO2
logk -3.7501
-analytical 37.4476 0.00715916 -2409.12 -14.2549 -38.712
Ripidolite-7A
Al2Fe2H8Mg3O18Si3 + 16 H+ = 2 Al+3 + 2 Fe+2 + 3 Mg+2 + 3 SiO2 + 12 H2O
logk 62.5511
-analytical -403.178 -0.110363 40665.9 146.332 626.677
Ripidolite-14A
Al2Fe2H8Mg3O18Si3 + 16 H+ = 2 Al+3 + 2 Fe+2 + 3 Mg+2 + 3 SiO2 + 12 H2O
logk 59.1778
-analytical -409.603 -0.110945 40146.1 148.341 618.583
Saponite-H
Al0.33H2.33Mg3O12Si3.67 + 6.99 H+ = 0.33 Al+3 + 3 Mg+2 + 3.67 SiO2 + 4.66 H2O
logk 26.0453
-analytical -102.844 -0.0289635 14319 36.122 217.242
Saponite-Na
Al0.33H2Mg3Na0.33O12Si3.67 + 7.32 H+ = 0.33 Al+3 + 0.33 Na+ + 3 Mg+2 + 3.67 SiO2 + 4.66 H2O
logk 27.0591
-analytical -109.019 -0.0299953 14652.3 38.6992 222.363
Saponite-K
Al0.33H2K0.33Mg3O12Si3.67 + 7.32 H+ = 0.33 Al+3 + 0.33 K+ + 3 Mg+2 + 3.67 SiO2 + 4.66 H2O
logk 26.7202
-analytical -103.316 -0.0296781 14184 36.8544 215.084
Saponite-Ca
Al0.33Ca0.165H2Mg3O12Si3.67 + 7.32 H+ = 0.165 Ca+2 + 0.33 Al+3 + 3 Mg+2 + 3.67 SiO2 + 4.66 H2O
logk 27.0032
-analytical -111.543 -0.0316298 14953.5 39.4852 227.066
Saponite-Mg
Al0.33H2Mg3.165O12Si3.67 + 7.32 H+ = 0.33 Al+3 + 3.165 Mg+2 + 3.67 SiO2 + 4.66 H2O
logk 26.9651
-analytical -114.362 -0.0318084 15195.8 40.3021 230.828
Scolecite
Al2CaH6O13Si3 + 8 H+ = 1 Ca+2 + 2 Al+3 + 3 SiO2 + 7 H2O
logk 15.2772
-analytical -306.272 -0.0778402 19236.3 113.211 294.689
Sellaite
F2Mg = 1 Mg+2 + 2 F-
logk -9.3939
-analytical -272.983 -0.0864825 6936.96 107.523 105.155
Sepiolite
H14Mg4O23Si6 + 8 H+ = 4 Mg+2 + 6 SiO2 + 11 H2O
logk 30.4439
-analytical 645.753 0.123088 -12819.1 -246.225 -212.722
Sepiolite(am)
H14Mg4O23Si6 + 8 H+ = 4 Mg+2 + 6 SiO2 + 11 H2O
logk 37.56
Palygorskite
H18Mg2.84O30Si7.73Al1.8 + 11.08 H+ = 2.84 Mg+2 + 7.73 SiO2 + 14.54 H2O + 1.8 Al+3
logk 26.4078
SiO2(am)
O2Si = 1 SiO2
logk -2.7136
-analytical 119.521 0.0216204 -5003.03 -45.2365 -79.6958
Smectite-high-Fe-Mg
Al1.25Na0.1O12Ca0.025Mg1.15Fe0.7Si3.5K0.2H2 + 8 H+ = 0.025 Ca+2 + 0.1 Na+ + 0.2 Fe+3 + 0.2 K+ + 0.5 Fe+2 + 1.15 Mg+2 + 1.25 Al+3 + 3.5 SiO2 + 5 H2O
logk 17.4595
-analytical -120.561 -0.040678 13637.1 42.1483 206.65
Smectite-low-Fe-Mg
Al1.25Ca0.02Fe0.45H2K0.2Mg0.9Na0.15O12Si3.75 + 7 H+ = 0.02 Ca+2 + 0.15 Na+ + 0.16 Fe+3 + 0.2 K+ + 0.29 Fe+2 + 0.9 Mg+2 + 1.25 Al+3 + 3.75 SiO2 + 4.5 H2O
logk 11.1541
-analytical -67.7478 -0.0292278 9381.15 22.6458 140.224
Soda_Niter
NaNO3 = 1 NO3- + 1 Na+
logk 1.0915
-analytical -50.0994 -0.0220762 -2.0548 23.3421 -0.0171532
Strontianite
CO3Sr + 1 H+ = 1 HCO3- + 1 Sr+2
logk -0.3137
-analytical -135.757 -0.0448838 3572.56 55.2929 54.1777
SrBr2
SrBr2 = 1 Sr+2 + 2 Br-
logk 12.8191
-analytical -196.207 -0.0751381 8035.5 82.6175 122.422
SrCl2
SrCl2 = 1 Sr+2 + 2 Cl-
logk 8.1397
-analytical -209.915 -0.0784405 7357.76 87.5837 111.899
SrF2
SrF2 = 1 Sr+2 + 2 F-
logk -6.5188
-analytical -243.668 -0.0825289 5654.34 98.1007 85.1706
SrI2
SrI2 = 1 Sr+2 + 2 I-
logk 19.2679
-analytical -198.847 -0.076178 9586 84.3157 146.773
SrMoO4
SrMoO4 = 1 Sr+2 + 1 MoO4-2
logk -6.4216
-analytical -227.719 -0.0812871 4822.32 92.6735 72.3052
SrO
SrO + 2 H+ = 1 Sr+2 + 1 H2O
logk 41.9787
-analytical -62.5567 -0.01527 14576.8 24.323 226.907
Sr(OH)2
SrO2H2 + 2 H+ = 1 Sr+2 + 2 H2O
logk 27.5229
-analytical -87.6211 -0.018271 10820.7 34.0634 168.305
Stellerite
Al4Ca2H28O50Si14 + 16 H+ = 2 Ca+2 + 4 Al+3 + 22 H2O + 14 SiO2
logk -8.7844
-analytical -271.187 -0.0664942 16345.6 91.7545 235.931
Stilbite
Al2.18Ca1.019H14.66K0.006Na0.136O25.33Si6.82 + 8.72 H+ = 0.006 K+ + 0.136 Na+ + 1.019 Ca+2 + 2.18 Al+3 + 6.82 SiO2 + 11.69 H2O
logk 1.3118
-analytical -212.595 -0.0562391 12015.4 76.8614 177.716
Sylvite
ClK = 1 Cl- + 1 K+
logk 0.9148
-analytical -48.8224 -0.02655 -209.296 23.579 -4.24164
Syngenite
CaH2K2O9S2 = 1 Ca+2 + 1 H2O + 2 K+ + 2 SO4-2
logk -7.2618
-analytical -854.406 -0.2438 22047.4 341.811 349.474
Tachyhydrite
CaCl6H24Mg2O12 = 1 Ca+2 + 2 Mg+2 + 6 Cl- + 12 H2O
logk 17.3839
Talc
H2Mg3O12Si4 + 6 H+ = 3 Mg+2 + 4 H2O + 4 SiO2
logk 22.1646
-analytical -121.962 -0.0258707 13192.9 43.4337 199.721
Thenardite
Na2O4S = 1 SO4-2 + 2 Na+
logk -0.2547
-analytical -216.072 -0.0708355 5537.18 88.2498 90.2371
Thermonatrite
CH2Na2O4 + 1 H+ = 1 H2O + 1 HCO3- + 2 Na+
logk 10.7669
Trona
C2H5Na3O8 + 1 H+ = 2 H2O + 2 HCO3- + 3 Na+
logk 9.2948
Trona-K
C2H5K2NaO8 + 1 H+ = 1 Na+ + 2 H2O + 2 HCO3- + 2 K+
logk 11.5757
Villiaumite
NaF = 1 Na+ + 1 F-
logk -0.2538
-analytical -123.927 -0.0381649 3160.69 50.2853 47.8165
Whitlockite
Ca3O8P2 + 2 H+ = 2 HPO4-2 + 3 Ca+2
logk -4.2249
Brucite
H2MgO2 + 2 H+ = 1 Mg+2 + 2 H2O
logk 17.1
Chromium
Cr = 1 Cr+3 + 3 e-
logk 36.1367
Eskolaite
Cr2O3 + 6 H+ = 3 H2O + 2 Cr+3
logk 8.52
Cr(OH)3(am)
CrO3H3 + 3 H+ = 1 Cr+3 + 3 H2O
logk 9.35
CrCl3:6H2O
CrCl3O6H12 = 1 Cr+3 + 3 Cl- + 6 H2O
logk 5.906
CrF3
CrF3 = 1 Cr+3 + 3 F-
logk -9.0957
-analytical -403.567 -0.131794 13130.8 157.472 200.362
KFe3(CrO4)2(OH)6
Cr2O14H6KFe3 + 6 H+ = 2 CrO4-2 + 1 K+ + 3 Fe+3 + 6 H2O
logk -18.4
Na2CrO4:4H2O
CrNa2O8H8 = 1 CrO4-2 + 2 Na+ + 4 H2O
logk 1.01
Tarapacaite
CrK2O4 = 1 CrO4-2 + 2 K+
logk 0.0408
Lopezite
Cr2K2O7 + 1 H2O = 2 CrO4-2 + 2 K+ + 2 H+
logk -16.066
CrO3
CrO3 + 1 H2O = 1 CrO4-2 + 2 H+
logk -3.2201
-analytical -128.362 -0.062213 2041.66 55.2881 29.3875
CuCr2O4
Cr2CuO4 + 8 H+ = 1 Cu+2 + 2 Cr+3 + 4 H2O
logk 20.14
Copper
Cu = 1 Cu+2 + 2 e-
logk -11.4902
-analytical -70.1074 -0.0181655 295.75 25.4734 3.79609
CuCl2:2H2O
Cl2H4CuO2 = 1 Cu+2 + 2 Cl- + 2 H2O
logk 1.9413
CuSO4:5H2O
SH10CuO9 = 1 Cu+2 + 1 SO4-2 + 5 H2O
logk -2.646
CuSO4.Na2SO4:2H2O
S2H4CuO10Na2 = 1 Cu+2 + 2 SO4-2 + 2 H2O + 2 Na+
logk -3.917
CuSO4.K2SO4:6H2O
S2H12CuO14K2 = 1 Cu+2 + 2 SO4-2 + 6 H2O + 2 K+
logk -5.759
Cu3(PO4)2
Cu3O8P2 + 2 H+ = 2 HPO4-2 + 3 Cu+2
logk -12.2247
Iron
Fe = 1 Fe+2 + 2 e-
logk 16.0308
-analytical -61.4832 -0.0180471 8161.48 22.4334 126.503
Fe(OH)2
FeH2O2 + 2 H+ = 1 Fe+2 + 2 H2O
logk 13.8214
-analytical -93.2809 -0.0196505 7765.12 35.1221 120.7
Fe(OH)3
FeH3O3 + 3 H+ = 1 Fe+3 + 3 H2O
logk 4.1
Siderite
CFeO3 + 1 H+ = 1 Fe+2 + 1 HCO3-
logk -0.192
-analytical -159.192 -0.0491676 5475.43 62.7493 83.8344
FeF2
F2Fe = 1 Fe+2 + 2 F-
logk -1.432
-analytical -258.724 -0.0847399 8751.77 102.309 133.523
FeO
FeO + 2 H+ = 1 Fe+2 + 1 H2O
logk 13.5318
-analytical -77.9861 -0.0180652 7664.02 28.7697 119.069
FeSO4
FeO4S = 1 Fe+2 + 1 SO4-2
logk 1.9396
-analytical -218.679 -0.0801956 8107.57 87.8133 123.432
Melanterite
FeO11SH14 = 1 Fe+2 + 1 SO4-2 + 7 H2O
logk -2.209
Ferrite-Ca
CaFe2O4 + 8 H+ = 1 Ca+2 + 2 Fe+3 + 4 H2O
logk 21.5945
-analytical -335.289 -0.0794065 22744.2 122.952 352.968
Ferrite-Cu
CuFe2O4 + 8 H+ = 1 Cu+2 + 2 Fe+3 + 4 H2O
logk 9.5266
-analytical -363.028 -0.0834245 20712.7 132.523 321.231
Ferrite-Dicalcium
Ca2Fe2O5 + 10 H+ = 2 Ca+2 + 2 Fe+3 + 5 H2O
logk 56.8114
-analytical -412.555 -0.0984499 35896.9 152.873 557.792
Ferrite-Mg
Fe2MgO4 + 8 H+ = 1 Mg+2 + 2 Fe+3 + 4 H2O
logk 20.9808
-analytical -356.219 -0.0809191 24193.9 129.379 375.5
Ferrite-Ni
NiFe2O4 + 8 H+ = 1 Ni+2 + 2 Fe+3 + 4 H2O
logk 9.7959
-analytical -347.865 -0.083186 20253.9 127.096 313.981
Ferrite-Zn
Fe2O4Zn + 8 H+ = 1 Zn+2 + 2 Fe+3 + 4 H2O
logk 11.7342
Hausmannite
Mn3O4 + 8 H+ = 1 Mn+2 + 2 Mn+3 + 4 H2O
logk 11.6746
-analytical -335.335 -0.0797562 21018.2 121.342 325.932
Hydrozincite
C2H6O12Zn5 + 8 H+ = 2 HCO3- + 5 Zn+2 + 6 H2O
logk 30.3076
Lawrencite
Cl2Fe = 1 Fe+2 + 2 Cl-
logk 9.0646
-analytical -225.762 -0.0814275 9178.47 92.2536 140.307
Cobalt
Co = 1 Co+2 + 2 e-
logk 9.5288
Co(OH)2
CoH2O2 + 2 H+ = 1 Co+2 + 2 H2O
logk 13.0671
-analytical -88.2631 -0.0186574 7545.06 32.9678 117.225
Co2SiO4
Co2O4Si + 4 H+ = 1 SiO2 + 2 Co+2 + 2 H2O
logk 6.6808
Co3(PO4)2
Co3O8P2 + 2 H+ = 2 HPO4-2 + 3 Co+2
logk -10.0123
CoCl2
Cl2Co = 1 Co+2 + 2 Cl-
logk 8.2904
-analytical -221.121 -0.0801568 8799.84 90.4252 134.445
CoCl2:2H2O
Cl2CoH4O2 = 1 Co+2 + 2 Cl- + 2 H2O
logk 4.6661
CoCl2:6H2O
Cl2CoH12O6 = 1 Co+2 + 2 Cl- + 6 H2O
logk 2.6033
CoCr2O4
Cr2CoO4 + 8 H+ = 1 Co+2 + 2 Cr+3 + 4 H2O
logk 15.0442
-analytical -345.313 -0.0828394 22711.8 124.812 352.337
CoF2
CoF2 = 1 Co+2 + 2 F-
logk -1.5187
-analytical -261.172 -0.0855105 8814.7 103.271 134.511
CoFe2O4
CoFe2O4 + 8 H+ = 1 Co+2 + 2 Fe+3 + 4 H2O
logk 10.0104
-analytical -359.482 -0.0847019 20752.4 131.385 321.806
CoHPO4
CoHO4P = 1 Co+2 + 1 HPO4-2
logk -6.7223
CoO
CoO + 2 H+ = 1 Co+2 + 1 H2O
logk 13.5557
-analytical -77.6767 -0.0182812 7635.76 28.7184 118.603
CoSO4:3Co(OH)2
Co4H6O10S + 6 H+ = 1 SO4-2 + 4 Co+2 + 6 H2O
logk 33.2193
CoSO4:6H2O
CoH12O10S = 1 Co+2 + 1 SO4-2 + 6 H2O
logk -2.3512
Bieberite
CoH14O11S = 1 Co+2 + 1 SO4-2 + 7 H2O
logk -2.5051
Malachite
CCu2H2O5 + 3 H+ = 1 HCO3- + 2 Cu+2 + 2 H2O
logk 5.9399
-analytical -271.871 -0.0694553 11450.8 105.106 176.606
Mg2(OH)3Cl:4H2O
H11Mg2O7Cl + 3 H+ = 2 Mg+2 + 7 H2O + 1 Cl-
logk 26
Manganite
HMnO2 + 3 H+ = 1 Mn+3 + 2 H2O
logk 0.3485
Manganosite
MnO + 2 H+ = 1 H2O + 1 Mn+2
logk 18.3638
-analytical -83.7781 -0.0184898 8817.86 31.5504 137.094
Manganese
Mn = 1 Mn+2 + 2 e-
logk 40.3883
Mn(OH)2(am)
H2MnO2 + 2 H+ = 1 Mn+2 + 2 H2O
logk 15.75
Rhodochrosite
CMnO3 + 1 H+ = 1 HCO3- + 1 Mn+2
logk 0.247
-analytical -161.587 -0.0493345 5131.9 64.3811 78.5244
MnCl2:4H2O
Cl2H8MnO4 = 1 Mn+2 + 2 Cl- + 4 H2O
logk 3.1961
MnSO4
MnO4S = 1 Mn+2 + 1 SO4-2
logk 3.1105
-analytical -230.662 -0.082732 8210.74 93.2946 125.022
Molybdite
MoO3 + 1 H2O = 1 MoO4-2 + 2 H+
logk -12.055
Powellite
CaMoO4 = 1 Ca+2 + 1 MoO4-2
logk -7.93
MoO2Cl2
Cl2O2Mo + 2 H2O = 2 Cl- + 1 MoO4-2 + 4 H+
logk 0.5936
-analytical -306.755 -0.128496 7342.49 129.712 109.773
Sodium
Na = 1 Na+ + 1 e-
logk 45.8795
Nickel
Ni = 1 Ni+2 + 2 e-
logk 7.9895
-analytical -57.7146 -0.0180043 5937.78 20.6696 91.7918
NiCO3
CNiO3 + 1 H+ = 1 HCO3- + 1 Ni+2
logk -0.8712
NiCl2:4H2O
Cl2H8NiO4 = 1 Ni+2 + 2 Cl- + 4 H2O
logk 3.8561
Nickelbischofite
Cl2H12NiO6 = 1 Ni+2 + 2 Cl- + 6 H2O
logk 3.062
NiMoO4
NiMoO4 = 1 Ni+2 + 1 MoO4-2
logk -6.5033
-analytical -241.401 -0.084022 6381.84 96.3854 96.6458
Ni(OH)2
H2NiO2 + 2 H+ = 1 Ni+2 + 2 H2O
logk 10.52
Ni2P2O7
Ni2O7P2 + 1 H2O = 2 HPO4-2 + 2 Ni+2
logk -8.8991
Ni3(PO4)2
Ni3O8P2 + 2 H+ = 2 HPO4-2 + 3 Ni+2
logk -6.6414
Ni4CrO4(OH)6
Ni4CrO10H6 + 6 H+ = 4 Ni+2 + 1 CrO4-2 + 6 H2O
logk 32.9
NiSO4:7H2O
H14NiO11S = 1 Ni+2 + 1 SO4-2 + 7 H2O
logk -2.206
NiCr2O4
Cr2NiO4 + 8 H+ = 1 Ni+2 + 2 Cr+3 + 4 H2O
logk 23.6681
-analytical -343.761 -0.0827847 25464.9 123.931 395.282
NiF2:4H2O
F2H8NiO4 = 1 Ni+2 + 2 F- + 4 H2O
logk -4.0588
CsClO4
CsO4Cl = 1 Cs+ + 1 ClO4-
logk -2.406
Witherite
BaCO3 + 1 H+ = 1 Ba+2 + 1 HCO3-
logk 1.7639
-analytical -124.02 -0.0440044 3379.13 51.546 51.2183
Zinc
Zn = 1 Zn+2 + 2 e-
logk 25.8015
Zincite
OZn + 2 H+ = 1 H2O + 1 Zn+2
logk 11.2089
-analytical -84.4401 -0.0180238 7084.24 31.22 110.014
Zn(BO2)2
B2O4Zn + 2 H+ + 2 H2O = 1 Zn+2 + 2 B(OH)3
logk 8.313
Zn(ClO4)2:6H2O
Cl2H12O14Zn = 1 Zn+2 + 2 ClO4- + 6 H2O
logk 5.6474
Zn(NO3)2:6H2O
H12N2O12Zn = 1 Zn+2 + 2 NO3- + 6 H2O
logk 3.4102
Zn(OH)2(beta)
H2O2Zn + 2 H+ = 1 Zn+2 + 2 H2O
logk 11.9341
Zn(OH)2(epsilon)
H2O2Zn + 2 H+ = 1 Zn+2 + 2 H2O
logk 11.6625
Zn(OH)2(gamma)
H2O2Zn + 2 H+ = 1 Zn+2 + 2 H2O
logk 11.8832
Zn2(OH)3Cl
ClH3O3Zn2 + 3 H+ = 1 Cl- + 2 Zn+2 + 3 H2O
logk 15.2921
Zn2SO4(OH)2
H2O6SZn2 + 2 H+ = 1 SO4-2 + 2 H2O + 2 Zn+2
logk 7.5816
Zn3O(SO4)2
O9S2Zn3 + 2 H+ = 1 H2O + 2 SO4-2 + 3 Zn+2
logk 19.1188
Zn5(NO3)2(OH)8
H8N2O14Zn5 + 8 H+ = 2 NO3- + 5 Zn+2 + 8 H2O
logk 42.6674
ZnBr2:2H2O
Br2H4O2Zn = 1 Zn+2 + 2 Br- + 2 H2O
logk 5.2999
ZnCO3:H2O
CH2O4Zn + 1 H+ = 1 H2O + 1 HCO3- + 1 Zn+2
logk 0.1398
ZnCl2
Cl2Zn = 1 Zn+2 + 2 Cl-
logk 7.088
ZnCl2(NH3)2
Cl2H6N2Zn + 2 H+ = 1 Zn+2 + 2 Cl- + 2 NH4+
logk 11.4864
ZnCl2(NH3)4
Cl2H12N4Zn + 4 H+ = 1 Zn+2 + 2 Cl- + 4 NH4+
logk 30.2685
ZnCl2(NH3)6
Cl2H18N6Zn + 6 H+ = 1 Zn+2 + 2 Cl- + 6 NH4+
logk 50.7149
ZnCr2O4
Cr2O4Zn + 8 H+ = 1 Zn+2 + 2 Cr+3 + 4 H2O
logk 11.8387
ZnF2
F2Zn = 1 Zn+2 + 2 F-
logk -0.4418
-analytical -260.92 -0.0839315 9068.36 103.07 138.426
ZnSO4:6H2O
H12O10SZn = 1 SO4-2 + 1 Zn+2 + 6 H2O
logk -1.6846
ZnSO4:7H2O
H14O11SZn = 1 SO4-2 + 1 Zn+2 + 7 H2O
logk -1.8683
ZnSO4:H2O
H2O5SZn = 1 H2O + 1 SO4-2 + 1 Zn+2
logk -0.5383
CH4(g)
CH4 + 3 H2O = 9 H+ + 1 HCO3- + 8 e-
logk -30.7169
-analytical -34.1957 -0.0297767 -5519.41 12.4685 -88.4722
CO2(g)
CO2 + 1 H2O = 1 H+ + 1 HCO3-
# logk -7.8136
logk -7.8136
-analytical -85.9871 -0.0304437 2071.68 32.4462 31.2334
H2(g)
H2 = 2 e- + 2 H+
logk -0.0001
-analytical 5.02511 0.000229386 1524.1 -4.12472 23.4667
H2O(g)
H2O = 1 H2O
logk 1.4999
-analytical -21.8582 -0.000298333 2978.01 5.43886 46.4689
HBr(g)
BrH = 1 Br- + 1 H+
logk 8.866
-analytical -81.3888 -0.0299616 5950.24 32.0121 91.6273
HCl(g)
HCl = 1 H+ + 1 Cl-
logk 6.3064
-analytical -87.702 -0.0314755 5564.12 34.2351 85.6274
HF(g)
HF = 1 H+ + 1 F-
logk 1.2448
-analytical -103.571 -0.0334319 5391.71 39.0716 82.8597
HNO3(g)
HNO3 = 1 H+ + 1 NO3-
logk 6.4719
-analytical -81.6735 -0.0271648 5470.01 31.4743 84.2668
N2O5(g)
N2O5 + 1 H2O = 2 H+ + 2 NO3-
logk 17.9824
-analytical -129.582 -0.0529138 9484.49 53.1421 145.821
NO3(g)
NO3 + 1 e- = 1 NO3-
logk 39.7629
-analytical -73.6811 -0.0274276 14838.8 29.0302 230.591
O2(g)
O2 + 4 e- + 4 H+ = 2 H2O
logk 83.1056
-analytical -48.8642 -0.000578392 27769.6 15.7603 433.903
## Added by EK / Florian
Chlorite
Mg2.5Fe2.5Al2Si3O10(OH)8 + 16H+ = 3SiO2 + 2.5Fe+2 + 2.5Mg+2 + 12H2O + 2Al+3
log_k 50.0560
RATES # rates data block defines mathematical expressions for the rates of kinetic reactions
Albite # linear regression
-start
10 moles=0
20 IF ((m<=0) and (SI("Albite")<0)) then goto 200
30 R=8.314462 # in J*K-1*mol-1
40 deltaT=1/TK-1/298.15 # wird für 35°C berechnet; TK is temp in Kelvin
50 e=2.718282 # Eulersche Zahl
## mechanism 1 (acid)
60 Ea=65000 # Aktivierungsenergie in J/mol => 65.0 in KJ/mol
70 logK25=-9.87 # Reaktionskonstante für Kfs bei 25°C, pH=0, in mol/m2*s1
80 ny=0.457 # Reaktionsordnung
90 mech_a=(10^logK25)*(e^(-Ea/R*deltaT))*ACT("H+")^ny ## (10^logK25)*(e^(-Ea/R*deltaT)) computes K for T=35°C; ACT=activity
## mechanism 2 (base)
100 Ea=71000
110 logK25=-16.98
120 ny=-0.572
130 mech_b=(10^logK25)*(e^(-Ea/R*deltaT))*ACT("H+")^ny
## base term (neutral mechanism)
140 Ea=69800
150 logK25=-12.04
160 mech_c=(10^logK25)*(e^(-Ea/R*deltaT))
170 rate=mech_a+mech_b+mech_c
180 IF SI("Albite")<0 then moles=parm(1)*M*rate*(1-SR("Albite")) # dissolution
190 IF SI("Albite")>0 then moles=parm(2)*rate*(1-SR("Albite")) # precipitation
200 save moles*time
-end
Anhydrite # only data for neutral mechanism available in Palandri and Kharaka 2004
-start
10 moles=0
20 IF ((m<=0) and (SI("Anhydrite")<0)) then goto 200
30 R=8.314462
40 deltaT=1/TK-1/298.15
50 e=2.718282
# base term (neutral mechanism)
140 Ea=14.300
150 logK25=-3.19
160 mech_c=(10^logK25)*(e^(-Ea/R*deltaT))
170 rate=mech_c
180 IF SI("Anhydrite")<0 then moles=parm(1)*M*rate*(1-SR("Anhydrite"))
190 IF SI("Anhydrite")>0 then moles=parm(2)*rate*(1-SR("Anhydrite"))
200 save moles*time
-end
Chlorite # added by Florian Stroscher (FS), Clinochlore 14 Å.
-start
10 moles=0
20 IF ((m<=0) and (SI("Chlorite")<0)) then goto 200
30 R=8.314462
40 deltaT=1/TK-1/298.15
50 e=2.718282
# mechanism 1 (acid)
60 Ea=88000
70 logK25=-11.11
80 ny=0.500
90 mech_a=(10^logK25)*(e^(-Ea/R*deltaT))*ACT("H+")^ny
# base term (neutral mechanism)
140 Ea=88000
150 logK25=-12.52
160 mech_c=(10^logK25)*(e^(-Ea/R*deltaT))
170 rate=mech_a+mech_c
180 IF SI("Chlorite")<0 then moles=parm(1)*M*rate*(1-SR("Chlorite"))
190 IF SI("Chlorite")>0 then moles=parm(2)*rate*(1-SR("Chlorite"))
200 save moles*time
-end
Calcite
-start
10 moles=0
20 IF ((m<=0) and (SI("Calcite")<0)) then goto 200
30 R=8.314462
40 deltaT=1/TK-1/298.15
50 e=2.718282
# mechanism 1 (acid)
60 Ea=14400
70 logK25=-0.30
80 ny=1
90 mech_a=(10^logK25)*(e^(-Ea/R*deltaT))*ACT("H+")^ny
# mechanism 2 (base)
100 Ea=35400
110 logK25=-3.48
120 ny=1
130 mech_b=(10^logK25)*(e^(-Ea/R*deltaT))*ACT("H+")^ny
# base term (neutral mechanism)
140 Ea=23500
150 logK25=-5.81
160 mech_c=(10^logK25)*(e^(-Ea/R*deltaT))
170 rate=mech_a+mech_b+mech_c
180 IF SI("Calcite")<0 then moles=parm(1)*M*rate*(1-SR("Calcite"))
190 IF SI("Calcite")>0 then moles=parm(2)*rate*(1-SR("Calcite"))
200 save moles*time
-end
Hematite # added by FS
-start
10 moles=0
20 IF ((m<=0) and (SI("Hematite")<0)) then goto 200
30 R=8.314462
40 deltaT=1/TK-1/298.15
50 e=2.718282
# mechanism 1 (acid)
60 Ea=66200
70 logK25=-9.39
80 ny=1.000
90 mech_a=(10^logK25)*(e^(-Ea/R*deltaT))*ACT("H+")^ny
# base term (neutral mechanism)
140 Ea=66200
150 logK25=-14.60
160 mech_c=(10^logK25)*(e^(-Ea/R*deltaT))
170 rate=mech_a+mech_c
180 IF SI("Hematite")<0 then moles=parm(1)*M*rate*(1-SR("Hematite"))
190 IF SI("Hematite")>0 then moles=parm(2)*rate*(1-SR("Hematite"))
200 save moles*time
-end
Illite # no data; instead smectite data taken
-start
10 moles=0
20 IF ((m<=0) and (SI("Illite")<0)) then goto 200
30 R=8.314462
40 deltaT=1/TK-1/298.15
50 e=2.718282
# mechanism 1 (acid)
60 Ea=23600
70 logK25=-10.98
80 ny=0.340
90 mech_a=(10^logK25)*(e^(-Ea/R*deltaT))*ACT("H+")^ny
## mechanism 2 (base)
100 Ea=58900
110 logK25=-16.52
120 ny=-0.400
130 mech_b=(10^logK25)*(e^(-Ea/R*deltaT))*ACT("H+")^ny
## base term (neutral mechanism)
140 Ea=35000
150 logK25=-12.78
160 mech_c=(10^logK25)*(e^(-Ea/R*deltaT))
170 rate=mech_a+mech_b+mech_c
180 IF SI("Illite")<0 then moles=parm(1)*M*rate*(1-SR("Illite"))
190 IF SI("Illite")>0 then moles=parm(2)*rate*(1-SR("Illite"))
200 save moles*time
-end
K-Feldspar # (doesnt show up? - we have to take a closer look)
-start
10 moles=0
20 IF ((m<=0) and (SI("K-Feldspar")<0)) then goto 200
30 R=8.314462
40 deltaT=1/TK-1/298.15
50 e=2.718282
## mechanism 1 (acid)
60 Ea=51700
70 logK25=-10.06
80 ny=0.500
90 mech_a=(10^logK25)*(e^(-Ea/R*deltaT))*ACT("H+")^ny
## mechanism 2 (base)
100 Ea=94100
110 logK25=-21.20
120 ny=-0.823
130 mech_b=(10^logK25)*(e^(-Ea/R*deltaT))*ACT("H+")^ny
## base term (neutral mechanism)
140 Ea=38000
150 logK25=-12.41
160 mech_c=(10^logK25)*(e^(-Ea/R*deltaT))
170 rate=mech_a+mech_b+mech_c
180 IF SI("K-Feldspar")<0 then moles=parm(1)*M*rate*(1-SR("K-Feldspar"))
190 IF SI("K-Feldspar")>0 then moles=parm(2)*rate*(1-SR("K-Feldspar"))
200 save moles*time
-end
Kaolinite # added by FS
-start
10 moles=0
20 IF ((m<=0) and (SI("Kaolinite")<0)) then goto 200
30 R=8.314462
40 deltaT=1/TK-1/298.15
50 e=2.718282
# mechanism 1 (acid)
60 Ea=65900
70 logK25=-11.31
80 ny=0.777
90 mech_a=(10^logK25)*(e^(-Ea/R*deltaT))*ACT("H+")^ny
## mechanism 2 (base)
100 Ea=17900
110 logK25=-17.05
120 ny=-0.472
130 mech_b=(10^logK25)*(e^(-Ea/R*deltaT))*ACT("H+")^ny
# base term (neutral mechanism)
140 Ea=22200
150 logK25=-13.18
160 mech_c=(10^logK25)*(e^(-Ea/R*deltaT))
170 rate=mech_a+mech_b+mech_c
180 IF SI("Kaolinite")<0 then moles=parm(1)*M*rate*(1-SR("Kaolinite"))
190 IF SI("Kaolinite")>0 then moles=parm(2)*rate*(1-SR("Kaolinite"))
200 save moles*time
-end
Nesquehonite # added by FS
-start
10 moles=0
20 IF ((m<=0) and (SI("Nesquehonite")<0)) then goto 200
30 R=8.314462
40 deltaT=1/TK-1/298.15
50 e=2.718282
# mechanism 1 (acid)
60 Ea=14400
70 logK25=-6.38
80 ny=1.000
90 mech_a=(10^logK25)*(e^(-Ea/R*deltaT))*ACT("H+")^ny
## mechanism 2 (Carbonate Mechanism)
100 Ea=62800
110 logK25=-3.48
120 ny=1.000
125 PCO2 = 10^SI("CO2(g)")
130 mech_b=(10^logK25)*(e^(-Ea/R*deltaT))*PCO2^ny
# base term (neutral mechanism)
140 Ea=23500
150 logK25=-9.34
160 mech_c=(10^logK25)*(e^(-Ea/R*deltaT))
170 rate=mech_a+mech_b+mech_c
180 IF SI("Nesquehonite")<0 then moles=parm(1)*M*rate*(1-SR("Nesquehonite"))
190 IF SI("Nesquehonite")>0 then moles=parm(2)*rate*(1-SR("Nesquehonite"))
200 save moles*time
-end
Siderite # added by FS, aus "Klein-2013.pdf" (Folder: "Kinetic_Ketzin_ex3"!!!
-start
10 moles=0
20 IF ((m<=0) and (SI("Siderite")<0)) then goto 200
30 R=8.314462
40 deltaT=1/TK-1/298.15
50 e=2.718282
# mechanism 1 (acid)
60 Ea=48000
70 logK25=-3.747
80 ny=0.75
90 mech_a=(10^logK25)*(e^(-Ea/R*deltaT))*ACT("H+")^ny
# base term (neutral mechanism)
140 Ea=62760
150 logK25=-8.9
160 mech_c=(10^logK25)*(e^(-Ea/R*deltaT))
170 rate=mech_a+mech_c
180 IF SI("Siderite")<0 then moles=parm(1)*M*rate*(1-SR("Siderite"))
190 IF SI("Siderite")>0 then moles=parm(2)*rate*(1-SR("Siderite"))
200 save moles*time
-end
END
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