SOLUTION_MASTER_SPECIES H H+ -1 H 1.008 H(0) H2 0 H H(1) H+ -1 0 Hzero Hzero2 0 Hzero 1 E e- 0 0 1 O H2O 0 O 16 O(0) O2 0 O O(-2) H2O 0 0 Ozero Ozero2 0 Ozero 16 Ca Ca+2 0 Ca 40.08 Mg Mg+2 0 Mg 24.312 Na Na+ 0 Na 22.9898 K K+ 0 K 39.102 Ferrous Ferrous+2 0 Ferrous 55.847 Ferric Ferric+3 -2 Ferric 55.847 Manganous Manganous+2 0 Manganous 54.938 Manganic Manganic+3 0 Manganic 54.938 Al Al+3 0 Al 26.9815 Ba Ba+2 0 Ba 137.34 Sr Sr+2 0 Sr 87.62 Si H4SiO4 0 SiO2 28.0843 Cl Cl- 0 Cl 35.453 C CO3-2 2 HCO3 12.0111 C(4) CO3-2 2 HCO3 12.0111 Methane MethaneH4 0 MethaneH4 16.0143 Alkalinity CO3-2 1 Ca0.5(CO3)0.5 50.05 Sulfate SulfateO4-2 0 SulfateO4 32.064 Sulfide HSulfide- 1 Sulfide 32.064 Nitrate NitrateO3- 0 Nitrate 14.0067 Nitrite NitriteO2- 0 Nitrite 14.0067 Nzero Nzero2 0 Nzero 14.0067 Amm AmmH4+ 0 Amm 14.0067 B H3BO3 0 B 10.81 P PO4-3 2 P 30.9738 F F- 0 F 18.9984 Li Li+ 0 Li 6.939 Br Br- 0 Br 79.904 Zn Zn+2 0 Zn 65.37 Cd Cd+2 0 Cd 112.4 Pb Pb+2 0 Pb 207.19 Cupric Cupric+2 0 Cupric 63.546 Cuprous Cuprous+ 0 Cuprous 63.546 SOLUTION_SPECIES H+ = H+ log_k 0 -gamma 9 0 -dw 9.31e-009 e- = e- log_k 0 H2O = H2O log_k 0 Ca+2 = Ca+2 log_k 0 -gamma 5 0.165 -dw 7.93e-010 -millero -19.69 0.1058 -0.001256 1.617 -0.075 0.0008262 Mg+2 = Mg+2 log_k 0 -gamma 5.5 0.2 -dw 7.05e-010 -millero -22.32 0.0868 -0.0016 2.017 -0.125 0.001457 Na+ = Na+ log_k 0 -gamma 4 0.075 -dw 1.33e-009 -millero -3.46 0.1092 -0.000768 2.698 -0.106 0.001651 K+ = K+ log_k 0 -gamma 3.5 0.015 -dw 1.96e-009 -millero 7.26 0.0892 -0.000736 2.722 -0.101 0.00151 Ferrous+2 = Ferrous+2 log_k 0 -gamma 6 0 -dw 7.19e-010 Manganous+2 = Manganous+2 log_k 0 -gamma 6 0 -dw 6.88e-010 Al+3 = Al+3 log_k 0 -gamma 9 0 -dw 5.59e-010 Ba+2 = Ba+2 log_k 0 -gamma 5 0 -dw 8.48e-010 Sr+2 = Sr+2 log_k 0 -gamma 5.26 0.121 -dw 7.94e-010 -millero -18.44 0.0082 -0.0006 1.727 -0.067 0.00084 H4SiO4 = H4SiO4 log_k 0 -dw 1.1e-009 -millero 56 0 0 0 0 0 Cl- = Cl- log_k 0 -gamma 3.5 0.015 -dw 2.03e-009 -millero 16.37 0.0896 -0.001264 -1.494 0.034 -0.000621 CO3-2 = CO3-2 log_k 0 -gamma 5.4 0 -dw 9.55e-010 -millero -8.74 0.3 -0.004064 5.65 0 0 SulfateO4-2 = SulfateO4-2 log_k 0 -gamma 5 -0.04 -dw 1.07e-009 -millero 9.26 0.284 -0.003808 0.4348 -0.0099143 -8.4762e-005 NitrateO3- = NitrateO3- log_k 0 -dw 1.9e-009 -millero 25.51 0.1888 -0.001984 -0.654 0 0 H3BO3 = H3BO3 log_k 0 -dw 1.1e-009 -millero 36.56 0.13 -0.00081 0 0 0 PO4-3 = PO4-3 log_k 0 -gamma 4 0 -dw 6.12e-010 F- = F- log_k 0 -gamma 3.5 0 -dw 1.46e-009 -millero -3.05 0.3276 -0.00352 1.271 -0.074 8.857e-005 Li+ = Li+ log_k 0 -gamma 6 0 -dw 1.03e-009 Br- = Br- log_k 0 -gamma 3 0 -dw 2.01e-009 -millero 22.98 0.0934 -0.000968 -1.675 0.05 -0.001105 Zn+2 = Zn+2 log_k 0 -gamma 5 0 -dw 7.15e-010 Cd+2 = Cd+2 log_k 0 -dw 7.17e-010 Pb+2 = Pb+2 log_k 0 -dw 9.45e-010 Cupric+2 = Cupric+2 log_k 0 -gamma 6 0 -dw 7.33e-010 H2O = OH- + H+ log_k -14 delta_h 13.362 kcal -analytical_expression -283.971 -0.05069842 13323 102.24447 -1119669 0 -gamma 3.5 0 -dw 5.27e-009 2H2O = O2 + 4H+ + 4e- log_k -86.08 delta_h 134.79 kcal -dw 2.35e-009 Ozero2 = Ozero2 log_k 0 -dw 2.35e-009 2H+ + 2e- = H2 log_k -3.15 delta_h -1.759 kcal -dw 5.1e-009 Hzero2 = Hzero2 log_k 0 -dw 5.1e-009 H+ + CO3-2 = HCO3- log_k 10.329 delta_h -3.561 kcal -analytical_expression 107.8871 0.03252849 -5151.79 -38.92561 563713.9 0 -gamma 5.4 0 -dw 1.18e-009 -millero 21.07 0.185 -0.002248 2.29 -0.006644 -3.667e-006 2H+ + CO3-2 = CO2 + H2O log_k 16.681 delta_h -5.738 kcal -analytical_expression 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 0 -dw 1.92e-009 MethaneH4 = MethaneH4 log_k 0 delta_h -61.039 kcal -dw 1.85e-009 H+ + SulfateO4-2 = HSulfateO4- log_k 1.988 delta_h 3.85 kcal -analytical_expression -56.889 0.006473 2307.9 19.8858 0 0 -dw 1.33e-009 HSulfide- = HSulfide- log_k 0 -gamma 3.5 0 -dw 1.73e-009 HSulfide- = Sulfide-2 + H+ log_k -12.918 delta_h 12.1 kcal -gamma 5 0 -dw 7.31e-010 H+ + HSulfide- = H2Sulfide log_k 6.994 delta_h -5.3 kcal -analytical_expression -11.17 0.02386 3279 0 0 0 -dw 2.1e-009 NitriteO2- = NitriteO2- log_k 0 -gamma 3 0 -dw 1.91e-009 Nzero2 = Nzero2 log_k 0 -dw 1.96e-009 AmmH4+ = AmmH3 + H+ log_k -9.252 delta_h 12.48 kcal -analytical_expression 0.6322 -0.001225 -2835.76 0 0 0 -dw 2.28e-009 AmmH4+ = AmmH4+ log_k 0 -gamma 2.5 0 -dw 1.98e-009 -millero 17.47 -0.0034 0.00076 0 0 0 AmmH4+ + SulfateO4-2 = AmmH4SulfateO4- log_k 1.11 H3BO3 = H2BO3- + H+ log_k -9.24 delta_h 3.224 kcal F- + H3BO3 = BF(OH)3- log_k -0.4 delta_h 1.85 kcal 2F- + H+ + H3BO3 = BF2(OH)2- + H2O log_k 7.63 delta_h 1.618 kcal 3F- + 2H+ + H3BO3 = BF3OH- + 2H2O log_k 13.67 delta_h -1.614 kcal 4F- + 3H+ + H3BO3 = BF4- + 3H2O log_k 20.28 delta_h -1.846 kcal H+ + PO4-3 = HPO4-2 log_k 12.346 delta_h -3.53 kcal -gamma 4 0 -dw 6.9e-010 2H+ + PO4-3 = H2PO4- log_k 19.553 delta_h -4.52 kcal -gamma 4.5 0 -dw 8.46e-010 -millero 33.6 0 0 0 0 0 F- + H+ = HF log_k 3.18 delta_h 3.18 kcal -analytical_expression -2.033 0.012645 429.01 0 0 0 2F- + H+ = HF2- log_k 3.76 delta_h 4.55 kcal Ca+2 + H2O = CaOH+ + H+ log_k -12.78 Ca+2 + CO3-2 = CaCO3 log_k 3.224 delta_h 3.545 kcal -analytical_expression -1228.732 -0.29944 35512.75 485.818 0 0 -dw 4.46e-010 Ca+2 + H+ + CO3-2 = CaHCO3+ log_k 11.435 delta_h -0.871 kcal -analytical_expression 1317.0071 0.34546894 -39916.84 -517.70761 563713.9 0 -gamma 5.4 0 -dw 5.06e-010 Ca+2 + SulfateO4-2 = CaSulfateO4 log_k 2.3 delta_h 1.65 kcal -dw 4.71e-010 Ca+2 + HSulfateO4- = CaHSulfateO4+ log_k 1.08 Ca+2 + PO4-3 = CaPO4- log_k 6.459 delta_h 3.1 kcal Ca+2 + HPO4-2 = CaHPO4 log_k 2.739 delta_h 3.3 kcal Ca+2 + H2PO4- = CaH2PO4+ log_k 1.408 delta_h 3.4 kcal Ca+2 + F- = CaF+ log_k 0.94 delta_h 4.12 kcal H2O + Mg+2 = MgOH+ + H+ log_k -11.44 delta_h 15.952 kcal Mg+2 + CO3-2 = MgCO3 log_k 2.98 delta_h 2.713 kcal -analytical_expression 0.991 0.00667 0 0 0 0 H+ + Mg+2 + CO3-2 = MgHCO3+ log_k 11.399 delta_h -2.771 kcal -analytical_expression 48.6721 0.03252849 -2614.335 -18.00263 563713.9 0 Mg+2 + SulfateO4-2 = MgSulfateO4 log_k 2.37 delta_h 4.55 kcal Mg+2 + PO4-3 = MgPO4- log_k 6.589 delta_h 3.1 kcal HPO4-2 + Mg+2 = MgHPO4 log_k 2.87 delta_h 3.3 kcal H2PO4- + Mg+2 = MgH2PO4+ log_k 1.513 delta_h 3.4 kcal F- + Mg+2 = MgF+ log_k 1.82 delta_h 3.2 kcal H2O + Na+ = NaOH + H+ log_k -14.18 Na+ + CO3-2 = NaCO3- log_k 1.27 delta_h 8.91 kcal -dw 5.85e-010 HCO3- + Na+ = NaHCO3 log_k -0.25 -dw 6.73e-010 Na+ + SulfateO4-2 = NaSulfateO4- log_k 0.7 delta_h 1.12 kcal -dw 6.18e-010 HPO4-2 + Na+ = NaHPO4- log_k 0.29 F- + Na+ = NaF log_k -0.24 H2O + K+ = KOH + H+ log_k -14.46 K+ + SulfateO4-2 = KSulfateO4- log_k 0.85 delta_h 2.25 kcal -analytical_expression 3.106 0 -673.6 0 0 0 -dw 7.46e-010 HPO4-2 + K+ = KHPO4- log_k 0.29 Ferrous+2 + H2O = FerrousOH+ + H+ log_k -9.5 delta_h 13.2 kcal Cl- + Ferrous+2 = FerrousCl+ log_k 0.14 Ferrous+2 + CO3-2 = FerrousCO3 log_k 4.38 Ferrous+2 + HCO3- = FerrousHCO3+ log_k 2 Ferrous+2 + SulfateO4-2 = FerrousSulfateO4 log_k 2.25 delta_h 3.23 kcal Ferrous+2 + HSulfateO4- = FerrousHSulfateO4+ log_k 1.08 Ferrous+2 + 2HSulfide- = Ferrous(HSulfide)2 log_k 8.95 Ferrous+2 + 3HSulfide- = Ferrous(HSulfide)3- log_k 10.987 Ferrous+2 + HPO4-2 = FerrousHPO4 log_k 3.6 Ferrous+2 + H2PO4- = FerrousH2PO4+ log_k 2.7 F- + Ferrous+2 = FerrousF+ log_k 1 Ferric+3 = Ferric+3 log_k 0 -gamma 9 0 Ferric+3 + H2O = FerricOH+2 + H+ log_k -2.19 delta_h 10.4 kcal Ferric+3 + 2H2O = Ferric(OH)2+ + 2H+ log_k -5.67 delta_h 17.1 kcal Ferric+3 + 3H2O = Ferric(OH)3 + 3H+ log_k -12.56 delta_h 24.8 kcal Ferric+3 + 4H2O = Ferric(OH)4- + 4H+ log_k -21.6 delta_h 31.9 kcal 2Ferric+3 + 2H2O = Ferric2(OH)2+4 + 2H+ log_k -2.95 delta_h 13.5 kcal 3Ferric+3 + 4H2O = Ferric3(OH)4+5 + 4H+ log_k -6.3 delta_h 14.3 kcal Cl- + Ferric+3 = FerricCl+2 log_k 1.48 delta_h 5.6 kcal 2Cl- + Ferric+3 = FerricCl2+ log_k 2.13 3Cl- + Ferric+3 = FerricCl3 log_k 1.13 Ferric+3 + SulfateO4-2 = FerricSulfateO4+ log_k 4.04 delta_h 3.91 kcal Ferric+3 + HSulfateO4- = FerricHSulfateO4+2 log_k 2.48 Ferric+3 + 2SulfateO4-2 = Ferric(SulfateO4)2- log_k 5.38 delta_h 4.6 kcal Ferric+3 + HPO4-2 = FerricHPO4+ log_k 5.43 delta_h 5.76 kcal Ferric+3 + H2PO4- = FerricH2PO4+2 log_k 5.43 F- + Ferric+3 = FerricF+2 log_k 6.2 delta_h 2.7 kcal 2F- + Ferric+3 = FerricF2+ log_k 10.8 delta_h 4.8 kcal 3F- + Ferric+3 = FerricF3 log_k 14 delta_h 5.4 kcal H2O + Manganous+2 = ManganousOH+ + H+ log_k -10.59 delta_h 14.4 kcal Cl- + Manganous+2 = ManganousCl+ log_k 0.61 2Cl- + Manganous+2 = ManganousCl2 log_k 0.25 3Cl- + Manganous+2 = ManganousCl3- log_k -0.31 Manganous+2 + CO3-2 = ManganousCO3 log_k 4.9 HCO3- + Manganous+2 = ManganousHCO3+ log_k 1.95 Manganous+2 + SulfateO4-2 = ManganousSulfateO4 log_k 2.25 delta_h 3.37 kcal Manganous+2 + 2NitrateO3- = Manganous(NitrateO3)2 log_k 0.6 delta_h -0.396 kcal F- + Manganous+2 = ManganousF+ log_k 0.84 Manganic+3 = Manganic+3 log_k 0 Al+3 + H2O = AlOH+2 + H+ log_k -5 delta_h 11.49 kcal -analytical_expression -38.253 0 -656.27 14.327 0 0 Al+3 + 2H2O = Al(OH)2+ + 2H+ log_k -10.1 delta_h 26.9 kcal -analytical_expression 88.5 0 -9391.6 -27.121 0 0 Al+3 + 3H2O = Al(OH)3 + 3H+ log_k -16.9 delta_h 39.89 kcal -analytical_expression 226.374 0 -18247.8 -73.597 0 0 Al+3 + 4H2O = Al(OH)4- + 4H+ log_k -22.7 delta_h 42.3 kcal -analytical_expression 51.578 0 -11168.9 -14.865 0 0 Al+3 + SulfateO4-2 = AlSulfateO4+ log_k 3.5 delta_h 2.29 kcal Al+3 + 2SulfateO4-2 = Al(SulfateO4)2- log_k 5 delta_h 3.11 kcal Al+3 + HSulfateO4- = AlHSulfateO4+2 log_k 0.46 Al+3 + F- = AlF+2 log_k 7 delta_h 1.06 kcal Al+3 + 2F- = AlF2+ log_k 12.7 delta_h 1.98 kcal Al+3 + 3F- = AlF3 log_k 16.8 delta_h 2.16 kcal Al+3 + 4F- = AlF4- log_k 19.4 delta_h 2.2 kcal Al+3 + 5F- = AlF5-2 log_k 20.6 delta_h 1.84 kcal Al+3 + 6F- = AlF6-3 log_k 20.6 delta_h -1.67 kcal H4SiO4 = H3SiO4- + H+ log_k -9.83 delta_h 6.12 kcal -analytical_expression -302.3724 -0.050698 15669.69 108.18466 -1119669 0 H4SiO4 = H2SiO4-2 + 2H+ log_k -23 delta_h 17.6 kcal -analytical_expression -294.0184 -0.07265 11204.49 108.18466 -1119669 0 6F- + 4H+ + H4SiO4 = SiF6-2 + 4H2O log_k 30.18 delta_h -16.26 kcal Ba+2 + H2O = BaOH+ + H+ log_k -13.47 Ba+2 + CO3-2 = BaCO3 log_k 2.71 delta_h 3.55 kcal -analytical_expression 0.113 0.008721 0 0 0 0 Ba+2 + HCO3- = BaHCO3+ log_k 0.982 delta_h 5.56 kcal -analytical_expression -3.0938 0.013669 0 0 0 0 Ba+2 + SulfateO4-2 = BaSulfateO4 log_k 2.7 H2O + Sr+2 = SrOH+ + H+ log_k -13.29 -gamma 5 0 H+ + Sr+2 + CO3-2 = SrHCO3+ log_k 11.509 delta_h 2.489 kcal -analytical_expression 104.6391 0.04739549 -5151.79 -38.92561 563713.9 0 -gamma 5.4 0 Sr+2 + CO3-2 = SrCO3 log_k 2.81 delta_h 5.22 kcal -analytical_expression -1.019 0.012826 0 0 0 0 Sr+2 + SulfateO4-2 = SrSulfateO4 log_k 2.29 delta_h 2.08 kcal H2O + Li+ = LiOH + H+ log_k -13.64 Li+ + SulfateO4-2 = LiSulfateO4- log_k 0.64 Cuprous+ = Cuprous+ log_k 0 -gamma 2.5 0 Cupric+2 + H2O = CupricOH+ + H+ log_k -8 -gamma 4 0 Cupric+2 + 2H2O = Cupric(OH)2 + 2H+ log_k -13.68 Cupric+2 + 3H2O = Cupric(OH)3- + 3H+ log_k -26.9 Cupric+2 + 4H2O = Cupric(OH)4-2 + 4H+ log_k -39.6 Cupric+2 + SulfateO4-2 = CupricSulfateO4 log_k 2.31 delta_h 1.22 kcal H2O + Zn+2 = ZnOH+ + H+ log_k -8.96 delta_h 13.4 kcal 2H2O + Zn+2 = Zn(OH)2 + 2H+ log_k -16.9 3H2O + Zn+2 = Zn(OH)3- + 3H+ log_k -28.4 4H2O + Zn+2 = Zn(OH)4-2 + 4H+ log_k -41.2 Cl- + Zn+2 = ZnCl+ log_k 0.43 delta_h 7.79 kcal 2Cl- + Zn+2 = ZnCl2 log_k 0.45 delta_h 8.5 kcal 3Cl- + Zn+2 = ZnCl3- log_k 0.5 delta_h 9.56 kcal 4Cl- + Zn+2 = ZnCl4-2 log_k 0.2 delta_h 10.96 kcal Zn+2 + CO3-2 = ZnCO3 log_k 5.3 Zn+2 + 2CO3-2 = Zn(CO3)2-2 log_k 9.63 HCO3- + Zn+2 = ZnHCO3+ log_k 2.1 SulfateO4-2 + Zn+2 = ZnSulfateO4 log_k 2.37 delta_h 1.36 kcal 2SulfateO4-2 + Zn+2 = Zn(SulfateO4)2-2 log_k 3.28 Cd+2 + H2O = CdOH+ + H+ log_k -10.08 delta_h 13.1 kcal Cd+2 + 2H2O = Cd(OH)2 + 2H+ log_k -20.35 Cd+2 + 3H2O = Cd(OH)3- + 3H+ log_k -33.3 Cd+2 + 4H2O = Cd(OH)4-2 + 4H+ log_k -47.35 Cd+2 + Cl- = CdCl+ log_k 1.98 delta_h 0.59 kcal Cd+2 + 2Cl- = CdCl2 log_k 2.6 delta_h 1.24 kcal Cd+2 + 3Cl- = CdCl3- log_k 2.4 delta_h 3.9 kcal Cd+2 + CO3-2 = CdCO3 log_k 2.9 Cd+2 + 2CO3-2 = Cd(CO3)2-2 log_k 6.4 Cd+2 + HCO3- = CdHCO3+ log_k 1.5 Cd+2 + SulfateO4-2 = CdSulfateO4 log_k 2.46 delta_h 1.08 kcal Cd+2 + 2SulfateO4-2 = Cd(SulfateO4)2-2 log_k 3.5 H2O + Pb+2 = PbOH+ + H+ log_k -7.71 2H2O + Pb+2 = Pb(OH)2 + 2H+ log_k -17.12 3H2O + Pb+2 = Pb(OH)3- + 3H+ log_k -28.06 4H2O + Pb+2 = Pb(OH)4-2 + 4H+ log_k -39.7 H2O + 2Pb+2 = Pb2OH+3 + H+ log_k -6.36 Cl- + Pb+2 = PbCl+ log_k 1.6 delta_h 4.38 kcal 2Cl- + Pb+2 = PbCl2 log_k 1.8 delta_h 1.08 kcal 3Cl- + Pb+2 = PbCl3- log_k 1.7 delta_h 2.17 kcal 4Cl- + Pb+2 = PbCl4-2 log_k 1.38 delta_h 3.53 kcal Pb+2 + CO3-2 = PbCO3 log_k 7.24 Pb+2 + 2CO3-2 = Pb(CO3)2-2 log_k 10.64 HCO3- + Pb+2 = PbHCO3+ log_k 2.9 Pb+2 + SulfateO4-2 = PbSulfateO4 log_k 2.75 Pb+2 + 2SulfateO4-2 = Pb(SulfateO4)2-2 log_k 3.47 NitrateO3- + Pb+2 = PbNitrateO3+ log_k 1.17 PHASES redoxCalcite CaCO3 = Ca+2 + CO3-2 log_k -8.48 delta_h -2.297 kcal -analytical_expression -171.9065 -0.077993 2839.319 71.595 0 0 redoxAragonite CaCO3 = Ca+2 + CO3-2 log_k -8.336 delta_h -2.589 kcal -analytical_expression -171.9773 -0.077993 2903.293 71.595 0 0 redoxDolomite CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2 log_k -17.09 delta_h -9.436 kcal redoxSiderite FerrousCO3 = Ferrous+2 + CO3-2 log_k -10.89 delta_h -2.48 kcal redoxRhodochrosite ManganousCO3 = Manganous+2 + CO3-2 log_k -11.13 delta_h -1.43 kcal redoxStrontianite SrCO3 = Sr+2 + CO3-2 log_k -9.271 delta_h -0.4 kcal -analytical_expression 155.0305 0 -7239.594 -56.58638 0 0 redoxWitherite BaCO3 = Ba+2 + CO3-2 log_k -8.562 delta_h 0.703 kcal -analytical_expression 607.642 0.121098 -20011.25 -236.4948 0 0 redoxGypsum CaSulfateO4:2H2O = Ca+2 + 2H2O + SulfateO4-2 log_k -4.58 delta_h -0.109 kcal -analytical_expression 68.2401 0 -3221.51 -25.0627 0 0 redoxAnhydrite CaSulfateO4 = Ca+2 + SulfateO4-2 log_k -4.36 delta_h -1.71 kcal -analytical_expression 197.52 0 -8669.8 -69.835 0 0 redoxCelestite SrSulfateO4 = Sr+2 + SulfateO4-2 log_k -6.63 delta_h -1.037 kcal -analytical_expression -14805.9622 -2.4660924 756968.533 5436.3588 -40553604 0 redoxBarite BaSulfateO4 = Ba+2 + SulfateO4-2 log_k -9.97 delta_h 6.35 kcal -analytical_expression 136.035 0 -7680.41 -48.595 0 0 Hydroxyapatite Ca5(PO4)3OH + 4H+ = 5Ca+2 + H2O + 3HPO4-2 log_k -3.421 delta_h -36.155 kcal Fluorite CaF2 = Ca+2 + 2F- log_k -10.6 delta_h 4.69 kcal -analytical_expression 66.348 0 -4298.2 -25.271 0 0 SiO2(a) SiO2 + 2H2O = H4SiO4 log_k -2.71 delta_h 3.34 kcal -analytical_expression -0.26 0 -731 0 0 0 Chalcedony SiO2 + 2H2O = H4SiO4 log_k -3.55 delta_h 4.72 kcal -analytical_expression -0.09 0 -1032 0 0 0 Quartz SiO2 + 2H2O = H4SiO4 log_k -3.98 delta_h 5.99 kcal -analytical_expression 0.41 0 -1309 0 0 0 Gibbsite Al(OH)3 + 3H+ = Al+3 + 3H2O log_k 8.11 delta_h -22.8 kcal Al(OH)3(a) Al(OH)3 + 3H+ = Al+3 + 3H2O log_k 10.8 delta_h -26.5 kcal Kaolinite Al2Si2O5(OH)4 + 6H+ = 2Al+3 + H2O + 2H4SiO4 log_k 7.435 delta_h -35.3 kcal Albite NaAlSi3O8 + 8H2O = Al(OH)4- + 3H4SiO4 + Na+ log_k -18.002 delta_h 25.896 kcal Anorthite CaAl2Si2O8 + 8H2O = 2Al(OH)4- + Ca+2 + 2H4SiO4 log_k -19.714 delta_h 11.58 kcal K-feldspar KAlSi3O8 + 8H2O = Al(OH)4- + 3H4SiO4 + K+ log_k -20.573 delta_h 30.82 kcal K-mica KAl3Si3O10(OH)2 + 10H+ = 3Al+3 + 3H4SiO4 + K+ log_k 12.703 delta_h -59.376 kcal Chlorite(14A) Mg5Al2Si3O10(OH)8 + 16H+ = 2Al+3 + 6H2O + 3H4SiO4 + 5Mg+2 log_k 68.38 delta_h -151.494 kcal Ca-Montmorillonite Ca0.165Al2.33Si3.67O10(OH)2 + 12H2O = 2.33Al(OH)4- + 0.165Ca+2 + 2H+ + 3.67H4SiO4 log_k -45.027 delta_h 58.373 kcal Talc Mg3Si4O10(OH)2 + 6H+ + 4H2O = 4H4SiO4 + 3Mg+2 log_k 21.399 delta_h -46.352 kcal Illite K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2H2O = 2.3Al(OH)4- + 1.2H+ + 3.5H4SiO4 + 0.6K+ + 0.25Mg+2 log_k -40.267 delta_h 54.684 kcal Chrysotile Mg3Si2O5(OH)4 + 6H+ = H2O + 2H4SiO4 + 3Mg+2 log_k 32.2 delta_h -46.8 kcal -analytical_expression 13.248 0 10217.1 -6.1894 0 0 Sepiolite Mg2Si3O7.5OH:3H2O + 4H+ + 0.5H2O = 3H4SiO4 + 2Mg+2 log_k 15.76 delta_h -10.7 kcal Sepiolite(d) Mg2Si3O7.5OH:3H2O + 4H+ + 0.5H2O = 3H4SiO4 + 2Mg+2 log_k 18.66 redoxHematite Ferric2O3 + 6H+ = 2Ferric+3 + 3H2O log_k -4.008 delta_h -30.845 kcal redoxGoethite FerricOOH + 3H+ = Ferric+3 + 2H2O log_k -1 delta_h -14.48 kcal redoxFe(OH)3(a) Ferric(OH)3 + 3H+ = Ferric+3 + 3H2O log_k 4.891 redoxPyrite FerrousSulfide2 + 2H+ + 2e- = Ferrous+2 + 2HSulfide- log_k -18.479 delta_h 11.3 kcal redoxFeS(ppt) FerrousSulfide + H+ = Ferrous+2 + HSulfide- log_k -3.915 redoxMackinawite FerrousSulfide + H+ = Ferrous+2 + HSulfide- log_k -4.648 redoxSulfur Sulfide + 2H+ + 2e- = H2Sulfide log_k 4.882 delta_h -9.5 kcal redoxVivianite Ferrous3(PO4)2:8H2O = 3Ferrous+2 + 8H2O + 2PO4-3 log_k -36 redoxHausmannite ManganousManganic2O4 + 8H+ = 4H2O + 2Manganic+3 + Manganous+2 log_k 10.01 redoxManganite ManganicOOH + 3H+ = 2H2O + Manganic+3 log_k -0.17 redoxPyrochroite Manganous(OH)2 + 2H+ = 2H2O + Manganous+2 log_k 15.2 Halite NaCl = Cl- + Na+ log_k 1.582 delta_h 0.918 kcal redoxCO2(g) CO2 = CO2 log_k -1.468 delta_h -4.776 kcal -analytical_expression 108.3865 0.01985076 -6919.53 -40.45154 669365 0 redoxO2(g) Ozero2 = Ozero2 log_k -2.8983 -analytical_expression -7.5001 0.0078981 0 0 200270 0 H2(g) H2 = H2 log_k -3.15 delta_h -1.759 kcal redoxH2(g) Hzero2 = Hzero2 log_k -3.15 delta_h -1.759 kcal H2O(g) H2O = H2O log_k 1.51 delta_h -44.03 kJ redoxN2(g) Nzero2 = Nzero2 log_k -3.26 delta_h -1.358 kcal redoxH2S(g) H2Sulfide = H2Sulfide log_k -0.997 delta_h -4.57 kcal redoxCH4(g) MethaneH4 = MethaneH4 log_k -2.86 delta_h -3.373 kcal redoxNH3(g) AmmH3 = AmmH3 log_k 1.77 delta_h -8.17 kcal redoxMelanterite FerrousSulfateO4:7H2O = Ferrous+2 + 7H2O + SulfateO4-2 log_k -2.209 delta_h 4.91 kcal -analytical_expression 1.447 -0.004153 0 0 -214949 0 redoxAlunite KAl3(SulfateO4)2(OH)6 + 6H+ = 3Al+3 + 6H2O + K+ + 2SulfateO4-2 log_k -1.4 delta_h -50.25 kcal redoxJarosite-K KFerric3(SulfateO4)2(OH)6 + 6H+ = 3Ferric+3 + 6H2O + K+ + 2SulfateO4-2 log_k -9.21 delta_h -31.28 kcal Zn(OH)2(e) Zn(OH)2 + 2H+ = 2H2O + Zn+2 log_k 11.5 redoxSmithsonite ZnCO3 = Zn+2 + CO3-2 log_k -10 delta_h -4.36 kcal redoxSphalerite ZnSulfide + H+ = HSulfide- + Zn+2 log_k -11.618 delta_h 8.25 kcal Willemite Zn2SiO4 + 4H+ = H4SiO4 + 2Zn+2 log_k 15.33 delta_h -33.37 kcal Cd(OH)2 Cd(OH)2 + 2H+ = Cd+2 + 2H2O log_k 13.65 redoxOtavite CdCO3 = Cd+2 + CO3-2 log_k -12.1 delta_h -0.019 kcal CdSiO3 CdSiO3 + 2H+ + H2O = Cd+2 + H4SiO4 log_k 9.06 delta_h -16.63 kcal redoxCdSO4 CdSulfateO4 = Cd+2 + SulfateO4-2 log_k -0.1 delta_h -14.74 kcal redoxCerrusite PbCO3 = Pb+2 + CO3-2 log_k -13.13 delta_h 4.86 kcal redoxAnglesite PbSulfateO4 = Pb+2 + SulfateO4-2 log_k -7.79 delta_h 2.15 kcal Pb(OH)2 Pb(OH)2 + 2H+ = 2H2O + Pb+2 log_k 8.15 delta_h -13.99 kcal EXCHANGE_MASTER_SPECIES X X- EXCHANGE_SPECIES X- = X- log_k 0 Na+ + X- = NaX log_k 0 -gamma 4 0.075 K+ + X- = KX log_k 0.7 delta_h -4.3 kJ -gamma 3.5 0.015 Li+ + X- = LiX log_k -0.08 delta_h 1.4 kJ -gamma 6 0 AmmH4+ + X- = AmmH4X log_k 0.6 delta_h -2.4 kJ -gamma 2.5 0 Ca+2 + 2X- = CaX2 log_k 0.8 delta_h 7.2 kJ -gamma 5 0.165 Mg+2 + 2X- = MgX2 log_k 0.6 delta_h 7.4 kJ -gamma 5.5 0.2 Sr+2 + 2X- = SrX2 log_k 0.91 delta_h 5.5 kJ -gamma 5.26 0.121 Ba+2 + 2X- = BaX2 log_k 0.91 delta_h 4.5 kJ -gamma 5 0 Manganous+2 + 2X- = ManganousX2 log_k 0.52 -gamma 6 0 Ferrous+2 + 2X- = FerrousX2 log_k 0.44 -gamma 6 0 Cupric+2 + 2X- = CupricX2 log_k 0.6 -gamma 6 0 2X- + Zn+2 = ZnX2 log_k 0.8 -gamma 5 0 Cd+2 + 2X- = CdX2 log_k 0.8 -davies Pb+2 + 2X- = PbX2 log_k 1.05 -davies Al+3 + 3X- = AlX3 log_k 0.41 -gamma 9 0 AlOH+2 + 2X- = AlOHX2 log_k 0.89 -davies SURFACE_MASTER_SPECIES Hfo_s Hfo_sOH Hfo_w Hfo_wOH SURFACE_SPECIES Hfo_sOH = Hfo_sOH log_k 0 H+ + Hfo_sOH = Hfo_sOH2+ log_k 7.29 Hfo_sOH = Hfo_sO- + H+ log_k -8.93 Hfo_wOH = Hfo_wOH log_k 0 H+ + Hfo_wOH = Hfo_wOH2+ log_k 7.29 Hfo_wOH = Hfo_wO- + H+ log_k -8.93 Ca+2 + Hfo_sOH = Hfo_sOHCa+2 log_k 4.97 Ca+2 + Hfo_wOH = Hfo_wOCa+ + H+ log_k -5.85 Hfo_sOH + Sr+2 = Hfo_sOHSr+2 log_k 5.01 Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+ log_k -6.58 H2O + Hfo_wOH + Sr+2 = Hfo_wOSrOH + 2H+ log_k -17.6 Ba+2 + Hfo_sOH = Hfo_sOHBa+2 log_k 5.46 Ba+2 + Hfo_wOH = Hfo_wOBa+ + H+ log_k -7.2 Cd+2 + Hfo_sOH = Hfo_sOCd+ + H+ log_k 0.47 Cd+2 + Hfo_wOH = Hfo_wOCd+ + H+ log_k -2.91 Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+ log_k 0.99 Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+ log_k -1.99 Cupric+2 + Hfo_sOH = Hfo_sOCupric+ + H+ log_k 2.89 Cupric+2 + Hfo_wOH = Hfo_wOCupric+ + H+ log_k 0.6 Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+ log_k 4.65 Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+ log_k 0.3 Hfo_wOH + Mg+2 = Hfo_wOMg+ + H+ log_k -4.6 Hfo_sOH + Manganous+2 = Hfo_sOManganous+ + H+ log_k -0.4 Hfo_wOH + Manganous+2 = Hfo_wOManganous+ + H+ log_k -3.5 Ferrous+2 + Hfo_sOH = Hfo_sOFerrous+ + H+ log_k -0.95 Ferrous+2 + Hfo_wOH = Hfo_wOFerrous+ + H+ log_k -2.98 Ferrous+2 + H2O + Hfo_wOH = Hfo_wOFerrousOH + 2H+ log_k -11.55 3H+ + Hfo_wOH + PO4-3 = Hfo_wH2PO4 + H2O log_k 31.29 2H+ + Hfo_wOH + PO4-3 = Hfo_wHPO4- + H2O log_k 25.39 H+ + Hfo_wOH + PO4-3 = Hfo_wPO4-2 + H2O log_k 17.72 H3BO3 + Hfo_wOH = Hfo_wH2BO3 + H2O log_k 0.62 H+ + Hfo_wOH + SulfateO4-2 = Hfo_wSulfateO4- + H2O log_k 7.78 Hfo_wOH + SulfateO4-2 = Hfo_wOHSulfateO4-2 log_k 0.79 F- + H+ + Hfo_wOH = Hfo_wF + H2O log_k 8.7 F- + Hfo_wOH = Hfo_wOHF- log_k 1.6 END