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pyEQL 1.4.0rc9__cp312-cp312-win_amd64.whl

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pyEQL/phreeqc/database/wateq4f.dat ADDED Viewed

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+# File 1 = C:\GitPrograms\phreeqc3-1\database\wateq4f.dat, 15/03/2024  15:31, 4032 lines, 106804 bytes, md5=b01313c8049bbc106fe5ce9b15afa3e2
+# Created 17 May 2024 14:30:45
+# c:\3rdParty\lsp\lsp.exe  -f2 -k="asis" -ts "wateq4f.dat"
+# $Id$
+# Revised arsenic data from Archer and Nordstrom (2002)
+SOLUTION_MASTER_SPECIES
+Ag Ag+ 0 107.868 107.868
+Al Al+3 0 26.9815 26.9815
+Alkalinity CO3-2 1 50.05 50.05
+As H3AsO4 -1 74.9216 74.9216
+As(+3) H3AsO3 0 74.9216 74.9216
+As(+5) H3AsO4 -1 74.9216
+B H3BO3 0 10.81 10.81
+Ba Ba+2 0 137.34 137.34
+Br Br- 0 79.904 79.904
+C CO3-2 2 61.0173 12.0111
+C(+4) CO3-2 2 61.0173
+C(-4) CH4 0 16.042
+Ca Ca+2 0 40.08 40.08
+Cd Cd+2 0 112.4 112.4
+Cl Cl- 0 35.453 35.453
+Cs Cs+ 0 132.905 132.905
+Cu Cu+2 0 63.546 63.546
+Cu(+1) Cu+1 0 63.546
+Cu(+2) Cu+2 0 63.546
+E e- 1 0 0
+F F- 0 18.9984 18.9984
+Fe Fe+2 0 55.847 55.847
+Fe(+2) Fe+2 0 55.847
+Fe(+3) Fe+3 -2 55.847
+Fulvate Fulvate-2 0 650 650
+H H+ -1 1.008 1.008
+H(0) H2 0 1.008
+H(1) H+ -1 1.008
+Humate Humate-2 0 2000 2000
+I I- 0 126.9044 126.9044
+K K+ 0 39.102 39.102
+Li Li+ 0 6.939 6.939
+Mg Mg+2 0 24.312 24.312
+Mn Mn+2 0 54.938 54.938
+Mn(2) Mn+2 0 54.938
+Mn(3) Mn+3 0 54.938
+Mn(6) MnO4-2 0 54.938
+Mn(7) MnO4- 0 54.938
+N NO3- 0 14.0067 14.0067
+N(-3) NH4+ 0 14.0067
+N(0) N2 0 14.0067
+N(+3) NO2- 0 14.0067
+N(+5) NO3- 0 14.0067
+Na Na+ 0 22.9898 22.9898
+Ni Ni+2 0 58.71 58.71
+O H2O 0 16 16
+O(-2) H2O 0 18.016
+O(0) O2 0 16
+P PO4-3 2 30.9738 30.9738
+Pb Pb+2 0 207.19 207.19
+Rb Rb+ 0 85.47 85.47
+S SO4-2 0 96.0616 32.064
+S(-2) H2S 0 32.064
+S(6) SO4-2 0 96.0616
+Se SeO4-2 0 78.96 78.96
+Se(-2) HSe- 0 78.96
+Se(4) SeO3-2 0 78.96
+Se(6) SeO4-2 0 78.96
+Si H4SiO4 0 60.0843 28.0843
+Sr Sr+2 0 87.62 87.62
+Zn Zn+2 0 65.37 65.37
+U UO2+2 0 238.029 238.029
+U(3) U+3 0 238.029 238.029
+U(4) U+4 0 238.029 238.029
+U(5) UO2+ 0 238.029 238.029
+U(6) UO2+2 0 238.029 238.029
+SOLUTION_SPECIES
+#H+ primary master species
+        H+ = H+
+        log_k 0
+        -gamma 9 0
+#e- primary master species
+        e- = e-
+        log_k 0
+#H2O primary master species
+        H2O = H2O
+        log_k 0
+#Ag+ primary master species
+        Ag+ = Ag+
+        log_k 0
+#Al+3 primary master species
+        Al+3 = Al+3
+        log_k 0
+        -gamma 9 0
+#H3AsO4 primary master species
+        H3AsO4 = H3AsO4
+        log_k 0
+#H3BO3 primary master species
+        H3BO3 = H3BO3
+        log_k 0
+#Ba+2 primary master species
+        Ba+2 = Ba+2
+        log_k 0
+        -gamma 5 0
+#Br- primary master species
+        Br- = Br-
+        log_k 0
+#CO3-2 primary master species
+        CO3-2 = CO3-2
+        log_k 0
+        -gamma 5.4 0
+#Ca+2 primary master species
+        Ca+2 = Ca+2
+        log_k 0
+        -gamma 5 0.165
+#Cd+2 primary master species
+        Cd+2 = Cd+2
+        log_k 0
+#Cl- primary master species
+        Cl- = Cl-
+        log_k 0
+        -gamma 3.5 0.015
+#Cs+ primary master species
+        Cs+ = Cs+
+        log_k 0
+#Cu+2 primary master species
+        Cu+2 = Cu+2
+        log_k 0
+        -gamma 6 0
+#F- primary master species
+        F- = F-
+        log_k 0
+        -gamma 3.5 0
+#Fe+2 primary master species
+        Fe+2 = Fe+2
+        log_k 0
+        -gamma 6 0
+#Fulvate-2 primary master species
+        Fulvate-2 = Fulvate-2
+        log_k 0
+#Humate-2 primary master species
+        Humate-2 = Humate-2
+        log_k 0
+#I- primary master species
+        I- = I-
+        log_k 0
+#K+ primary master species
+        K+ = K+
+        log_k 0
+        -gamma 3.5 0.015
+#Li+ primary master species
+        Li+ = Li+
+        log_k 0
+        -gamma 6 0
+#Mg+2 primary master species
+        Mg+2 = Mg+2
+        log_k 0
+        -gamma 5.5 0.2
+#Mn+2 primary master species
+        Mn+2 = Mn+2
+        log_k 0
+        -gamma 6 0
+#NO3- primary master species
+        NO3- = NO3-
+        log_k 0
+        -gamma 3 0
+#Na+ primary master species
+        Na+ = Na+
+        log_k 0
+        -gamma 4 0.075
+#Ni+2 primary master species
+        Ni+2 = Ni+2
+        log_k 0
+#PO4-3 primary master species
+        PO4-3 = PO4-3
+        log_k 0
+        -gamma 5 0
+#Pb+2 primary master species
+        Pb+2 = Pb+2
+        log_k 0
+#Rb+ primary master species
+        Rb+ = Rb+
+        log_k 0
+#SO4-2 primary master species
+        SO4-2 = SO4-2
+        log_k 0
+        -gamma 5 -0.04
+#SeO4-2 primary master species
+        SeO4-2 = SeO4-2
+        log_k 0
+#H4SiO4 primary master species
+        H4SiO4 = H4SiO4
+        log_k 0
+#Sr+2 primary master species
+        Sr+2 = Sr+2
+        log_k 0
+        -gamma 5.26 0.121
+#UO2+2 primary master species
+        UO2+2 = UO2+2
+        log_k 0
+#Zn+2 primary master species
+        Zn+2 = Zn+2
+        log_k 0
+        -gamma 6 0
+#Fe+3 secondary master species  0
+        Fe+2 = Fe+3 + e-
+        log_k -13.02
+        delta_h 9.68 kcal
+        -gamma 9 0
+#FeOH+2              1
+        Fe+3 + H2O = FeOH+2 + H+
+        log_k -2.19
+        delta_h 10.4 kcal
+        -gamma 5 0
+#FeOH+               2
+        Fe+2 + H2O = FeOH+ + H+
+        log_k -9.5
+        delta_h 13.2 kcal
+        -gamma 5 0
+#Fe(OH)3-            3
+        Fe+2 + 3 H2O = Fe(OH)3- + 3 H+
+        log_k -31
+        delta_h 30.3 kcal
+        -gamma 5 0
+#FeSO4+              4
+        Fe+3 + SO4-2 = FeSO4+
+        log_k 4.04
+        delta_h 3.91 kcal
+        -gamma 5 0
+#FeCl+2              5
+        Fe+3 + Cl- = FeCl+2
+        log_k 1.48
+        delta_h 5.6 kcal
+        -gamma 5 0
+#FeCl2+              6
+        Fe+3 + 2 Cl- = FeCl2+
+        log_k 2.13
+#FeCl3               7
+        Fe+3 + 3 Cl- = FeCl3
+        log_k 1.13
+#FeSO4               8
+        Fe+2 + SO4-2 = FeSO4
+        log_k 2.25
+        delta_h 3.23 kcal
+#H3SiO4-             13
+        H4SiO4 = H3SiO4- + H+
+        log_k -9.83
+        delta_h 6.12 kcal
+        -analytical -302.3724 -0.050698 15669.69 108.18466 -1119669
+        -gamma 4 0
+#H2SiO4-2            14
+        H4SiO4 = H2SiO4-2 + 2 H+
+        log_k -23
+        delta_h 17.6 kcal
+        -analytical -294.0184 -0.07265 11204.49 108.18466 -1119669
+        -gamma 5.4 0
+#HPO4-2              15
+        H+ + PO4-3 = HPO4-2
+        log_k 12.346
+        delta_h -3.53 kcal
+        -gamma 5 0
+#H2PO4-              16
+        2 H+ + PO4-3 = H2PO4-
+        log_k 19.553
+        delta_h -4.52 kcal
+        -gamma 5.4 0
+#MgF+                22
+        Mg+2 + F- = MgF+
+        log_k 1.82
+        delta_h 3.2 kcal
+        -gamma 4.5 0
+#CaSO4               23
+        Ca+2 + SO4-2 = CaSO4
+        log_k 2.3
+        delta_h 1.65 kcal
+#MgOH+               24
+        Mg+2 + H2O = MgOH+ + H+
+        log_k -11.44
+        delta_h 15.952 kcal
+        -gamma 6.5 0
+#H3BO3               25
+        H3BO3 = H2BO3- + H+
+        log_k -9.24
+        delta_h 3.224 kcal
+#       -analytical 24.3919    0.012078   -1343.9    -13.2258
+        -gamma 2.5 0
+#NH3                 26
+        NH4+ = NH3 + H+
+        log_k -9.252
+        delta_h 12.48 kcal
+        -analytic 0.6322 -0.001225 -2835.76
+        -gamma 2.5 0
+#NaHPO4-             30
+        Na+ + HPO4-2 = NaHPO4-
+        log_k 0.29
+        -gamma 5.4 0
+#KHPO4-              32
+        K+ + HPO4-2 = KHPO4-
+        log_k 0.29
+        -gamma 5.4 0
+#MgHPO4              33
+        Mg+2 + HPO4-2 = MgHPO4
+        log_k 2.87
+        delta_h 3.3 kcal
+#CaHPO4              34
+        Ca+2 + HPO4-2 = CaHPO4
+        log_k 2.739
+        delta_h 3.3 kcal
+#CH4 secondary master species
+        CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O
+        log_k 41.071
+        delta_h -61.039 kcal
+#H2CO3               35
+#       HCO3- + H+ = H2CO3
+#       log_k           6.351
+#       delta_h -2.247 kcal
+#       -analytical     356.3094        0.06091960      -21834.37       -126.8339       1684915.0
+#CO2     could be used instead of H2CO3
+        CO3-2 + 2 H+ = CO2 + H2O
+        log_k 16.681
+        delta_h -5.738 kcal
+        -analytical 464.1965 0.09344813 -26986.16 -165.75951 2248628.9
+#HCO3-               68
+        H+ + CO3-2 = HCO3-
+        log_k 10.329
+        delta_h -3.561 kcal
+        -analytical 107.8871 0.03252849 -5151.79 -38.92561 563713.9
+        -gamma 5.4 0
+#NaCO3-              69
+        Na+ + CO3-2 = NaCO3-
+        log_k 1.27
+        delta_h 8.91 kcal
+        -gamma 5.4 0
+#NaHCO3              70
+        Na+ + HCO3- = NaHCO3
+        log_k -0.25
+#NaSO4-              71
+        Na+ + SO4-2 = NaSO4-
+        log_k 0.7
+        delta_h 1.12 kcal
+        -gamma 5.4 0
+#KSO4-               72
+        K+ + SO4-2 = KSO4-
+        log_k 0.85
+        delta_h 2.25 kcal
+        -analytical 3.106 0 -673.6
+        -gamma 5.4 0
+#MgCO3               73
+        Mg+2 + CO3-2 = MgCO3
+        log_k 2.98
+        delta_h 2.713 kcal
+        -analytical 0.991 0.00667
+#MgHCO3+             74
+        Mg+2 + HCO3- = MgHCO3+
+        log_k 1.07
+        delta_h 0.79 kcal
+        -analytical -59.215 0 2537.455 20.92298 0
+        -gamma 4 0
+#MgSO4               75
+        Mg+2 + SO4-2 = MgSO4
+        log_k 2.37
+        delta_h 4.55 kcal
+#CaOH+               76
+        Ca+2 + H2O = CaOH+ + H+
+        log_k -12.78
+        -gamma 6 0
+#CaHCO3+             77
+        Ca+2 + HCO3- = CaHCO3+
+        log_k 1.106
+        delta_h 2.69 kcal
+        -analytical 1209.12 0.31294 -34765.05 -478.782 0
+        -gamma 6 0
+#CaCO3               78
+        Ca+2 + CO3-2 = CaCO3
+        log_k 3.224
+        delta_h 3.545 kcal
+        -analytical -1228.732 -0.299444 35512.75 485.818 0
+#SrHCO3+             79
+        Sr+2 + HCO3- = SrHCO3+
+        log_k 1.18
+        delta_h 6.05 kcal
+        -analytical -3.248 0.014867 0 0 0
+        -gamma 5.4 0
+#AlOH+2              80
+        Al+3 + H2O = AlOH+2 + H+
+        log_k -5
+        delta_h 11.49 kcal
+        -analytical -38.253 0 -656.27 14.327 0
+        -gamma 5.4 0
+#Al(OH)2+            81
+        Al+3 + 2 H2O = Al(OH)2+ + 2 H+
+        log_k -10.1
+        delta_h 26.9 kcal
+        -analytical 88.5 0 -9391.6 -27.121 0
+        -gamma 5.4 0
+#Al(OH)3             336
+        Al+3 + 3 H2O = Al(OH)3 + 3 H+
+        log_k -16.9
+        delta_h 39.89 kcal
+        -analytical 226.374 0 -18247.8 -73.597 0
+#Al(OH)4-            82
+        Al+3 + 4 H2O = Al(OH)4- + 4 H+
+        log_k -22.7
+        delta_h 42.3 kcal
+        -analytical 51.578 0 -11168.9 -14.865 0
+        -gamma 4.5 0
+#AlF+2               83
+        Al+3 + F- = AlF+2
+        log_k 7
+        delta_h 1.06 kcal
+        -gamma 5.4 0
+#AlF2+               84
+        Al+3 + 2 F- = AlF2+
+        log_k 12.7
+        delta_h 1.98 kcal
+        -gamma 5.4 0
+#AlF3                85
+        Al+3 + 3 F- = AlF3
+        log_k 16.8
+        delta_h 2.16 kcal
+#AlF4-               86
+        Al+3 + 4 F- = AlF4-
+        log_k 19.4
+        delta_h 2.2 kcal
+        -gamma 4.5 0
+#AlSO4+              87
+        Al+3 + SO4-2 = AlSO4+
+        log_k 3.5
+        delta_h 2.29 kcal
+        -gamma 4.5 0
+#Al(SO4)2-           88
+        Al+3 + 2 SO4-2 = Al(SO4)2-
+        log_k 5
+        delta_h 3.11 kcal
+        -gamma 4.5 0
+#HSO4-               89
+        H+ + SO4-2 = HSO4-
+        log_k 1.988
+        delta_h 3.85 kcal
+        -analytical -56.889 0.006473 2307.9 19.8858 0
+        -gamma 4.5 0
+#H2S secondary master species   90
+        SO4-2 + 10 H+ + 8 e- = H2S + 4 H2O
+        log_k 40.644
+        delta_h -65.44 kcal
+#HS-                 91
+        H2S = HS- + H+
+        log_k -6.994
+        delta_h 5.3 kcal
+        -analytical 11.17 -0.02386 -3279
+        -gamma 3.5 0
+#S-2                 92
+        HS- = S-2 + H+
+        log_k -12.918
+        delta_h 12.1 kcal
+        -gamma 5 0
+#oxy                 93
+#       0.5H2O = 0.25O2 + H+ + e-
+#       log_k           -20.780
+#       delta_h 34.157000 kcal
+#O2 secondary master species
+        2 H2O = O2 + 4 H+ + 4 e-
+        log_k -86.08
+        delta_h 134.79 kcal
+#H2 secondary master species
+        2 H+ + 2 e- = H2
+        log_k -3.15
+        delta_h -1.759 kcal
+#Fe(OH)2+            102
+        Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+
+        log_k -5.67
+        delta_h 17.1 kcal
+        -gamma 5.4 0
+#Fe(OH)3             103
+        Fe+3 + 3 H2O = Fe(OH)3 + 3 H+
+        log_k -12.56
+        delta_h 24.8 kcal
+#Fe(OH)4-            104
+        Fe+3 + 4 H2O = Fe(OH)4- + 4 H+
+        log_k -21.6
+        delta_h 31.9 kcal
+        -gamma 5.4 0
+#Fe(OH)2             105
+        Fe+2 + 2 H2O = Fe(OH)2 + 2 H+
+        log_k -20.57
+        delta_h 28.565 kcal
+#FeH2PO4+            120
+        Fe+2 + H2PO4- = FeH2PO4+
+        log_k 2.7
+        -gamma 5.4 0
+#CaPO4-              121
+        Ca+2 + PO4-3 = CaPO4-
+        log_k 6.459
+        delta_h 3.1 kcal
+        -gamma 5.4 0
+#CaH2PO4+            122
+        Ca+2 + H2PO4- = CaH2PO4+
+        log_k 1.408
+        delta_h 3.4 kcal
+        -gamma 5.4 0
+#MgPO4-              123
+        Mg+2 + PO4-3 = MgPO4-
+        log_k 6.589
+        delta_h 3.1 kcal
+        -gamma 5.4 0
+#MgH2PO4+            124
+        Mg+2 + H2PO4- = MgH2PO4+
+        log_k 1.513
+        delta_h 3.4 kcal
+        -gamma 5.4 0
+#LiSO4-              126
+        Li+ + SO4-2 = LiSO4-
+        log_k 0.64
+        -gamma 5 0
+#N2  secondary master species
+        2 NO3- + 12 H+ + 10 e- = N2 + 6 H2O
+        log_k 207.08
+        delta_h -312.13 kcal
+#NH4 secondary master species 127
+        NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O
+        log_k 119.077
+        delta_h -187.055 kcal
+#SrOH+               129
+        Sr+2 + H2O = SrOH+ + H+
+        log_k -13.29
+        -gamma 5 0
+#BaOH+               130
+        Ba+2 + H2O = BaOH+ + H+
+        log_k -13.47
+        -gamma 5 0
+#NH4SO4-             131
+        NH4+ + SO4-2 = NH4SO4-
+        log_k 1.11
+        -gamma 5 0
+#SrCO3               135
+        Sr+2 + CO3-2 = SrCO3
+        log_k 2.81
+        delta_h 5.22 kcal
+        -analytical -1.019 0.012826 0 0 0
+        -gamma 5 0
+#O2Sato              136
+#       0.5H2O = 0.25O2(aq) + H+ + e-
+#       log_k           -11.385
+#CO2                 137
+#       CO2 (g) + H2O = H2CO3
+#        -1.468 -4.776  108.38650       0.01985076      -6919.530       -40.45154       -669365.0
+#FeHPO4              138
+        Fe+2 + HPO4-2 = FeHPO4
+        log_k 3.6
+#FeHPO4+             139
+        Fe+3 + HPO4-2 = FeHPO4+
+        log_k 5.43
+        delta_h 5.76 kcal
+        -gamma 5.5 0
+#FeHSO4+             148
+        Fe+2 + HSO4- = FeHSO4+
+        log_k 1.08
+#O2calc              151
+#       0.5H2O = 0.25O2(aq) + H+ + e-
+#       log_k           -20.780
+#       delta_h 33.457 kcal
+#OH-                 152
+        H2O = OH- + H+
+        log_k -14
+        delta_h 13.362 kcal
+        -analytical -283.971 -0.05069842 13323 102.24447 -1119669
+        -gamma 3.5 0
+#FeH2PO4+2           156
+        Fe+3 + H2PO4- = FeH2PO4+2
+        log_k 5.43
+        -gamma 5.4 0
+#FeHSO4+2            159
+        Fe+3 + HSO4- = FeHSO4+2
+        log_k 2.48
+#CaF+                160
+        Ca+2 + F- = CaF+
+        log_k 0.94
+        delta_h 4.12 kcal
+        -gamma 5.5 0
+#BF(OH)3-            161
+        H3BO3 + F- = BF(OH)3-
+        log_k -0.4
+        delta_h 1.85 kcal
+        -gamma 2.5 0
+#BF2(OH)2-           162
+        H3BO3 + H+ + 2 F- = BF2(OH)2- + H2O
+        log_k 7.63
+        delta_h 1.618 kcal
+        -gamma 2.5 0
+#BF3OH-              163
+        H3BO3 + 2 H+ + 3 F- = BF3OH- + 2 H2O
+        log_k 13.67
+        delta_h -1.614 kcal
+        -gamma 2.5 0
+#BF4-                164
+        H3BO3 + 3 H+ + 4 F- = BF4- + 3 H2O
+        log_k 20.28
+        delta_h -1.846 kcal
+        -gamma 2.5 0
+#FeF+2               165
+        Fe+3 + F- = FeF+2
+        log_k 6.2
+        delta_h 2.7 kcal
+        -gamma 5 0
+#FeF2+               166
+        Fe+3 + 2 F- = FeF2+
+        log_k 10.8
+        delta_h 4.8 kcal
+        -gamma 5 0
+#FeF3                167
+        Fe+3 + 3 F- = FeF3
+        log_k 14
+        delta_h 5.4 kcal
+#CaHSO4+             168
+        Ca+2 + HSO4- = CaHSO4+
+        log_k 1.08
+#Mn+3 secondary master species   169
+        Mn+2 = Mn+3 + e-
+        log_k -25.51
+        delta_h 25.8 kcal
+        -gamma 9 0
+#MnCl+               170
+        Mn+2 + Cl- = MnCl+
+        log_k 0.61
+        -gamma 5 0
+#MnCl2               171
+        Mn+2 + 2 Cl- = MnCl2
+        log_k 0.25
+#MnCl3-              172
+        Mn+2 + 3 Cl- = MnCl3-
+        log_k -0.31
+        -gamma 5 0
+#MnOH+               173
+        Mn+2 + H2O = MnOH+ + H+
+        log_k -10.59
+        delta_h 14.4 kcal
+        -gamma 5 0
+#Mn(OH)3-            174
+        Mn+2 + 3 H2O = Mn(OH)3- + 3 H+
+        log_k -34.8
+        -gamma 5 0
+#MnF+                175
+        Mn+2 + F- = MnF+
+        log_k 0.84
+        -gamma 5 0
+#MnSO4               176
+        Mn+2 + SO4-2 = MnSO4
+        log_k 2.25
+        delta_h 3.37 kcal
+#Mn(NO3)2            177
+        Mn+2 + 2 NO3- = Mn(NO3)2
+        log_k 0.6
+        delta_h -0.396 kcal
+#MnHCO3+             178
+        Mn+2 + HCO3- = MnHCO3+
+        log_k 1.95
+        -gamma 5 0
+#MnO4- secondary master species   179
+        Mn+2 + 4 H2O = MnO4- + 8 H+ + 5 e-
+        log_k -127.824
+        delta_h 176.62 kcal
+        -gamma 3 0
+#MnO4-2 secondary master species   180
+        Mn+2 + 4 H2O = MnO4-2 + 8 H+ + 4 e-
+        log_k -118.44
+        delta_h 150.02 kcal
+        -gamma 5 0
+#SiF6-2              201
+        H4SiO4 + 4 H+ + 6 F- = SiF6-2 + 4 H2O
+        log_k 30.18
+        delta_h -16.26 kcal
+        -gamma 5 0
+#HF                  202
+        H+ + F- = HF
+        log_k 3.18
+        delta_h 3.18 kcal
+        -analytical -2.033 0.012645 429.01 0 0
+#HF2-                203
+        H+ + 2 F- = HF2-
+        log_k 3.76
+        delta_h 4.55 kcal
+        -gamma 3.5 0
+#CuCl2-              206
+#       Cu+2 + 2Cl- + e- = CuCl2-
+#       log_k           8.220
+#       delta_h 1.230 kcal
+        Cu+ + 2 Cl- = CuCl2-
+        log_k 5.5
+        delta_h -0.42 kcal
+        -gamma 4 0
+#CuCl3-2             207
+#       Cu+2 + 3Cl- + e- = CuCl3-2
+#       log_k           8.420
+#       delta_h 1.910 kcal
+        Cu+ + 3 Cl- = CuCl3-2
+        log_k 5.7
+        delta_h 0.26 kcal
+        -gamma 5 0
+#Cu+ secondary master species  208
+        Cu+2 + e- = Cu+
+        log_k 2.72
+        delta_h 1.65 kcal
+        -gamma 2.5 0
+#CuCO3               209
+        Cu+2 + CO3-2 = CuCO3
+        log_k 6.73
+#Cu(CO3)2-2          210
+        Cu+2 + 2 CO3-2 = Cu(CO3)2-2
+        log_k 9.83
+#CuCl+               211
+        Cu+2 + Cl- = CuCl+
+        log_k 0.43
+        delta_h 8.65 kcal
+        -gamma 4 0
+#CuCl2               212
+        Cu+2 + 2 Cl- = CuCl2
+        log_k 0.16
+        delta_h 10.56 kcal
+#CuCl3-              213
+        Cu+2 + 3 Cl- = CuCl3-
+        log_k -2.29
+        delta_h 13.69 kcal
+        -gamma 4 0
+#CuCl4-2             214
+        Cu+2 + 4 Cl- = CuCl4-2
+        log_k -4.59
+        delta_h 17.78 kcal
+        -gamma 5 0
+#CuF+                215
+        Cu+2 + F- = CuF+
+        log_k 1.26
+        delta_h 1.62 kcal
+#CuOH+               216
+        Cu+2 + H2O = CuOH+ + H+
+        log_k -8
+        -gamma 4 0
+#Cu(OH)2             217
+        Cu+2 + 2 H2O = Cu(OH)2 + 2 H+
+        log_k -13.68
+#Cu(OH)3-            218
+        Cu+2 + 3 H2O = Cu(OH)3- + 3 H+
+        log_k -26.9
+#Cu(OH)4-2           219
+        Cu+2 + 4 H2O = Cu(OH)4-2 + 4 H+
+        log_k -39.6
+#Cu2(OH)2+2          220
+        2 Cu+2 + 2 H2O = Cu2(OH)2+2 + 2 H+
+        log_k -10.359
+        delta_h 17.539 kcal
+        -analytical 2.497 0 -3833 0 0
+#CuSO4               221
+        Cu+2 + SO4-2 = CuSO4
+        log_k 2.31
+        delta_h 1.22 kcal
+#Cu(HS)3-            222
+        Cu+2 + 3 HS- = Cu(HS)3-
+        log_k 25.9
+#ZnCl+               251
+        Zn+2 + Cl- = ZnCl+
+        log_k 0.43
+        delta_h 7.79 kcal
+        -gamma 4 0
+#ZnCl2               252
+        Zn+2 + 2 Cl- = ZnCl2
+        log_k 0.45
+        delta_h 8.5 kcal
+#ZnCl3-              253
+        Zn+2 + 3 Cl- = ZnCl3-
+        log_k 0.5
+        delta_h 9.56 kcal
+        -gamma 4 0
+#ZnCl4-2             254
+        Zn+2 + 4 Cl- = ZnCl4-2
+        log_k 0.2
+        delta_h 10.96 kcal
+        -gamma 5 0
+#ZnF+                255
+        Zn+2 + F- = ZnF+
+        log_k 1.15
+        delta_h 2.22 kcal
+#ZnOH+               256
+        Zn+2 + H2O = ZnOH+ + H+
+        log_k -8.96
+        delta_h 13.4 kcal
+#Zn(OH)2             257
+        Zn+2 + 2 H2O = Zn(OH)2 + 2 H+
+        log_k -16.9
+#Zn(OH)3-            258
+        Zn+2 + 3 H2O = Zn(OH)3- + 3 H+
+        log_k -28.4
+#Zn(OH)4-2           259
+        Zn+2 + 4 H2O = Zn(OH)4-2 + 4 H+
+        log_k -41.2
+#ZnOHCl              260
+        Zn+2 + H2O + Cl- = ZnOHCl + H+
+        log_k -7.48
+#Zn(HS)2             261
+        Zn+2 + 2 HS- = Zn(HS)2
+        log_k 14.94
+#Zn(HS)3-            262
+        Zn+2 + 3 HS- = Zn(HS)3-
+        log_k 16.1
+#ZnSO4               263
+        Zn+2 + SO4-2 = ZnSO4
+        log_k 2.37
+        delta_h 1.36 kcal
+#Zn(SO4)2-2          264
+        Zn+2 + 2 SO4-2 = Zn(SO4)2-2
+        log_k 3.28
+#CdCl+               294
+        Cd+2 + Cl- = CdCl+
+        log_k 1.98
+        delta_h 0.59 kcal
+#CdCl2               295
+        Cd+2 + 2 Cl- = CdCl2
+        log_k 2.6
+        delta_h 1.24 kcal
+#CdCl3-              296
+        Cd+2 + 3 Cl- = CdCl3-
+        log_k 2.4
+        delta_h 3.9 kcal
+#CdF+                297
+        Cd+2 + F- = CdF+
+        log_k 1.1
+#CdF2                298
+        Cd+2 + 2 F- = CdF2
+        log_k 1.5
+#Cd(CO3)2-2          299
+        Cd+2 + 2 CO3-2 = Cd(CO3)2-2
+        log_k 6.4
+#CdOH+               300
+        Cd+2 + H2O = CdOH+ + H+
+        log_k -10.08
+        delta_h 13.1 kcal
+#Cd(OH)2             301
+        Cd+2 + 2 H2O = Cd(OH)2 + 2 H+
+        log_k -20.35
+#Cd(OH)3-            302
+        Cd+2 + 3 H2O = Cd(OH)3- + 3 H+
+        log_k -33.3
+#Cd(OH)4-2           303
+        Cd+2 + 4 H2O = Cd(OH)4-2 + 4 H+
+        log_k -47.35
+#Cd2OH+3             304
+        2 Cd+2 + H2O = Cd2OH+3 + H+
+        log_k -9.39
+        delta_h 10.9 kcal
+#CdOHCl              305
+        Cd+2 + H2O + Cl- = CdOHCl + H+
+        log_k -7.404
+        delta_h 4.355 kcal
+#CdNO3+              306
+        Cd+2 + NO3- = CdNO3+
+        log_k 0.4
+        delta_h -5.2 kcal
+#CdSO4               307
+        Cd+2 + SO4-2 = CdSO4
+        log_k 2.46
+        delta_h 1.08 kcal
+#CdHS+               308
+        Cd+2 + HS- = CdHS+
+        log_k 10.17
+#Cd(HS)2             309
+        Cd+2 + 2 HS- = Cd(HS)2
+        log_k 16.53
+#Cd(HS)3-            310
+        Cd+2 + 3 HS- = Cd(HS)3-
+        log_k 18.71
+#Cd(HS)4-2           311
+        Cd+2 + 4 HS- = Cd(HS)4-2
+        log_k 20.9
+#Fe(SO4)2-           333
+        Fe+3 + 2 SO4-2 = Fe(SO4)2-
+        log_k 5.38
+        delta_h 4.6 kcal
+#Fe2(OH)2+4          334
+        2 Fe+3 + 2 H2O = Fe2(OH)2+4 + 2 H+
+        log_k -2.95
+        delta_h 13.5 kcal
+#Fe3(OH)4+5          335
+        3 Fe+3 + 4 H2O = Fe3(OH)4+5 + 4 H+
+        log_k -6.3
+        delta_h 14.3 kcal
+#PbCl+               341
+        Pb+2 + Cl- = PbCl+
+        log_k 1.6
+        delta_h 4.38 kcal
+#PbCl2               342
+        Pb+2 + 2 Cl- = PbCl2
+        log_k 1.8
+        delta_h 1.08 kcal
+#PbCl3-              343
+        Pb+2 + 3 Cl- = PbCl3-
+        log_k 1.7
+        delta_h 2.17 kcal
+#PbCl4-2             344
+        Pb+2 + 4 Cl- = PbCl4-2
+        log_k 1.38
+        delta_h 3.53 kcal
+#Pb(CO3)2-2          345
+        Pb+2 + 2 CO3-2 = Pb(CO3)2-2
+        log_k 10.64
+#PbF+                346
+        Pb+2 + F- = PbF+
+        log_k 1.25
+#PbF2                347
+        Pb+2 + 2 F- = PbF2
+        log_k 2.56
+#PbF3-               348
+        Pb+2 + 3 F- = PbF3-
+        log_k 3.42
+#PbF4-2              349
+        Pb+2 + 4 F- = PbF4-2
+        log_k 3.1
+#PbOH+               350
+        Pb+2 + H2O = PbOH+ + H+
+        log_k -7.71
+#Pb(OH)2             351
+        Pb+2 + 2 H2O = Pb(OH)2 + 2 H+
+        log_k -17.12
+#Pb(OH)3-            352
+        Pb+2 + 3 H2O = Pb(OH)3- + 3 H+
+        log_k -28.06
+#Pb2OH+3             353
+        2 Pb+2 + H2O = Pb2OH+3 + H+
+        log_k -6.36
+#PbNO3+              354
+        Pb+2 + NO3- = PbNO3+
+        log_k 1.17
+#PbSO4               355
+        Pb+2 + SO4-2 = PbSO4
+        log_k 2.75
+#Pb(HS)2             356
+        Pb+2 + 2 HS- = Pb(HS)2
+        log_k 15.27
+#Pb(HS)3-            357
+        Pb+2 + 3 HS- = Pb(HS)3-
+        log_k 16.57
+#Pb3(OH)4+2          358
+        3 Pb+2 + 4 H2O = Pb3(OH)4+2 + 4 H+
+        log_k -23.88
+        delta_h 26.5 kcal
+#FeF+                359
+        Fe+2 + F- = FeF+
+        log_k 1
+#AlHSO4+2            397
+        Al+3 + HSO4- = AlHSO4+2
+        log_k 0.46
+#NO2 secondary master species   400
+        NO3- + 2 H+ + 2 e- = NO2- + H2O
+        log_k 28.57
+        delta_h -43.76 kcal
+#NiBr+               403
+        Ni+2 + Br- = NiBr+
+        log_k 0.5
+#NiCl+               404
+        Ni+2 + Cl- = NiCl+
+        log_k 0.4
+#NiF+                405
+        Ni+2 + F- = NiF+
+        log_k 1.3
+#NiOH+               406
+        Ni+2 + H2O = NiOH+ + H+
+        log_k -9.86
+        delta_h 12.42 kcal
+#Ni(OH)2             407
+        Ni+2 + 2 H2O = Ni(OH)2 + 2 H+
+        log_k -19
+#Ni(OH)3-            408
+        Ni+2 + 3 H2O = Ni(OH)3- + 3 H+
+        log_k -30
+#NiSO4               409
+        Ni+2 + SO4-2 = NiSO4
+        log_k 2.29
+        delta_h 1.52 kcal
+#AgBr                421
+        Ag+ + Br- = AgBr
+        log_k 4.24
+#AgBr2-              422
+        Ag+ + 2 Br- = AgBr2-
+        log_k 7.28
+#AgCl                423
+        Ag+ + Cl- = AgCl
+        log_k 3.27
+        delta_h -2.68 kcal
+#AgCl2-              424
+        Ag+ + 2 Cl- = AgCl2-
+        log_k 5.27
+        delta_h -3.93 kcal
+#AgCl3-2             425
+        Ag+ + 3 Cl- = AgCl3-2
+        log_k 5.29
+#AgCl4-3             426
+        Ag+ + 4 Cl- = AgCl4-3
+        log_k 5.51
+#AgF                 427
+        Ag+ + F- = AgF
+        log_k 0.36
+        delta_h -2.83 kcal
+#AgHS                428
+        Ag+ + HS- = AgHS
+        log_k 14.05
+#Ag(HS)2-            429
+        Ag+ + 2 HS- = Ag(HS)2-
+        log_k 18.45
+#AgI                 430
+        Ag+ + I- = AgI
+        log_k 6.6
+#AgI2-               431
+        Ag+ + 2 I- = AgI2-
+        log_k 10.68
+#AgOH                432
+        Ag+ + H2O = AgOH + H+
+        log_k -12
+#Ag(OH)2-            433
+        Ag+ + 2 H2O = Ag(OH)2- + 2 H+
+        log_k -24
+#AgSO4-              434
+        Ag+ + SO4-2 = AgSO4-
+        log_k 1.29
+        delta_h 1.49 kcal
+#AgNO3               435
+        Ag+ + NO3- = AgNO3
+        log_k -0.29
+#Ag(NO2)2-           436
+        Ag+ + 2 NO2- = Ag(NO2)2-
+        log_k 2.22
+#ZnBr+               447
+        Zn+2 + Br- = ZnBr+
+        log_k -0.58
+#ZnBr2               448
+        Zn+2 + 2 Br- = ZnBr2
+        log_k -0.98
+#ZnI+                449
+        Zn+2 + I- = ZnI+
+        log_k -2.91
+#ZnI2                450
+        Zn+2 + 2 I- = ZnI2
+        log_k -1.69
+#CdBr+               451
+        Cd+2 + Br- = CdBr+
+        log_k 2.17
+        delta_h -0.81 kcal
+#CdBr2               452
+        Cd+2 + 2 Br- = CdBr2
+        log_k 2.9
+#CdI+                453
+        Cd+2 + I- = CdI+
+        log_k 2.15
+        delta_h -2.37 kcal
+#CdI2                454
+        Cd+2 + 2 I- = CdI2
+        log_k 3.59
+#PbBr+               455
+        Pb+2 + Br- = PbBr+
+        log_k 1.77
+        delta_h 2.88 kcal
+#PbBr2               456
+        Pb+2 + 2 Br- = PbBr2
+        log_k 1.44
+#PbI+                457
+        Pb+2 + I- = PbI+
+        log_k 1.94
+#PbI2                458
+        Pb+2 + 2 I- = PbI2
+        log_k 3.2
+#PbCO3               468
+        Pb+2 + CO3-2 = PbCO3
+        log_k 7.24
+#Pb(OH)4-2           469
+        Pb+2 + 4 H2O = Pb(OH)4-2 + 4 H+
+        log_k -39.7
+#Pb(SO4)2-2          470
+        Pb+2 + 2 SO4-2 = Pb(SO4)2-2
+        log_k 3.47
+#AgBr3-2             473
+        Ag+ + 3 Br- = AgBr3-2
+        log_k 8.71
+#AgI3-2              474
+        Ag+ + 3 I- = AgI3-2
+        log_k 13.37
+        delta_h -27.03 kcal
+#AgI4-3              475
+        Ag+ + 4 I- = AgI4-3
+        log_k 14.08
+#Fe(HS)2             476
+        Fe+2 + 2 HS- = Fe(HS)2
+        log_k 8.95
+#Fe(HS)3-            477
+        Fe+2 + 3 HS- = Fe(HS)3-
+        log_k 10.987
+#H2AsO3- 		478
+	H3AsO3 = H2AsO3- + H+
+	log_k -9.15
+	delta_h 27.54 kJ
+#HAsO3-2 		479
+	H3AsO3 = HAsO3-2 + 2 H+
+	log_k -23.85
+	delta_h 59.41 kJ
+#AsO3-3 		480
+	H3AsO3 = AsO3-3 + 3 H+
+	log_k -39.55
+	delta_h 84.73 kJ
+#H4AsO3+             481
+  H3AsO3 + H+ = H4AsO3+
+  log_k -0.305
+#H2AsO4- 		482
+	H3AsO4 = H2AsO4- + H+
+	log_k -2.3
+	delta_h -7.066 kJ
+#HAsO4-2 		483
+	H3AsO4 = HAsO4-2 + 2 H+
+	log_k -9.46
+	delta_h -3.846 kJ
+#AsO43- 		484
+	H3AsO4 = AsO4-3 + 3 H+
+	log_k -21.11
+	delta_h 14.354 kJ
+#As3  secondary master species   487
+	H3AsO4 + H2 = H3AsO3 + H2O
+	log_k 22.5
+	delta_h -117.480344 kJ
+#As3S4(HS)-2 		631
+	3 H3AsO3 + 6 HS- + 5 H+ = As3S4(HS)2- + 9 H2O
+	log_k 72.314
+        -gamma 5 0
+#AsS(OH)(HS)- 		637
+	H3AsO3 + 2 HS- + H+ = AsS(OH)(HS)- + 2 H2O
+	log_k 18.038
+        -gamma 5 0
+#
+#  TURNING OFF CHECKING FOR EQUATION BALANCE FOR
+#  POLYSULFIDES
+#
+#Cu(S4)2-3           485                       # Default redox will be used for the electron
+#       Cu+2 + 2HS- + e- = Cu(S4)2-3 + 2H+     # (lhs) +6S
+#       log_k           6.109
+#       -no_check
+#       -mass_balance CuS(-2)8
+#       -gamma  23.0    0.0
+#CuS4S5-3            486                # Default redox will be used for the electron
+#       Cu+2 + 2HS- + e- = CuS4S5-3 + 2H+ # (lhs) +7S
+#       log_k           5.382
+#       -no_check
+#       -mass_balance CuS(-2)9
+#       -gamma  25.0    0.0
+#As3/As5             487
+#       H3AsO3 + H2O = H3AsO4 + 2H+ + 2e-
+#       log_k           -18.897
+#       delta_h 30.015 kcal
+#S2-2                502
+        HS- = S2-2 + H+ # (lhs) +S
+        log_k -14.528
+        delta_h 11.4 kcal
+        -no_check
+        -mass_balance S(-2)2
+        -gamma 6.5 0
+#S3-2                503
+        HS- = S3-2 + H+ # (lhs) +2S
+        log_k -13.282
+        delta_h 10.4 kcal
+        -no_check
+        -mass_balance S(-2)3
+        -gamma 8 0
+#S4-2                504
+        HS- = S4-2 + H+ # (lhs) +3S
+        log_k -9.829
+        delta_h 9.7 kcal
+        -no_check
+        -mass_balance S(-2)4
+        -gamma 10 0
+#S5-2                505
+        HS- = S5-2 + H+ # (lhs) +4S
+        log_k -9.595
+        delta_h 9.3 kcal
+        -no_check
+        -mass_balance S(-2)5
+        -gamma 12 0
+#S6-2                506
+        HS- = S6-2 + H+ # (lhs) +5S
+        log_k -9.881
+        -no_check
+        -mass_balance S(-2)6
+        -gamma 14 0
+#Ag(S4)2-3           507
+        Ag+ + 2 HS- = Ag(S4)2-3 + 2 H+ # (lhs) +6S
+        log_k 0.991
+        -no_check
+        -mass_balance AgS(-2)8
+        -gamma 22 0
+#Ag(S4)S5-3          508
+        Ag+ + 2 HS- = Ag(S4)S5-3 + 2 H+ # (lhs) +7S
+        log_k 0.68
+        -no_check
+        -mass_balance AgS(-2)9
+        -gamma 24 0
+#AgHS(S4)-2          509                # (lhs) +3S
+        Ag+ + 2 HS- = AgHS(S4)-2 + H+
+        log_k 10.43
+        -no_check
+        -mass_balance AgHS(-2)5
+        -gamma 15 0
+#
+#       END OF POLYSULFIDES
+#
+#CuHCO3+             510
+        Cu+2 + HCO3- = CuHCO3+
+        log_k 2.7
+#ZnHCO3+             511
+        Zn+2 + HCO3- = ZnHCO3+
+        log_k 2.1
+#ZnCO3               512
+        Zn+2 + CO3-2 = ZnCO3
+        log_k 5.3
+#Zn(CO3)2-2          513
+        Zn+2 + 2 CO3-2 = Zn(CO3)2-2
+        log_k 9.63
+#CdHCO3              514
+        Cd+2 + HCO3- = CdHCO3+
+        log_k 1.5
+#CdCO3               515
+        Cd+2 + CO3-2 = CdCO3
+        log_k 2.9
+#Cd(SO4)2-2          516
+        Cd+2 + 2 SO4-2 = Cd(SO4)2-2
+        log_k 3.5
+#PbHCO3+             517
+        Pb+2 + HCO3- = PbHCO3+
+        log_k 2.9
+#NiCl2               518
+        Ni+2 + 2 Cl- = NiCl2
+        log_k 0.96
+#NiHCO3+             519
+        Ni+2 + HCO3- = NiHCO3+
+        log_k 2.14
+#NiCO3               520
+        Ni+2 + CO3-2 = NiCO3
+        log_k 6.87
+#Ni(CO3)2-2          521
+        Ni+2 + 2 CO3-2 = Ni(CO3)2-2
+        log_k 10.11
+#Ni(SO4)2-2          522
+        Ni+2 + 2 SO4-2 = Ni(SO4)2-2
+        log_k 1.02
+#HFulvate            523
+        H+ + Fulvate-2 = HFulvate-
+        log_k 4.27
+#HHumate             524
+        H+ + Humate-2 = HHumate-
+        log_k 4.27
+#FeFulvate           525
+        Fe+3 + Fulvate-2 = FeFulvate+
+        log_k 9.4
+#FeHumate            526
+        Fe+3 + Humate-2 = FeHumate+
+        log_k 9.4
+#CuFulvate           527
+        Cu+2 + Fulvate-2 = CuFulvate
+        log_k 6.2
+#CuHumate            528
+        Cu+2 + Humate-2 = CuHumate
+        log_k 6.2
+#CdFulvate           529
+        Cd+2 + Fulvate-2 = CdFulvate
+        log_k 3.5
+#CdHumate            530
+        Cd+2 + Humate-2 = CdHumate
+        log_k 3.5
+#AgFulvate           531
+        Ag+ + Fulvate-2 = AgFulvate-
+        log_k 2.4
+#AgHumate            532
+        Ag+ + Humate-2 = AgHumate-
+        log_k 2.4
+#H2F2                537
+        2 H+ + 2 F- = H2F2
+        log_k 6.768
+#peS/H2S             538
+#       S + 2H+ + 2e- = H2S
+#       4.882   -9.5
+#NaF                 540
+        Na+ + F- = NaF
+        log_k -0.24
+#FeCl+               542
+        Fe+2 + Cl- = FeCl+
+        log_k 0.14
+        -gamma 5 0
+#BaSO4               543
+        Ba+2 + SO4-2 = BaSO4
+        log_k 2.7
+#HSe- secondary master species   549
+        SeO3-2 + 7 H+ + 6 e- = HSe- + 3 H2O
+        log_k 42.514
+#H2Se                544
+        HSe- + H+ = H2Se
+        log_k 3.8
+        delta_h -5.3 kcal
+#SeO3-2 secondary master species   548
+        SeO4-2 + 2 H+ + 2 e- = SeO3-2 + H2O
+        log_k 30.256
+#H2SeO3              545
+        SeO3-2 + 2 H+ = H2SeO3
+        log_k 11.25
+#HSeO3-              546
+        SeO3-2 + H+ = HSeO3-
+        log_k 8.5
+#HSeO4-              547
+        SeO4-2 + H+ = HSeO4-
+        log_k 1.66
+        delta_h 4.91 kcal
+#Se4/Se6             548
+#       SeO3-2 + H2O = SeO4-2 + 2H+ + 2e-
+#       -30.256 0.0
+#Se4/Se-2            549
+#       SeO3-2 + 7H+ + 6e- = HSe- + 3H2O
+#       42.514  0.0
+#As3/As              557
+#       H3AsO3 + 3H+ + 3e- = As + 3H2O
+#       12.170  0.0
+#FeHCO3+             558
+        Fe+2 + HCO3- = FeHCO3+
+        log_k 2
+#FeCO3               559
+        Fe+2 + CO3-2 = FeCO3
+        log_k 4.38
+#MnCO3               560
+        Mn+2 + CO3-2 = MnCO3
+        log_k 4.9
+#BaHCO3+             561
+        Ba+2 + HCO3- = BaHCO3+
+        log_k 0.982
+        delta_h 5.56 kcal
+        -analytical -3.0938 0.013669 0 0 0
+#BaCO3               562
+        Ba+2 + CO3-2 = BaCO3
+        log_k 2.71
+        delta_h 3.55 kcal
+        -analytical 0.113 0.008721 0 0 0
+#SrSO4               563
+        Sr+2 + SO4-2 = SrSO4
+        log_k 2.29
+        delta_h 2.08 kcal
+#U+4 secondary master species   565
+        UO2+2 + 4 H+ + 2 e- = U+4 + 2 H2O
+        log_k 9.04
+        delta_h -34.43 kcal
+#U+3 secondary master species   566
+        U+4 + e- = U+3
+        log_k -8.796
+        delta_h 24.4 kcal
+#UOH+3               567
+        U+4 + H2O = UOH+3 + H+
+        log_k -0.54
+        delta_h 11.21 kcal
+#U(OH)2+2            568
+        U+4 + 2 H2O = U(OH)2+2 + 2 H+
+        log_k -2.27
+        delta_h 17.73 kcal
+#U(OH)3+             569
+        U+4 + 3 H2O = U(OH)3+ + 3 H+
+        log_k -4.935
+        delta_h 22.645 kcal
+#U(OH)4              570
+        U+4 + 4 H2O = U(OH)4 + 4 H+
+        log_k -8.498
+        delta_h 24.76 kcal
+#U6(OH)15+9          572
+        6 U+4 + 15 H2O = U6(OH)15+9 + 15 H+
+        log_k -17.2
+#UF+3                578
+        U+4 + F- = UF+3
+        log_k 9.3
+        delta_h -1.3 kcal
+#UF2+2               579
+        U+4 + 2 F- = UF2+2
+        log_k 16.22
+        delta_h -0.8 kcal
+#UF3+                580
+        U+4 + 3 F- = UF3+
+        log_k 21.6
+        delta_h 0.1 kcal
+#UF4                 581
+        U+4 + 4 F- = UF4
+        log_k 25.5
+        delta_h -0.87 kcal
+#UF5-                582
+        U+4 + 5 F- = UF5-
+        log_k 27.01
+        delta_h 4.85 kcal
+#UF6-2               583
+        U+4 + 6 F- = UF6-2
+        log_k 29.1
+        delta_h 3.3 kcal
+#UCl+3               586
+        U+4 + Cl- = UCl+3
+        log_k 1.72
+        delta_h -4.54 kcal
+#USO4+2              587
+        U+4 + SO4-2 = USO4+2
+        log_k 6.58
+        delta_h 1.9 kcal
+#U(SO4)2             588
+        U+4 + 2 SO4-2 = U(SO4)2
+        log_k 10.5
+        delta_h 7.8 kcal
+#U(CO3)4-4           589
+        U+4 + 4 CO3-2 = U(CO3)4-4
+        log_k 32.9
+#U(CO3)5-6           590
+        U+4 + 5 CO3-2 = U(CO3)5-6
+        log_k 34
+        delta_h 20 kcal
+#UO2+ secondary master species   595
+        UO2+2 + e- = UO2+
+        log_k 1.49
+        delta_h -3.3 kcal
+#UO2OH+              596
+        UO2+2 + H2O = UO2OH+ + H+
+        log_k -5.2
+        delta_h 11.015 kcal
+#(UO2)2(OH)2+2       597
+        2 UO2+2 + 2 H2O = (UO2)2(OH)2+2 + 2 H+
+        log_k -5.62
+        delta_h 10.23 kcal
+#(UO2)3(OH)5+        598
+        3 UO2+2 + 5 H2O = (UO2)3(OH)5+ + 5 H+
+        log_k -15.55
+        delta_h 25.075 kcal
+#UO2CO3              603
+        UO2+2 + CO3-2 = UO2CO3
+        log_k 9.63
+        delta_h 1.2 kcal
+#UO2(CO3)2-2         604
+        UO2+2 + 2 CO3-2 = UO2(CO3)2-2
+        log_k 17
+        delta_h 4.42 kcal
+#UO2(CO3)3-4         605
+        UO2+2 + 3 CO3-2 = UO2(CO3)3-4
+        log_k 21.63
+        delta_h -9.13 kcal
+#UO2F+               607
+        UO2+2 + F- = UO2F+
+        log_k 5.09
+        delta_h 0.41 kcal
+#UO2F2               608
+        UO2+2 + 2 F- = UO2F2
+        log_k 8.62
+        delta_h 0.5 kcal
+#UO2F3-              609
+        UO2+2 + 3 F- = UO2F3-
+        log_k 10.9
+        delta_h 0.56 kcal
+#UO2F4-2             610
+        UO2+2 + 4 F- = UO2F4-2
+        log_k 11.7
+        delta_h 0.07 kcal
+#UO2Cl+              611
+        UO2+2 + Cl- = UO2Cl+
+        log_k 0.17
+        delta_h 1.9 kcal
+#UO2SO4              612
+        UO2+2 + SO4-2 = UO2SO4
+        log_k 3.15
+        delta_h 4.7 kcal
+#UO2(SO4)2-2         613
+        UO2+2 + 2 SO4-2 = UO2(SO4)2-2
+        log_k 4.14
+        delta_h 8.4 kcal
+#UO2HPO4             614
+        UO2+2 + PO4-3 + H+ = UO2HPO4
+        log_k 20.21
+        delta_h -2.1 kcal
+#UO2(HPO4)2-2         615
+        UO2+2 + 2 PO4-3 + 2 H+ = UO2(HPO4)2-2
+        log_k 43.441
+        delta_h -11.8 kcal
+#UO2H2PO4+           616
+        UO2+2 + PO4-3 + 2 H+ = UO2H2PO4+
+        log_k 22.87
+        delta_h -3.7 kcal
+#UO2H2PO4)2          617
+        UO2+2 + 2 PO4-3 + 4 H+ = UO2(H2PO4)2
+        log_k 44.38
+        delta_h -16.5 kcal
+#UO2H2PO4)3-         618
+        UO2+2 + 3 PO4-3 + 6 H+ = UO2(H2PO4)3-
+        log_k 66.245
+        delta_h -28.6 kcal
+#UBr+3               633
+        U+4 + Br- = UBr+3
+        log_k 1.5
+#UI+3                634
+        U+4 + I- = UI+3
+        log_k 1.3
+#UNO3+3              635
+        U+4 + NO3- = UNO3+3
+        log_k 1.47
+#U(NO3)2+2           636
+        U+4 + 2 NO3- = U(NO3)2+2
+        log_k 2.3
+#UO2(OH)3-           638
+        UO2+2 + 3 H2O = UO2(OH)3- + 3 H+
+        log_k -19.2
+#UO2(OH)4-2          639
+        UO2+2 + 4 H2O = UO2(OH)4-2 + 4 H+
+        log_k -33
+#(UO2)2OH+3          640
+        2 UO2+2 + H2O = (UO2)2OH+3 + H+
+        log_k -2.7
+#(UO2)3(OH)4+2       641
+        3 UO2+2 + 4 H2O = (UO2)3(OH)4+2 + 4 H+
+        log_k -11.9
+#(UO2)3(OH)7-        642
+        3 UO2+2 + 7 H2O = (UO2)3(OH)7- + 7 H+
+        log_k -31
+#(UO2)4(OH)7+        643
+        4 UO2+2 + 7 H2O = (UO2)4(OH)7+ + 7 H+
+        log_k -21.9
+#UO2Cl2              644
+        UO2+2 + 2 Cl- = UO2Cl2
+        log_k -1.1
+        delta_h 3.6 kcal
+#UO2Br+              645
+        UO2+2 + Br- = UO2Br+
+        log_k 0.22
+#UO2NO3+             646
+        UO2+2 + NO3- = UO2NO3+
+        log_k 0.3
+#UO2H3PO4+2          647
+        UO2+2 + PO4-3 + 3 H+ = UO2H3PO4+2
+        log_k 22.813
+#(UO2)3(CO3)6-6      648
+        3 UO2+2 + 6 CO3-2 = (UO2)3(CO3)6-6
+        log_k 54
+#UO2PO4-             649
+        UO2+2 + PO4-3 = UO2PO4-
+        log_k 13.69
+#UO2(CO3)3-5         650
+#       UO2+2 + 3CO3-2 + e- = UO2(CO3)3-5
+#       log_k           8.920
+        UO2+ + 3 CO3-2 = UO2(CO3)3-5
+        log_k 7.43
+        delta_h 3.33 kcal
+PHASES
+H2O(g)
+        H2O = H2O
+        log_k 1.51
+        delta_h -44.03 kJ
+#    Stumm and Morgan, from NBS and Robie, Hemmingway, and Fischer (1978)
+Siderite(d)(3) 9
+        FeCO3 = Fe+2 + CO3-2
+        log_k -10.45
+Magnesite 10
+        MgCO3 = Mg+2 + CO3-2
+        log_k -8.029
+        delta_h -6.169 kcal
+Dolomite(d) 11
+        CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2
+        log_k -16.54
+        delta_h -11.09 kcal
+Calcite 12
+        CaCO3 = Ca+2 + CO3-2
+        log_k -8.48
+        delta_h -2.297 kcal
+        -analytical -171.9065 -0.077993 2839.319 71.595 0
+Anhydrite 17
+        CaSO4 = Ca+2 + SO4-2
+        log_k -4.36
+        delta_h -1.71 kcal
+        -analytical 197.52 0 -8669.8 -69.835 0
+Gypsum 18
+        CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O
+        log_k -4.58
+        delta_h -0.109 kcal
+        -analytical 68.2401 0 -3221.51 -25.0627 0
+Brucite 19
+        Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O
+        log_k 16.84
+        delta_h -27.1 kcal
+Chrysotile 20
+        Mg3Si2O5(OH)4 + 6 H+ = 3 Mg+2 + 2 H4SiO4 + H2O
+        log_k 32.2
+        delta_h -46.8 kcal
+        -analytical 13.248 0 10217.1 -6.1894 0
+Aragonite 21
+        CaCO3 = Ca+2 + CO3-2
+        log_k -8.336
+        delta_h -2.589 kcal
+        -analytical -171.9773 -0.077993 2903.293 71.595 0
+Forsterite 27
+        Mg2SiO4 + 4 H+ = 2 Mg+2 + H4SiO4
+        log_k 28.306
+        delta_h -48.578 kcal
+Diopside 28
+        CaMgSi2O6 + 4 H+ + 2 H2O = Ca+2 + Mg+2 + 2 H4SiO4
+        log_k 19.894
+        delta_h -32.348 kcal
+Clinoenstatite 29
+        MgSiO3 + 2 H+ + H2O = Mg+2 + H4SiO4
+        log_k 11.342
+        delta_h -20.049 kcal
+Tremolite 31
+        Ca2Mg5Si8O22(OH)2 + 14 H+ + 8 H2O = 2 Ca+2 + 5 Mg+2 + 8 H4SiO4
+        log_k 56.574
+        delta_h -96.853 kcal
+Sepiolite 36
+        Mg2Si3O7.5OH:3H2O + 0.5 H2O + 4 H+ = 2 Mg+2 + 3 H4SiO4
+        log_k 15.76
+        delta_h -10.7 kcal
+Talc 37
+        Mg3Si4O10(OH)2 + 4 H2O + 6 H+ = 3 Mg+2 + 4 H4SiO4
+        log_k 21.399
+        delta_h -46.352 kcal
+Hydromagnesite 38
+        Mg5(CO3)4(OH)2:4H2O + 2 H+ = 5 Mg+2 + 4 CO3-2 + 6 H2O
+        log_k -8.762
+        delta_h -52.244 kcal
+Adularia 39
+        KAlSi3O8 + 8 H2O = K+ + Al(OH)4- + 3 H4SiO4
+        log_k -20.573
+        delta_h 30.82 kcal
+Albite 40
+        NaAlSi3O8 + 8 H2O = Na+ + Al(OH)4- + 3 H4SiO4
+        log_k -18.002
+        delta_h 25.896 kcal
+Anorthite 41
+        CaAl2Si2O8 + 8 H2O = Ca+2 + 2 Al(OH)4- + 2 H4SiO4
+        log_k -19.714
+        delta_h 11.58 kcal
+Analcime 42
+        NaAlSi2O6:H2O + 5 H2O = Na+ + Al(OH)4- + 2 H4SiO4
+        log_k -12.701
+        delta_h 18.206 kcal
+Kmica 43
+        KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 H4SiO4
+        log_k 12.703
+        delta_h -59.376 kcal
+Phlogopite 44
+        KMg3AlSi3O10(OH)2 + 10 H+ = K+ + 3 Mg+2 + Al+3 + 3 H4SiO4
+        log_k 43.3
+        delta_h -42.3 kcal
+Illite 45
+        K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2 H2O = 0.6 K+ + 0.25 Mg+2 + 2.3 Al(OH)4- + 3.5 H4SiO4 + 1.2 H+
+        log_k -40.267
+        delta_h 54.684 kcal
+Kaolinite 46
+        Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 H4SiO4 + H2O
+        log_k 7.435
+        delta_h -35.3 kcal
+Halloysite 47
+        Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 H4SiO4 + H2O
+        log_k 12.498
+        delta_h -39.92 kcal
+Beidellite 48
+        (NaKMg0.5)0.11Al2.33Si3.67O10(OH)2 + 12 H2O = 0.11 Na+ + 0.11 K+ + 0.055 Mg+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+
+        log_k -45.272
+        delta_h 60.355 kcal
+Chlorite14A 49
+        Mg5Al2Si3O10(OH)8 + 16 H+ = 5 Mg+2 + 2 Al+3 + 3 H4SiO4 + 6 H2O
+        log_k 68.38
+        delta_h -151.494 kcal
+Alunite 50
+        KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6 H2O
+        log_k -1.4
+        delta_h -50.25 kcal
+Gibbsite 51
+        Al(OH)3 + 3 H+ = Al+3 + 3 H2O
+        log_k 8.11
+        delta_h -22.8 kcal
+Boehmite 52
+        AlOOH + 3 H+ = Al+3 + 2 H2O
+        log_k 8.584
+        delta_h -28.181 kcal
+Pyrophyllite 53
+        Al2Si4O10(OH)2 + 12 H2O = 2 Al(OH)4- + 4 H4SiO4 + 2 H+
+        log_k -48.314
+Phillipsite 54
+        Na0.5K0.5AlSi3O8:H2O + 7 H2O = 0.5 Na+ + 0.5 K+ + Al(OH)4- + 3 H4SiO4
+        log_k -19.874
+Nahcolite 58
+        NaHCO3 = Na+ + HCO3-
+        log_k -0.548
+        delta_h 3.72 kcal
+Trona 59
+        NaHCO3:Na2CO3:2H2O = 2 H2O + 3 Na+ + CO3-2 + HCO3-
+        log_k -0.795
+        delta_h -18 kcal
+Natron 60
+        Na2CO3:10H2O = 2 Na+ + CO3-2 + 10 H2O
+        log_k -1.311
+        delta_h 15.745 kcal
+Thermonatrite 61
+        Na2CO3:H2O = 2 Na+ + CO3-2 + H2O
+        log_k 0.125
+        delta_h -2.802 kcal
+Fluorite 62
+        CaF2 = Ca+2 + 2 F-
+        log_k -10.6
+        delta_h 4.69 kcal
+        -analytical 66.348 0 -4298.2 -25.271 0
+Montmorillonite-Ca 63
+        Ca0.165Al2.33Si3.67O10(OH)2 + 12 H2O = 0.165 Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+
+        log_k -45.027
+        delta_h 58.373 kcal
+Halite 64
+        NaCl = Na+ + Cl-
+        log_k 1.582
+        delta_h 0.918 kcal
+Thenardite 65
+        Na2SO4 = 2 Na+ + SO4-2
+        log_k -0.179
+        delta_h -0.572 kcal
+Mirabilite 66
+        Na2SO4:10H2O = 2 Na+ + SO4-2 + 10 H2O
+        log_k -1.114
+        delta_h 18.987 kcal
+Mackinawite 67
+        FeS + H+ = Fe+2 + HS-
+        log_k -4.648
+Siderite 94
+        FeCO3 = Fe+2 + CO3-2
+        log_k -10.89
+        delta_h -2.48 kcal
+Hydroxyapatite 95
+        Ca5(PO4)3OH + 4 H+ = 5 Ca+2 + 3 HPO4-2 + H2O
+        log_k -3.421
+        delta_h -36.155 kcal
+Fluorapatite 96
+        Ca5(PO4)3F + 3 H+ = 5 Ca+2 + 3 HPO4-2 + F-
+        log_k -17.6
+        delta_h -20.07 kcal
+Chalcedony 97
+        SiO2 + 2 H2O = H4SiO4
+        log_k -3.55
+        delta_h 4.72 kcal
+        -analytical -0.09 0 -1032 0 0
+Magadiite 98
+        NaSi7O13(OH)3:3H2O + H+ + 9 H2O = Na+ + 7 H4SiO4
+        log_k -14.3
+Cristobalite 99
+        SiO2 + 2 H2O = H4SiO4
+        log_k -3.587
+        delta_h 5.5 kcal
+Silicagel 100
+        SiO2 + 2 H2O = H4SiO4
+        log_k -3.018
+        delta_h 4.44 kcal
+Quartz 101
+        SiO2 + 2 H2O = H4SiO4
+        log_k -3.98
+        delta_h 5.99 kcal
+        -analytical 0.41 0 -1309 0 0
+Vivianite 106
+        Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O
+        log_k -36
+Magnetite 107
+        Fe3O4 + 8 H+ = 2 Fe+3 + Fe+2 + 4 H2O
+        log_k 3.737
+        delta_h -50.46 kcal
+Hematite 108
+        Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O
+        log_k -4.008
+        delta_h -30.845 kcal
+Maghemite 109
+        Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O
+        log_k 6.386
+Goethite 110
+        FeOOH + 3 H+ = Fe+3 + 2 H2O
+        log_k -1
+        delta_h -14.48 kcal
+Greenalite 111
+        Fe3Si2O5(OH)4 + 6 H+ = 3 Fe+2 + 2 H4SiO4 + H2O
+        log_k 20.81
+Fe(OH)3(a) 112
+        Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O
+        log_k 4.891
+Annite 113
+        KFe3AlSi3O10(OH)2 + 10 H2O = K+ + 3 Fe+2 + Al(OH)4- + 3 H4SiO4 + 6 OH-
+        log_k -85.645
+        delta_h 62.48 kcal
+Pyrite 114
+        FeS2 + 2 H+ + 2 e- = Fe+2 + 2 HS-
+        log_k -18.479
+        delta_h 11.3 kcal
+Montmorillonite-BelleFourche 115
+        (HNaK)0.09Mg0.29Fe0.24Al1.57Si3.93O10(OH)2 + 10 H2O = 0.09 H+ + 0.09 Na+ + 0.09 K+ + 0.29 Mg+2 + 0.24 Fe+3 + 1.57 Al(OH)4- + 3.93 H4SiO4
+        log_k -34.913
+Montmorillonite-Aberdeen 116
+        (HNaK)0.14Mg0.45Fe0.33Al1.47Si3.82O10(OH)2 + 9.16 H2O + 0.84 H+ = 0.14 H+ + 0.14 Na+ + 0.14 K+ + 0.45 Mg+2 + 0.33 Fe+3 + 1.47 Al(OH)4- + 3.82 H4SiO4
+        log_k -29.688
+Huntite 117
+        CaMg3(CO3)4 = 3 Mg+2 + Ca+2 + 4 CO3-2
+        log_k -29.968
+        delta_h -25.76 kcal
+Greigite 118
+        Fe3S4 + 4 H+ = 2 Fe+3 + Fe+2 + 4 HS-
+        log_k -45.035
+FeS(ppt) 119
+        FeS + H+ = Fe+2 + HS-
+        log_k -3.915
+Chlorite7A 125
+        Mg5Al2Si3O10(OH)8 + 16 H+ = 5 Mg+2 + 2 Al+3 + 3 H4SiO4 + 6 H2O
+        log_k 71.752
+        delta_h -155.261 kcal
+Laumontite 128
+        CaAl2Si4O12:4H2O + 8 H2O = Ca+2 + 2 Al(OH)4- + 4 H4SiO4
+        log_k -30.96
+        delta_h 39.61 kcal
+Jarosite(ss) 133
+        (K0.77Na0.03H0.2)Fe3(SO4)2(OH)6 + 5.8 H+ = 0.77 K+ + 0.03 Na+ + 3 Fe+3 + 2 SO4-2 + 6 H2O
+        log_k -9.83 # WATEQ4F, Alpers and others, 1989
+Mn2(SO4)3 134
+        Mn2(SO4)3 = 2 Mn+3 + 3 SO4-2
+        log_k -5.711
+        delta_h -39.06 kcal
+Al(OH)3(a) 140
+        Al(OH)3 + 3 H+ = Al+3 + 3 H2O
+        log_k 10.8
+        delta_h -26.5 kcal
+Prehnite 141
+        Ca2Al2Si3O10(OH)2 + 8 H2O + 2 H+ = 2 Ca+2 + 2 Al(OH)4- + 3 H4SiO4
+        log_k -11.695
+        delta_h 10.39 kcal
+Strontianite 142
+        SrCO3 = Sr+2 + CO3-2
+        log_k -9.271
+        delta_h -0.4 kcal
+        -analytical 155.0305 0 -7239.594 -56.58638 0
+Celestite 143
+        SrSO4 = Sr+2 + SO4-2
+        log_k -6.63
+        delta_h -1.037 kcal
+        -analytical -14805.9622 -2.4660924 756968.533 5436.3588 -40553604
+Barite 144
+        BaSO4 = Ba+2 + SO4-2
+        log_k -9.97
+        delta_h 6.35 kcal
+        -analytical 136.035 0 -7680.41 -48.595 0
+Witherite 145
+        BaCO3 = Ba+2 + CO3-2
+        log_k -8.562
+        delta_h 0.703 kcal
+        -analytical 607.642 0.121098 -20011.25 -236.4948 0
+Strengite 146
+        FePO4:2H2O = Fe+3 + PO4-3 + 2 H2O
+        log_k -26.4
+        delta_h -2.03 kcal
+Leonhardite 147
+        Ca2Al4Si8O24:7H2O + 17 H2O = 2 Ca+2 + 4 Al(OH)4- + 8 H4SiO4
+        log_k -69.756
+        delta_h 90.07 kcal
+Nesquehonite 149
+        MgCO3:3H2O = Mg+2 + CO3-2 + 3 H2O
+        log_k -5.621
+        delta_h -5.789 kcal
+Artinite 150
+        MgCO3:Mg(OH)2:3H2O + 2 H+ = 2 Mg+2 + CO3-2 + 5 H2O
+        log_k 9.6
+        delta_h -28.742 kcal
+Sepiolite(d) 153
+        Mg2Si3O7.5OH:3H2O + 0.5 H2O + 4 H+ = 2 Mg+2 + 3 H4SiO4
+        log_k 18.66
+Diaspore 154
+        AlOOH + 3 H+ = Al+3 + 2 H2O
+        log_k 6.879
+        delta_h -24.681 kcal
+Wairakite 155
+        CaAl2Si4O12:2H2O + 10 H2O = Ca+2 + 2 Al(OH)4- + 4 H4SiO4
+        log_k -26.708
+        delta_h 26.14 kcal
+Fe(OH)2.7Cl.3 181
+        Fe(OH)2.7Cl0.3 + 2.7 H+ = Fe+3 + 2.7 H2O + 0.3 Cl-
+        log_k -3.04
+MnSO4 182
+        MnSO4 = Mn+2 + SO4-2
+        log_k 2.669
+        delta_h -15.48 kcal
+Pyrolusite 183
+        MnO2 + 4 H+ + 2 e- = Mn+2 + 2 H2O
+        log_k 41.38
+        delta_h -65.11 kcal
+Birnessite 184
+        MnO2 + 4 H+ + 2 e- = Mn+2 + 2 H2O
+        log_k 43.601
+Nsutite 185
+        MnO2 + 4 H+ + 2 e- = Mn+2 + 2 H2O
+        log_k 42.564
+Bixbyite 186
+        Mn2O3 + 6 H+ = 2 Mn+3 + 3 H2O
+        log_k -0.611
+        delta_h -15.245 kcal
+Hausmannite 187
+        Mn3O4 + 8 H+ + 2 e- = 3 Mn+2 + 4 H2O
+        log_k 61.03
+        delta_h -100.64 kcal
+Pyrochroite 188
+        Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O
+        log_k 15.2
+Manganite 189
+        MnOOH + 3 H+ + e- = Mn+2 + 2 H2O
+        log_k 25.34
+Rhodochrosite(d) 190
+        MnCO3 = Mn+2 + CO3-2
+        log_k -10.39
+MnCl2:4H2O 191
+        MnCl2:4H2O = Mn+2 + 2 Cl- + 4 H2O
+        log_k 2.71
+        delta_h 17.38 kcal
+MnS(Green) 192
+        MnS + H+ = Mn+2 + HS-
+        log_k 3.8
+        delta_h -5.79 kcal
+Mn3(PO4)2 193
+        Mn3(PO4)2 = 3 Mn+2 + 2 PO4-3
+        log_k -23.827
+        delta_h 2.12 kcal
+MnHPO4 194
+        MnHPO4 = Mn+2 + HPO4-2
+        log_k -12.947
+Jarosite-Na 204
+        NaFe3(SO4)2(OH)6 + 6 H+ = Na+ + 3 Fe+3 + 2 SO4-2 + 6 H2O
+        log_k -5.28
+        delta_h -36.18 kcal
+Jarosite-K 205
+        KFe3(SO4)2(OH)6 + 6 H+ = K+ + 3 Fe+3 + 2 SO4-2 + 6 H2O
+        log_k -9.21
+        delta_h -31.28 kcal
+CuMetal 223
+        Cu = Cu+ + e-
+        log_k -8.76
+        delta_h 17.13 kcal
+Nantokite 224
+        CuCl = Cu+ + Cl-
+        log_k -6.76
+        delta_h 9.98 kcal
+CuF 225
+        CuF = Cu+ + F-
+        log_k 7.08
+        delta_h -12.37 kcal
+Cuprite 226
+        Cu2O + 2 H+ = 2 Cu+ + H2O
+        log_k -1.55
+        delta_h 6.245 kcal
+Chalcocite 227
+        Cu2S + H+ = 2 Cu+ + HS-
+        log_k -34.619
+        delta_h 49.35 kcal
+Cu2SO4 228
+        Cu2SO4 = 2 Cu+ + SO4-2
+        log_k -1.95
+        delta_h -4.56 kcal
+CuprousFerrite 229
+        CuFeO2 + 4 H+ = Cu+ + Fe+3 + 2 H2O
+        log_k -8.92
+        delta_h -3.8 kcal
+Melanothallite 230
+        CuCl2 = Cu+2 + 2 Cl-
+        log_k 3.73
+        delta_h -12.32 kcal
+CuCO3 231
+        CuCO3 = Cu+2 + CO3-2
+        log_k -9.63
+CuF2 232
+        CuF2 = Cu+2 + 2 F-
+        log_k -0.62
+        delta_h -13.32 kcal
+CuF2:2H2O 233
+        CuF2:2H2O = Cu+2 + 2 F- + 2 H2O
+        log_k -4.55
+        delta_h -3.65 kcal
+Cu(OH)2 234
+        Cu(OH)2 + 2 H+ = Cu+2 + 2 H2O
+        log_k 8.64
+        delta_h -15.25 kcal
+Malachite 235
+        Cu2(OH)2CO3 + 3 H+ = 2 Cu+2 + 2 H2O + HCO3-
+        log_k 5.15
+        delta_h -19.76 kcal
+Azurite 236
+        Cu3(OH)2(CO3)2 + 4 H+ = 3 Cu+2 + 2 H2O + 2 HCO3-
+        log_k 3.75
+        delta_h -30.87 kcal
+Atacamite 237
+        Cu2(OH)3Cl + 3 H+ = 2 Cu+2 + 3 H2O + Cl-
+        log_k 7.34
+        delta_h -18.69 kcal
+Cu2(OH)3NO3 238
+        Cu2(OH)3NO3 + 3 H+ = 2 Cu+2 + 3 H2O + NO3-
+        log_k 9.24
+        delta_h -17.35 kcal
+Antlerite 239
+        Cu3(OH)4SO4 + 4 H+ = 3 Cu+2 + 4 H2O + SO4-2
+        log_k 8.29
+Brochantite 240
+        Cu4(OH)6SO4 + 6 H+ = 4 Cu+2 + 6 H2O + SO4-2
+        log_k 15.34
+Langite 241
+        Cu4(OH)6SO4:H2O + 6 H+ = 4 Cu+2 + 7 H2O + SO4-2
+        log_k 16.79
+        delta_h -39.61 kcal
+Tenorite 242
+        CuO + 2 H+ = Cu+2 + H2O
+        log_k 7.62
+        delta_h -15.24 kcal
+CuOCuSO4 243
+        CuO:CuSO4 + 2 H+ = 2 Cu+2 + H2O + SO4-2
+        log_k 11.53
+        delta_h -35.575 kcal
+Cu3(PO4)2 244
+        Cu3(PO4)2 = 3 Cu+2 + 2 PO4-3
+        log_k -36.85
+Cu3(PO4)2:3H2O 245
+        Cu3(PO4)2:3H2O = 3 Cu+2 + 2 PO4-3 + 3 H2O
+        log_k -35.12
+Covellite 246
+        CuS + H+ = Cu+2 + HS-
+        log_k -22.27
+        delta_h 24.01 kcal
+CuSO4 247
+        CuSO4 = Cu+2 + SO4-2
+        log_k 3.01
+        delta_h -18.14 kcal
+Chalcanthite 248
+        CuSO4:5H2O = Cu+2 + SO4-2 + 5 H2O
+        log_k -2.64
+        delta_h 1.44 kcal
+CupricFerrite 249
+        CuFe2O4 + 8 H+ = Cu+2 + 2 Fe+3 + 4 H2O
+        log_k 5.88
+        delta_h -38.69 kcal
+Chalcopyrite 250
+        CuFeS2 + 2 H+ = Cu+2 + Fe+2 + 2 HS-
+        log_k -35.27
+        delta_h 35.48 kcal
+ZnMetal 265
+        Zn = Zn+2 + 2 e-
+        log_k 25.757
+        delta_h -36.78 kcal
+Zn(BO2)2 266
+        Zn(BO2)2 + 2 H2O + 2 H+ = Zn+2 + 2 H3BO3
+        log_k 8.29
+ZnCl2 267
+        ZnCl2 = Zn+2 + 2 Cl-
+        log_k 7.03
+        delta_h -17.48 kcal
+Smithsonite 268
+        ZnCO3 = Zn+2 + CO3-2
+        log_k -10
+        delta_h -4.36 kcal
+ZnCO3:H2O 269
+        ZnCO3:H2O = Zn+2 + CO3-2 + H2O
+        log_k -10.26
+ZnF2 270
+        ZnF2 = Zn+2 + 2 F-
+        log_k -1.52
+        delta_h -13.08 kcal
+Zn(OH)2-a 271
+        Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+        log_k 12.45
+Zn(OH)2-c 272
+        Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+        log_k 12.2
+Zn(OH)2-b 273
+        Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+        log_k 11.75
+Zn(OH)2-g 274
+        Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+        log_k 11.71
+Zn(OH)2-e 275
+        Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+        log_k 11.5
+Zn2(OH)3Cl 276
+        Zn2(OH)3Cl + 3 H+ = 2 Zn+2 + 3 H2O + Cl-
+        log_k 15.2
+Zn5(OH)8Cl2 277
+        Zn5(OH)8Cl2 + 8 H+ = 5 Zn+2 + 8 H2O + 2 Cl-
+        log_k 38.5
+Zn2(OH)2SO4 278
+        Zn2(OH)2SO4 + 2 H+ = 2 Zn+2 + 2 H2O + SO4-2
+        log_k 7.5
+Zn4(OH)6SO4 279
+        Zn4(OH)6SO4 + 6 H+ = 4 Zn+2 + 6 H2O + SO4-2
+        log_k 28.4
+Zn(NO3)2:6H2O 280
+        Zn(NO3)2:6H2O = Zn+2 + 2 NO3- + 6 H2O
+        log_k 3.44
+        delta_h 5.51 kcal
+ZnO(a) 281
+        ZnO + 2 H+ = Zn+2 + H2O
+        log_k 11.31
+Zincite(c) 282
+        ZnO + 2 H+ = Zn+2 + H2O
+        log_k 11.14
+        delta_h -21.86 kcal
+Zn3O(SO4)2 283
+        ZnO:2ZnSO4 + 2 H+ = 3 Zn+2 + 2 SO4-2 + H2O
+        log_k 19.02
+        delta_h -62 kcal
+Zn3(PO4)2:4w 284
+        Zn3(PO4)2:4H2O = 3 Zn+2 + 2 PO4-3 + 4 H2O
+        log_k -32.04
+ZnS(a) 285
+        ZnS + H+ = Zn+2 + HS-
+        log_k -9.052
+        delta_h 3.67 kcal
+Sphalerite 286
+        ZnS + H+ = Zn+2 + HS-
+        log_k -11.618
+        delta_h 8.25 kcal
+Wurtzite 287
+        ZnS + H+ = Zn+2 + HS-
+        log_k -9.682
+        delta_h 5.06 kcal
+ZnSiO3 288
+        ZnSiO3 + 2 H+ + H2O = Zn+2 + H4SiO4
+        log_k 2.93
+        delta_h -18.27 kcal
+Willemite 289
+        Zn2SiO4 + 4 H+ = 2 Zn+2 + H4SiO4
+        log_k 15.33
+        delta_h -33.37 kcal
+Zincosite 290
+        ZnSO4 = Zn+2 + SO4-2
+        log_k 3.01
+        delta_h -19.2 kcal
+ZnSO4:H2O 291
+        ZnSO4:H2O = Zn+2 + SO4-2 + H2O
+        log_k -0.57
+        delta_h -10.64 kcal
+Bianchite 292
+        ZnSO4:6H2O = Zn+2 + SO4-2 + 6 H2O
+        log_k -1.765
+        delta_h -0.16 kcal
+Goslarite 293
+        ZnSO4:7H2O = Zn+2 + SO4-2 + 7 H2O
+        log_k -1.96
+        delta_h 3.3 kcal
+CdMetal 312
+        Cd = Cd+2 + 2 e-
+        log_k 13.49
+        delta_h -18 kcal
+Cd(gamma) 313
+        Cd = Cd+2 + 2 e-
+        log_k 13.59
+        delta_h -18.14 kcal
+Cd(BO2)2 314
+        Cd(BO2)2 + 2 H2O + 2 H+ = Cd+2 + 2 H3BO3
+        log_k 9.84
+Otavite 315
+        CdCO3 = Cd+2 + CO3-2
+        log_k -12.1
+        delta_h -0.019 kcal
+CdCl2 316
+        CdCl2 = Cd+2 + 2 Cl-
+        log_k -0.68
+        delta_h -4.47 kcal
+CdCl2:H2O 317
+        CdCl2:H2O = Cd+2 + 2 Cl- + H2O
+        log_k -1.71
+        delta_h -1.82 kcal
+CdCl2:2.5H2O 318
+        CdCl2:2.5H2O = Cd+2 + 2 Cl- + 2.5 H2O
+        log_k -1.94
+        delta_h 1.71 kcal
+CdF2 319
+        CdF2 = Cd+2 + 2 F-
+        log_k -2.98
+        delta_h -9.72 kcal
+Cd(OH)2(a) 320
+        Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O
+        log_k 13.73
+        delta_h -20.77 kcal
+Cd(OH)2 321
+        Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O
+        log_k 13.65
+CdOHCl 322
+        CdOHCl + H+ = Cd+2 + H2O + Cl-
+        log_k 3.52
+        delta_h -7.407 kcal
+Cd3(OH)4SO4 323
+        Cd3(OH)4SO4 + 4 H+ = 3 Cd+2 + 4 H2O + SO4-2
+        log_k 22.56
+Cd3(OH)2(SO4)2 324
+        Cd3(OH)2(SO4)2 + 2 H+ = 3 Cd+2 + 2 H2O + 2 SO4-2
+        log_k 6.71
+Cd4(OH)6SO4 325
+        Cd4(OH)6SO4 + 6 H+ = 4 Cd+2 + 6 H2O + SO4-2
+        log_k 28.4
+Monteponite 326
+        CdO + 2 H+ = Cd+2 + H2O
+        log_k 13.77
+        delta_h -24.76 kcal
+Cd3(PO4)2 327
+        Cd3(PO4)2 = 3 Cd+2 + 2 PO4-3
+        log_k -32.6
+CdSiO3 328
+        CdSiO3 + H2O + 2 H+ = Cd+2 + H4SiO4
+        log_k 9.06
+        delta_h -16.63 kcal
+CdSO4 329
+        CdSO4 = Cd+2 + SO4-2
+        log_k -0.1
+        delta_h -14.74 kcal
+CdSO4:H2O 330
+        CdSO4:H2O = Cd+2 + SO4-2 + H2O
+        log_k -1.657
+        delta_h -7.52 kcal
+CdSO4:2.7H2O 331
+        CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67 H2O
+        log_k -1.873
+        delta_h -4.3 kcal
+Greenockite 332
+        CdS + H+ = Cd+2 + HS-
+        log_k -15.93
+        delta_h 16.36 kcal
+JarositeH 337
+        (H3O)Fe3(SO4)2(OH)6 + 5 H+ = 3 Fe+3 + 2 SO4-2 + 7 H2O
+        log_k -5.39
+        delta_h -55.15 kcal
+AlumK 338
+        KAl(SO4)2:12H2O = K+ + Al+3 + 2 SO4-2 + 12 H2O
+        log_k -5.17
+        delta_h 7.22 kcal
+Melanterite 339
+        FeSO4:7H2O = Fe+2 + SO4-2 + 7 H2O
+        log_k -2.209
+        delta_h 4.91 kcal
+        -analytical 1.447 -0.004153 0 0 -214949
+Epsomite 340
+        MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O
+        log_k -2.14
+        delta_h 2.82 kcal
+PbMetal 360
+        Pb = Pb+2 + 2 e-
+        log_k 4.27
+        delta_h 0.4 kcal
+Pb(BO2)2 361
+        Pb(BO2)2 + 2 H2O + 2 H+ = Pb+2 + 2 H3BO3
+        log_k 7.61
+        delta_h -5.8 kcal
+Cotunnite 362
+        PbCl2 = Pb+2 + 2 Cl-
+        log_k -4.77
+        delta_h 5.6 kcal
+Matlockite 363
+        PbClF = Pb+2 + Cl- + F-
+        log_k -9.43
+        delta_h 7.95 kcal
+Phosgenite 364
+        PbCl2:PbCO3 = 2 Pb+2 + 2 Cl- + CO3-2
+        log_k -19.81
+Cerussite 365
+        PbCO3 = Pb+2 + CO3-2
+        log_k -13.13
+        delta_h 4.86 kcal
+PbF2 366
+        PbF2 = Pb+2 + 2 F-
+        log_k -7.44
+        delta_h -0.7 kcal
+Massicot 367
+        PbO + 2 H+ = Pb+2 + H2O
+        log_k 12.91
+        delta_h -16.78 kcal
+Litharge 368
+        PbO + 2 H+ = Pb+2 + H2O
+        log_k 12.72
+        delta_h -16.38 kcal
+PbO:0.3H2O 369
+        PbO:0.33H2O + 2 H+ = Pb+2 + 1.33 H2O
+        log_k 12.98
+Pb2OCO3 370
+        PbO:PbCO3 + 2 H+ = 2 Pb+2 + CO3-2 + H2O
+        log_k -0.5
+        delta_h -11.46 kcal
+Larnakite 371
+        PbO:PbSO4 + 2 H+ = 2 Pb+2 + SO4-2 + H2O
+        log_k -0.28
+        delta_h -6.44 kcal
+Pb3O2SO4 372
+        PbSO4:2PbO + 4 H+ = 3 Pb+2 + SO4-2 + 2 H2O
+        log_k 10.4
+        delta_h -20.75 kcal
+Pb4O3SO4 373
+        PbSO4:3PbO + 6 H+ = 4 Pb+2 + SO4-2 + 3 H2O
+        log_k 22.1
+        delta_h -35.07 kcal
+PbHPO4 374
+        PbHPO4 = Pb+2 + HPO4-2
+        log_k -11.46
+        delta_h 7.04 kcal
+Pb3(PO4)2 375
+        Pb3(PO4)2 + 2 H+ = 3 Pb+2 + 2 HPO4-2
+        log_k -19.67
+        delta_h -1.67 kcal
+Clpyromorphite 376
+        Pb5(PO4)3Cl = 5 Pb+2 + 3 PO4-3 + Cl-
+        log_k -84.43
+Hxypyromorphite 377
+        Pb5(PO4)3OH + H+ = 5 Pb+2 + 3 PO4-3 + H2O
+        log_k -62.79
+Pb3O2CO3 378
+        PbCO3:2PbO + 4 H+ = 3 Pb+2 + CO3-2 + 2 H2O
+        log_k 11.02
+        delta_h -26.43 kcal
+Plumbogummite 379
+        PbAl3(PO4)2(OH)5:H2O + 5 H+ = Pb+2 + 3 Al+3 + 2 PO4-3 + 6 H2O
+        log_k -32.79
+Hinsdalite 380
+        PbAl3PO4SO4(OH)6 + 6 H+ = Pb+2 + 3 Al+3 + PO4-3 + SO4-2 + 6 H2O
+        log_k -2.5
+Tsumebite 381
+        Pb2CuPO4(OH)3:3H2O + 3 H+ = 2 Pb+2 + Cu+2 + PO4-3 + 6 H2O
+        log_k -9.79
+PbSiO3 382
+        PbSiO3 + H2O + 2 H+ = Pb+2 + H4SiO4
+        log_k 7.32
+        delta_h -9.26 kcal
+Pb2SiO4 383
+        Pb2SiO4 + 4 H+ = 2 Pb+2 + H4SiO4
+        log_k 19.76
+        delta_h -26 kcal
+Anglesite 384
+        PbSO4 = Pb+2 + SO4-2
+        log_k -7.79
+        delta_h 2.15 kcal
+Galena 385
+        PbS + H+ = Pb+2 + HS-
+        log_k -12.78
+        delta_h 19.4 kcal
+Plattnerite 386
+        PbO2 + 4 H+ + 2 e- = Pb+2 + 2 H2O
+        log_k 49.3
+        delta_h -70.73 kcal
+Pb2O3 387
+        Pb2O3 + 6 H+ + 2 e- = 2 Pb+2 + 3 H2O
+        log_k 61.04
+Minium 388
+        Pb3O4 + 8 H+ + 2 e- = 3 Pb+2 + 4 H2O
+        log_k 73.69
+        delta_h -102.76 kcal
+Pb(OH)2 389
+        Pb(OH)2 + 2 H+ = Pb+2 + 2 H2O
+        log_k 8.15
+        delta_h -13.99 kcal
+Laurionite 390
+        PbOHCl + H+ = Pb+2 + Cl- + H2O
+        log_k 0.623
+Pb2(OH)3Cl 391
+        Pb2(OH)3Cl + 3 H+ = 2 Pb+2 + 3 H2O + Cl-
+        log_k 8.793
+Hydrocerussite 392
+        Pb(OH)2:2PbCO3 + 2 H+ = 3 Pb+2 + 2 CO3-2 + 2 H2O
+        log_k -17.46
+Pb2O(OH)2 393
+        PbO:Pb(OH)2 + 4 H+ = 2 Pb+2 + 3 H2O
+        log_k 26.2
+Pb4(OH)6SO4 394
+        Pb4(OH)6SO4 + 6 H+ = 4 Pb+2 + SO4-2 + 6 H2O
+        log_k 21.1
+SiO2(a) 395
+        SiO2 + 2 H2O = H4SiO4
+        log_k -2.71
+        delta_h 3.34 kcal
+        -analytical -0.26 0 -731 0 0
+FCO3Apatite 396
+        Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316 Ca+2 + 0.36 Na+ + 0.144 Mg+2 + 4.8 PO4-3 + 1.2 CO3-2 + 2.48 F-
+        log_k -114.4
+        delta_h 39.39 kcal
+BaF2 398
+        BaF2 = Ba+2 + 2 F-
+        log_k -5.76
+        delta_h 1 kcal
+SrF2 399
+        SrF2 = Sr+2 + 2 F-
+        log_k -8.54
+        delta_h 1.25 kcal
+Dolomite 401
+        CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2
+        log_k -17.09
+        delta_h -9.436 kcal
+Sulfur 402
+        S + 2 e- = S-2
+        log_k -15.026
+        delta_h 7.9 kcal
+NiCO3 410
+        NiCO3 = Ni+2 + CO3-2
+        log_k -6.84
+        delta_h -9.94 kcal
+Ni(OH)2 411
+        Ni(OH)2 + 2 H+ = Ni+2 + 2 H2O
+        log_k 10.8
+        delta_h 30.45 kcal
+Ni4(OH)6SO4 412
+        Ni4(OH)6SO4 + 6 H+ = 4 Ni+2 + SO4-2 + 6 H2O
+        log_k 32
+Bunsenite 413
+        NiO + 2 H+ = Ni+2 + H2O
+        log_k 12.45
+        delta_h -23.92 kcal
+Ni3(PO4)2 414
+        Ni3(PO4)2 = 3 Ni+2 + 2 PO4-3
+        log_k -31.3
+Millerite 415
+        NiS + H+ = Ni+2 + HS-
+        log_k -8.042
+        delta_h 2.5 kcal
+Retgersite 416
+        NiSO4:6H2O = Ni+2 + SO4-2 + 6 H2O
+        log_k -2.04
+        delta_h 1.1 kcal
+Morenosite 417
+        NiSO4:7H2O = Ni+2 + SO4-2 + 7 H2O
+        log_k -2.36
+        delta_h 2.94 kcal
+Ni2SiO4 418
+        Ni2SiO4 + 4 H+ = 2 Ni+2 + H4SiO4
+        log_k 14.54
+        delta_h -33.36 kcal
+Fe3(OH)8 419
+        Fe3(OH)8 + 8 H+ = 2 Fe+3 + Fe+2 + 8 H2O
+        log_k 20.222
+Dioptase 420
+        CuSiO3:H2O + 2 H+ = Cu+2 + H4SiO4
+        log_k 6.5
+        delta_h -8.96 kcal
+AgMetal 437
+        Ag = Ag+ + e-
+        log_k -13.51
+        delta_h 25.234 kcal
+Bromyrite 438
+        AgBr = Ag+ + Br-
+        log_k -12.27
+        delta_h 20.17 kcal
+Cerargyrite 439
+        AgCl = Ag+ + Cl-
+        log_k -9.75
+        delta_h 15.652 kcal
+Ag2CO3 440
+        Ag2CO3 = 2 Ag+ + CO3-2
+        log_k -11.07
+        delta_h 9.53 kcal
+AgF:4H2O 441
+        AgF:4H2O = Ag+ + F- + 4 H2O
+        log_k 0.55
+        delta_h 4.27 kcal
+Iodyrite 442
+        AgI = Ag+ + I-
+        log_k -16.07
+        delta_h 26.82 kcal
+Ag2O 443
+        Ag2O + 2 H+ = 2 Ag+ + H2O
+        log_k 12.58
+        delta_h -10.43 kcal
+Ag3PO4 444
+        Ag3PO4 = 3 Ag+ + PO4-3
+        log_k -17.55
+Acanthite 445
+        Ag2S + H+ = 2 Ag+ + HS-
+        log_k -36.05
+        delta_h 53.3 kcal
+Ag2SO4 446
+        Ag2SO4 = 2 Ag+ + SO4-2
+        log_k -4.92
+        delta_h 4.25 kcal
+CuBr 459
+        CuBr = Cu+ + Br-
+        log_k -8.21
+        delta_h 13.08 kcal
+CuI 460
+        CuI = Cu+ + I-
+        log_k -11.89
+        delta_h 20.14 kcal
+ZnBr2:2H2O 461
+        ZnBr2:2H2O = Zn+2 + 2 Br- + 2 H2O
+        log_k 5.21
+        delta_h -7.51 kcal
+ZnI2 462
+        ZnI2 = Zn+2 + 2 I-
+        log_k 7.23
+        delta_h -13.44 kcal
+CdBr2:4H2O 463
+        CdBr2:4H2O = Cd+2 + 2 Br- + 4 H2O
+        log_k -2.42
+        delta_h 7.23 kcal
+CdI2 464
+        CdI2 = Cd+2 + 2 I-
+        log_k -3.61
+        delta_h 4.08 kcal
+PbBr2 465
+        PbBr2 = Pb+2 + 2 Br-
+        log_k -5.18
+        delta_h 8.1 kcal
+PbBrF 466
+        PbBrF = Pb+2 + Br- + F-
+        log_k -8.49
+PbI2 467
+        PbI2 = Pb+2 + 2 I-
+        log_k -8.07
+        delta_h 15.16 kcal
+Jurbanite 471
+        AlOHSO4 + H+ = Al+3 + SO4-2 + H2O
+        log_k -3.23
+Basaluminite 472
+        Al4(OH)10SO4 + 10 H+ = 4 Al+3 + SO4-2 + 10 H2O
+        log_k 22.7
+As_native 557
+        As + 3 H2O = H3AsO3 + 3 H+ + 3 e-
+	log_k -12.532
+	delta_h 115.131 kJ
+As2O5(cr) 488
+        As2O5 + 3 H2O = 2 H3AsO4
+        log_k 8.228
+        delta_h -31.619 kJ
+AlAsO4:2H2O 489
+        AlAsO4:2H2O = Al+3 + AsO4-3 + 2 H2O
+        log_k -15.837
+Ca3(AsO4)2:4w 490
+        Ca3(AsO4)2:4H2O = 3 Ca+2 + 2 AsO4-3 + 4 H2O
+        log_k -18.905
+Cu3(AsO4)2:6w 491
+        Cu3(AsO4)2:6H2O = 3 Cu+2 + 2 AsO4-3 + 6 H2O
+        log_k -35.123
+Scorodite 492
+        FeAsO4:2H2O = Fe+3 + AsO4-3 + 2 H2O
+        log_k -20.249
+Mn3(AsO4)2:8H2O 493
+        Mn3(AsO4)2:8H2O = 3 Mn+2 + 2 AsO4-3 + 8 H2O
+        log_k -28.707
+Ni3(AsO4)2:8H2O 494
+        Ni3(AsO4)2:8H2O = 3 Ni+2 + 2 AsO4-3 + 8 H2O
+        log_k -25.511
+Pb3(AsO4)2 495
+        Pb3(AsO4)2 = 3 Pb+2 + 2 AsO4-3
+        log_k -35.403
+Zn3(AsO4)2:2.5w 496
+        Zn3(AsO4)2:2.5H2O = 3 Zn+2 + 2 AsO4-3 + 2.5 H2O
+        log_k -27.546
+Arsenolite 497
+#        As4O6 + 6H2O = 4H3AsO3
+#        log_k           -2.801
+#        delta_h 14.330 kcal
+	As2O3 + 3 H2O = 2 H3AsO3
+	log_k -1.38
+	delta_h 30.041 kJ
+Claudetite 498
+#        As4O6 + 6H2O = 4H3AsO3
+#        log_k           -3.065
+#        delta_h 13.290 kcal
+	As2O3 + 3 H2O = 2 H3AsO3
+	log_k -1.34
+	delta_h 28.443 kJ
+AsI3 499
+        AsI3 + 3 H2O = H3AsO3 + 3 I- + 3 H+
+        log_k 4.155
+        delta_h 1.875 kcal
+Orpiment 500
+        As2S3 + 6 H2O = 2 H3AsO3 + 3 HS- + 3 H+
+#        log_k           -60.971
+#        delta_h 82.890 kcal
+	log_k -46.3
+	delta_h 263.1 kJ
+As2S3(am) 132
+        As2S3 + 6 H2O = 2 H3AsO3 + 3 HS- + 3 H+
+	log_k -44.9
+	delta_h 244.2 kJ
+Realgar 501
+        AsS + 3 H2O = H3AsO3 + HS- + 2 H+ + e-
+#        log_k           -19.747
+#        delta_h 30.545 kcal
+	log_k -19.944
+	delta_h 129.2625 kJ
+BlaubleiI 533
+        Cu0.9Cu0.2S + H+ = 0.9 Cu+2 + 0.2 Cu+ + HS-
+        log_k -24.162
+BlaubleiII 534
+        Cu0.6Cu0.8S + H+ = 0.6 Cu+2 + 0.8 Cu+ + HS-
+        log_k -27.279
+Anilite 535
+        Cu0.25Cu1.5S + H+ = 0.25 Cu+2 + 1.5 Cu+ + HS-
+        log_k -31.878
+        delta_h 43.535 kcal
+Djurleite 536
+        Cu0.066Cu1.868S + H+ = 0.066 Cu+2 + 1.868 Cu+ + HS-
+        log_k -33.92
+        delta_h 47.881 kcal
+Portlandite 539
+        Ca(OH)2 + 2 H+ = Ca+2 + 2 H2O
+        log_k 22.8
+        delta_h -31 kcal
+Ba3(AsO4)2 541
+        Ba3(AsO4)2 = 3 Ba+2 + 2 AsO4-3
+        log_k -50.11
+        delta_h 9.5 kcal
+Se(s) 550
+        Se + H+ + 2 e- = HSe-
+        log_k -17.322
+#SemetalSe4          551
+#       Se + 3H2O = SeO3-2 + 6H+ + 4e-
+#       log_k           -59.836
+FeSe2 552
+        FeSe2 + 2 H+ + 2 e- = Fe+2 + 2 HSe-
+        log_k -18.58
+SeO2 553
+        SeO2 + H2O = SeO3-2 + 2 H+
+        log_k -8.38
+CaSeO3 554
+        CaSeO3 = Ca+2 + SeO3-2
+        log_k -5.6
+BaSeO3 555
+        BaSeO3 = Ba+2 + SeO3-2
+        log_k -6.39
+Fe2(SeO3)3 556
+        Fe2(SeO3)3 = 2 Fe+3 + 3 SeO3-2
+        log_k -35.43
+Rhodochrosite 564
+        MnCO3 = Mn+2 + CO3-2
+        log_k -11.13
+        delta_h -1.43 kcal
+Na4UO2(CO3)3 571
+        Na4UO2(CO3)3 = 4 Na+ + UO2+2 + 3 CO3-2
+        log_k -16.29
+Uraninite(c) 573
+        UO2 + 4 H+ = U+4 + 2 H2O
+        log_k -4.8
+        delta_h -18.61 kcal
+UO2(a) 574
+        UO2 + 4 H+ = U+4 + 2 H2O
+        log_k 0.1
+U4O9(c) 575
+        U4O9 + 18 H+ + 2 e- = 4 U+4 + 9 H2O
+        log_k -3.384
+        delta_h -101.235 kcal
+U3O8(c) 576
+        U3O8 + 16 H+ + 4 e- = 3 U+4 + 8 H2O
+        log_k 20.53
+        delta_h -116 kcal
+Coffinite 577
+        USiO4 + 4 H+ = U+4 + H4SiO4
+        log_k -7.67
+        delta_h -11.6 kcal
+UF4(c) 584
+        UF4 = U+4 + 4 F-
+        log_k -18.606
+        delta_h -18.9 kcal
+UF4:2.5H2O 585
+        UF4:2.5H2O = U+4 + 4 F- + 2.5 H2O
+        log_k -27.57
+        delta_h -0.588 kcal
+U(OH)2SO4 591
+        U(OH)2SO4 + 2 H+ = U+4 + SO4-2 + 2 H2O
+        log_k -3.2
+UO2HPO4:4H2O 592
+        UO2HPO4:4H2O = UO2+2 + HPO4-2 + 4 H2O
+        log_k -11.85
+U(HPO4)2:4H2O 593
+        U(HPO4)2:4H2O = U+4 + 2 PO4-3 + 2 H+ + 4 H2O
+        log_k -55.3
+        delta_h 3.84 kcal
+Ningyoite 594
+        CaU(PO4)2:2H2O = U+4 + Ca+2 + 2 PO4-3 + 2 H2O
+        log_k -53.906
+        delta_h -2.27 kcal
+UO3(gamma) 599
+        UO3 + 2 H+ = UO2+2 + H2O
+        log_k 7.719
+        delta_h -19.315 kcal
+Gummite 600
+        UO3 + 2 H+ = UO2+2 + H2O
+        log_k 10.403
+        delta_h -23.015 kcal
+B-UO2(OH)2 601
+        UO2(OH)2 + 2 H+ = UO2+2 + 2 H2O
+        log_k 5.544
+        delta_h -13.73 kcal
+Schoepite 602
+        UO2(OH)2:H2O + 2 H+ = UO2+2 + 3 H2O
+        log_k 5.404
+        delta_h -12.045 kcal
+Rutherfordine 606
+        UO2CO3 = UO2+2 + CO3-2
+        log_k -14.45
+        delta_h -1.44 kcal
+(UO2)3(PO4)2:4w 619
+        (UO2)3(PO4)2:4H2O = 3 UO2+2 + 2 PO4-3 + 4 H2O
+        log_k -37.4
+        delta_h 41.5 kcal
+H-Autunite 620
+        H2(UO2)2(PO4)2 = 2 H+ + 2 UO2+2 + 2 PO4-3
+        log_k -47.931
+        delta_h -3.6 kcal
+Na-Autunite 621
+        Na2(UO2)2(PO4)2 = 2 Na+ + 2 UO2+2 + 2 PO4-3
+        log_k -47.409
+        delta_h -0.46 kcal
+K-Autunite 622
+        K2(UO2)2(PO4)2 = 2 K+ + 2 UO2+2 + 2 PO4-3
+        log_k -48.244
+        delta_h 5.86 kcal
+Uramphite 623
+        (NH4)2(UO2)2(PO4)2 = 2 NH4+ + 2 UO2+2 + 2 PO4-3
+        log_k -51.749
+        delta_h 9.7 kcal
+Saleeite 624
+        Mg(UO2)2(PO4)2 = Mg+2 + 2 UO2+2 + 2 PO4-3
+        log_k -43.646
+        delta_h -20.18 kcal
+Autunite 625
+        Ca(UO2)2(PO4)2 = Ca+2 + 2 UO2+2 + 2 PO4-3
+        log_k -43.927
+        delta_h -14.34 kcal
+Sr-Autunite 626
+        Sr(UO2)2(PO4)2 = Sr+2 + 2 UO2+2 + 2 PO4-3
+        log_k -44.457
+        delta_h -13.05 kcal
+Uranocircite 627
+        Ba(UO2)2(PO4)2 = Ba+2 + 2 UO2+2 + 2 PO4-3
+        log_k -44.631
+        delta_h -10.1 kcal
+Bassetite 628
+        Fe(UO2)2(PO4)2 = Fe+2 + 2 UO2+2 + 2 PO4-3
+        log_k -44.485
+        delta_h -19.9 kcal
+Torbernite 629
+        Cu(UO2)2(PO4)2 = Cu+2 + 2 UO2+2 + 2 PO4-3
+        log_k -45.279
+        delta_h -15.9 kcal
+Przhevalskite 630
+        Pb(UO2)2(PO4)2 = Pb+2 + 2 UO2+2 + 2 PO4-3
+        log_k -44.365
+        delta_h -11 kcal
+Uranophane 632
+        Ca(UO2)2(SiO3OH)2 + 6 H+ = Ca+2 + 2 UO2+2 + 2 H4SiO4
+        log_k 17.489
+CO2(g)
+        CO2 = CO2
+        log_k -1.468
+        delta_h -4.776 kcal
+        -analytical 108.3865 0.01985076 -6919.53 -40.45154 669365
+O2(g)
+        O2 = O2
+#        log_k           -2.960
+#        delta_h -1.844 kcal
+	 # log K from llnl.dat  Aug 23, 2005
+        log_k -2.8983
+        -analytic -7.5001e+0 7.8981e-3 0e+0 0e+0 2.0027e+5
+H2(g)
+        H2 = H2
+        log_k -3.15
+        delta_h -1.759 kcal
+N2(g)
+        N2 = N2
+        log_k -3.26
+        delta_h -1.358 kcal
+H2S(g)
+        H2S = H2S
+        log_k -0.997
+        delta_h -4.57 kcal
+CH4(g)
+        CH4 = CH4
+        log_k -2.86
+        delta_h -3.373 kcal
+NH3(g)
+        NH3 = NH3
+        log_k 1.77
+        delta_h -8.17 kcal
+EXCHANGE_MASTER_SPECIES
+        X X-
+EXCHANGE_SPECIES
+        X- = X-
+        log_k 0
+        Na+ + X- = NaX
+        log_k 0
+        K+ + X- = KX
+        log_k 0.7
+        Li+ + X- = LiX
+        log_k -0.08
+        H+ + X- = HX
+        log_k 1
+        NH4+ + X- = NH4X
+        log_k 0.6
+        Ca+2 + 2 X- = CaX2
+        log_k 0.8
+        Mg+2 + 2 X- = MgX2
+        log_k 0.6
+        Sr+2 + 2 X- = SrX2
+        log_k 0.91
+        Ba+2 + 2 X- = BaX2
+        log_k 0.91
+        Mn+2 + 2 X- = MnX2
+        log_k 0.52
+        Fe+2 + 2 X- = FeX2
+        log_k 0.44
+        Cu+2 + 2 X- = CuX2
+        log_k 0.6
+        Zn+2 + 2 X- = ZnX2
+        log_k 0.8
+        Cd+2 + 2 X- = CdX2
+        log_k 0.8
+        Pb+2 + 2 X- = PbX2
+        log_k 1.05
+        Al+3 + 3 X- = AlX3
+        log_k 0.67
+SURFACE_MASTER_SPECIES
+        Hfo_s Hfo_sOH
+        Hfo_w Hfo_wOH
+SURFACE_SPECIES
+#   All surface data from
+#   Dzombak and Morel, 1990
+#
+#
+#   Acid-base data from table 5.7
+#
+#   strong binding site--Hfo_s,
+        Hfo_sOH = Hfo_sOH
+        log_k 0
+        Hfo_sOH + H+ = Hfo_sOH2+
+        log_k 7.29 # = pKa1,int
+        Hfo_sOH = Hfo_sO- + H+
+        log_k -8.93 # = -pKa2,int
+#   weak binding site--Hfo_w
+        Hfo_wOH = Hfo_wOH
+        log_k 0
+        Hfo_wOH + H+ = Hfo_wOH2+
+        log_k 7.29 # = pKa1,int
+        Hfo_wOH = Hfo_wO- + H+
+        log_k -8.93 # = -pKa2,int
+###############################################
+#             CATIONS                         #
+###############################################
+#
+#   Cations from table 10.1 or 10.5
+#
+#   Calcium
+        Hfo_sOH + Ca+2 = Hfo_sOHCa+2
+        log_k 4.97
+        Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+
+        log_k -5.85
+#   Strontium
+        Hfo_sOH + Sr+2 = Hfo_sOHSr+2
+        log_k 5.01
+        Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+
+        log_k -6.58
+        Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2 H+
+        log_k -17.6
+#   Barium
+        Hfo_sOH + Ba+2 = Hfo_sOHBa+2
+        log_k 5.46
+        Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+
+        log_k -7.2 # table 10.5
+#
+#   Cations from table 10.2
+#
+#   Silver
+        Hfo_sOH + Ag+ = Hfo_sOAg + H+
+        log_k -1.72
+        Hfo_wOH + Ag+ = Hfo_wOAg + H+
+        log_k -5.3 # table 10.5
+#   Nickel
+        Hfo_sOH + Ni+2 = Hfo_sONi+ + H+
+        log_k 0.37
+        Hfo_wOH + Ni+2 = Hfo_wONi+ + H+
+        log_k -2.5 # table 10.5
+#   Cadmium
+        Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+
+        log_k 0.47
+        Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+
+        log_k -2.91
+#   Zinc
+        Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+
+        log_k 0.99
+        Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+
+        log_k -1.99
+#   Copper
+        Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+
+        log_k 2.89
+        Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+
+        log_k 0.6 # table 10.5
+#   Lead
+        Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+
+        log_k 4.65
+        Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+
+        log_k 0.3 # table 10.5
+#
+#   Derived constants table 10.5
+#
+#   Magnesium
+        Hfo_wOH + Mg+2 = Hfo_wOMg+ + H+
+        log_k -4.6
+#   Manganese
+        Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+
+        log_k -0.4 # table 10.5
+        Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+
+        log_k -3.5 # table 10.5
+#   Uranyl
+        Hfo_sOH + UO2+2 = Hfo_sOUO2+ + H+
+        log_k 5.2 # table 10.5
+        Hfo_wOH + UO2+2 = Hfo_wOUO2+ + H+
+        log_k 2.8 # table 10.5
+# Iron
+#        Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+
+#        log_k   0.7     # LFER using table 10.5
+#        Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+
+#        log_k -2.5      # LFER using table 10.5
+# Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, subm.
+         Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+
+         log_k -0.95
+# Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M
+         Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+
+         log_k -2.98
+         Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2 H+
+         log_k -11.55
+###############################################
+#             ANIONS                          #
+###############################################
+#
+#   Anions from table 10.6
+#
+#   Phosphate
+        Hfo_wOH + PO4-3 + 3 H+ = Hfo_wH2PO4 + H2O
+        log_k 31.29
+        Hfo_wOH + PO4-3 + 2 H+ = Hfo_wHPO4- + H2O
+        log_k 25.39
+        Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O
+        log_k 17.72
+#   Arsenate
+        Hfo_wOH + AsO4-3 + 3 H+ = Hfo_wH2AsO4 + H2O
+        log_k 29.31
+        Hfo_wOH + AsO4-3 + 2 H+ = Hfo_wHAsO4- + H2O
+        log_k 23.51
+        Hfo_wOH + AsO4-3 = Hfo_wOHAsO4-3
+        log_k 10.58
+#
+#   Anions from table 10.7
+#
+#   Arsenite
+        Hfo_wOH + H3AsO3 = Hfo_wH2AsO3 + H2O
+        log_k 5.41
+#   Borate
+        Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O
+        log_k 0.62
+#
+#   Anions from table 10.8
+#
+#   Sulfate
+        Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O
+        log_k 7.78
+        Hfo_wOH + SO4-2 = Hfo_wOHSO4-2
+        log_k 0.79
+#   Selenate
+        Hfo_wOH + SeO4-2 + H+ = Hfo_wSeO4- + H2O
+        log_k 7.73
+        Hfo_wOH + SeO4-2 = Hfo_wOHSeO4-2
+        log_k 0.8
+#   Selenite
+        Hfo_wOH + SeO3-2 + H+ = Hfo_wSeO3- + H2O
+        log_k 12.69
+        Hfo_wOH + SeO3-2 = Hfo_wOHSeO3-2
+        log_k 5.17
+#
+#   Derived constants table 10.10
+#
+        Hfo_wOH + F- + H+ = Hfo_wF + H2O
+        log_k 8.7
+        Hfo_wOH + F- = Hfo_wOHF-
+        log_k 1.6
+#
+# Carbonate: Van Geen et al., 1994 reoptimized for HFO
+# 0.15 g HFO/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L
+#
+       Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O
+       log_k 12.56
+       Hfo_wOH + CO3-2 + 2 H+ = Hfo_wHCO3 + H2O
+       log_k 20.62
+#
+# Silicate: Swedlund, P.J. and Webster, J.G., 1999. Water Research, 33, 3413-3422.
+#
+	Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O; log_K 4.28
+	Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O; log_K -3.22
+	Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2 H+ + H2O; log_K -11.69
+RATES
+###########
+#Quartz
+###########
+#
+#######
+# Example of quartz kinetic rates block:
+#	KINETICS
+#	Quartz
+#		-m0  158.8	    # 90 % Qu
+#		-parms 0.146  1.5
+#		-step 3.1536e8 in 10
+#		-tol 1e-12
+Quartz
+  -start
+1 REM Specific rate k from Rimstidt and Barnes, 1980, GCA 44,1683
+2 REM k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol
+3 REM sp. rate * parm(2) due to salts (Dove and Rimstidt, MSA Rev. 29, 259)
+4 REM PARM(1) = Specific area of Quartz, m^2/mol Quartz
+5 REM PARM(2) = salt correction: (1 + 1.5 * c_Na (mM)), < 35
+10 dif_temp = 1/TK - 1/298
+20 pk_w = 13.7 + 4700.4 * dif_temp
+40 moles = PARM(1) * M0 * PARM(2) * (M/M0)^0.67 * 10^-pk_w * (1 - SR("Quartz"))
+#			 Integrate...
+50 SAVE moles * TIME
+  -end
+###########
+#K-feldspar
+###########
+#
+# Sverdrup and Warfvinge, 1995, Estimating field weathering rates
+# using laboratory kinetics: Reviews in mineralogy and geochemistry,
+# vol. 31, p. 485-541.
+#
+# As described in:
+# Appelo and Postma, 2005, Geochemistry, groundwater
+# and pollution, 2nd Edition: A.A. Balkema Publishers,
+# p. 162-163 and 395-399.
+#
+# Assume soil is 10% K-feldspar by mass in 1 mm spheres (radius 0.05 mm)
+# Assume density of rock and Kspar is 2600 kg/m^3 = 2.6 kg/L
+# GFW Kspar 0.278 kg/mol
+#
+# Moles of Kspar per liter pore space calculation:
+#   Mass of rock per liter pore space = 0.7*2.6/0.3       = 6.07     kg rock/L pore space
+#   Mass of Kspar per liter pore space 6.07x0.1           = 0.607    kg Kspar/L pore space
+#   Moles of Kspar per liter pore space 0.607/0.278       = 2.18     mol Kspar/L pore space
+#
+# Specific area calculation:
+#   Volume of sphere 4/3 x pi x r^3                       = 5.24e-13 m^3 Kspar/sphere
+#   Mass of sphere 2600 x 5.24e-13                        = 1.36e-9  kg Kspar/sphere
+#   Moles of Kspar in sphere 1.36e-9/0.278                = 4.90e-9  mol Kspar/sphere
+#   Surface area of one sphere 4 x pi x r^2               = 3.14e-8  m^2/sphere
+#   Specific area of K-feldspar in sphere 3.14e-8/4.90e-9 = 6.41 m^2/mol Kspar
+#
+#
+# Example of KINETICS data block for K-feldspar rate:
+#       KINETICS 1
+#       K-feldspar
+#               -m0 2.18            # 10% Kspar, 0.1 mm cubes
+#               -m  2.18            # Moles per L pore space
+#               -parms 6.41  0.1    # m^2/mol Kspar, fraction adjusts lab rate to field rate
+#               -time 1.5 year in 40
+K-feldspar
+ -start
+1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
+2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar
+3 REM PARM(2) = Adjusts lab rate to field rate
+4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
+5 REM K-Feldspar parameters
+10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3
+20 RESTORE 10
+30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
+40 DATA 3500, 2000, 2500, 2000
+50 RESTORE 40
+60 READ e_H, e_H2O, e_OH, e_CO2
+70 pk_CO2 = 13
+80 n_CO2 = 0.6
+100 REM Generic rate follows
+110 dif_temp = 1/TK - 1/281
+120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
+130 REM rate by H+
+140 pk_H = pk_H + e_H * dif_temp
+150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
+160 REM rate by hydrolysis
+170 pk_H2O = pk_H2O + e_H2O * dif_temp
+180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC)
+190 REM rate by OH-
+200 pk_OH = pk_OH + e_OH * dif_temp
+210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH
+220 REM rate by CO2
+230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp
+240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2
+250 rate = rate_H + rate_H2O + rate_OH + rate_CO2
+260 area = PARM(1) * M0 *(M/M0)^0.67
+270 rate = PARM(2) * area * rate * (1-SR("K-feldspar"))
+280 moles = rate * TIME
+290 SAVE moles
+ -end
+###########
+#Albite
+###########
+#
+# Sverdrup and Warfvinge, 1995, Estimating field weathering rates
+# using laboratory kinetics: Reviews in mineralogy and geochemistry,
+# vol. 31, p. 485-541.
+#
+# As described in:
+# Appelo and Postma, 2005, Geochemistry, groundwater
+# and pollution, 2nd Edition: A.A. Balkema Publishers,
+# p. 162-163 and 395-399.
+#
+# Example of KINETICS data block for Albite rate:
+#       KINETICS 1
+#       Albite
+#               -m0 0.46            # 2% Albite, 0.1 mm cubes
+#               -m  0.46            # Moles per L pore space
+#               -parms 6.04  0.1    # m^2/mol Albite, fraction adjusts lab rate to field rate
+#               -time 1.5 year in 40
+#
+# Assume soil is 2% Albite by mass in 1 mm spheres (radius 0.05 mm)
+# Assume density of rock and Albite is 2600 kg/m^3 = 2.6 kg/L
+# GFW Albite 0.262 kg/mol
+#
+# Moles of Albite per liter pore space calculation:
+#   Mass of rock per liter pore space = 0.7*2.6/0.3       = 6.07     kg rock/L pore space
+#   Mass of Albite per liter pore space 6.07x0.02         = 0.121    kg Albite/L pore space
+#   Moles of Albite per liter pore space 0.607/0.262      = 0.46     mol Albite/L pore space
+#
+# Specific area calculation:
+#   Volume of sphere 4/3 x pi x r^3                       = 5.24e-13 m^3 Albite/sphere
+#   Mass of sphere 2600 x 5.24e-13                        = 1.36e-9  kg Albite/sphere
+#   Moles of Albite in sphere 1.36e-9/0.262               = 5.20e-9  mol Albite/sphere
+#   Surface area of one sphere 4 x pi x r^2               = 3.14e-8  m^2/sphere
+#   Specific area of Albite in sphere 3.14e-8/5.20e-9     = 6.04 m^2/mol Albite
+Albite
+ -start
+1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
+2 REM PARM(1) = Specific area of Albite m^2/mol Albite
+3 REM PARM(2) = Adjusts lab rate to field rate
+4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
+5 REM Albite parameters
+10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3
+20 RESTORE 10
+30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
+40 DATA 3500, 2000, 2500, 2000
+50 RESTORE 40
+60 READ e_H, e_H2O, e_OH, e_CO2
+70 pk_CO2 = 13
+80 n_CO2 = 0.6
+100 REM Generic rate follows
+110 dif_temp = 1/TK - 1/281
+120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
+130 REM rate by H+
+140 pk_H = pk_H + e_H * dif_temp
+150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
+160 REM rate by hydrolysis
+170 pk_H2O = pk_H2O + e_H2O * dif_temp
+180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC)
+190 REM rate by OH-
+200 pk_OH = pk_OH + e_OH * dif_temp
+210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH
+220 REM rate by CO2
+230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp
+240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2
+250 rate = rate_H + rate_H2O + rate_OH + rate_CO2
+260 area = PARM(1) * M0 *(M/M0)^0.67
+270 rate = PARM(2) * area * rate * (1-SR("Albite"))
+280 moles = rate * TIME
+290 SAVE moles
+ -end
+########
+#Calcite
+########
+# Example of KINETICS data block for calcite rate,
+#   in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257
+# KINETICS 1
+# Calcite
+# -tol   1e-8
+# -m0    3.e-3
+# -m     3.e-3
+# -parms 1.67e5   0.6  # cm^2/mol calcite, exp factor
+# -time  1 day
+Calcite
+   -start
+1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite
+2 REM PARM(2) = exponent for M/M0
+10 si_cc = SI("Calcite")
+20 IF (M <= 0 and si_cc < 0) THEN GOTO 200
+30 k1 = 10^(0.198 - 444 / TK )
+40 k2 = 10^(2.84 - 2177 /TK )
+50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317 / TK)
+60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737 / TK )
+80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M
+110 rate = area * (k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O"))
+120 rate = rate * (1 - 10^(2/3*si_cc))
+130 moles = rate * 0.001 * TIME # convert from mmol to mol
+200 SAVE moles
+   -end
+#######
+#Pyrite
+#######
+#
+# Williamson, M.A. and Rimstidt, J.D., 1994,
+# Geochimica et Cosmochimica Acta, v. 58, p. 5443-5454,
+# rate equation is mol m^-2 s^-1.
+#
+# Example of KINETICS data block for pyrite rate:
+#       KINETICS 1
+#       Pyrite
+#               -tol    1e-8
+#               -m0     5.e-4
+#               -m      5.e-4
+#               -parms  0.3     0.67     .5      -0.11
+#               -time 1 day in 10
+Pyrite
+  -start
+1 REM Williamson and Rimstidt, 1994
+2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite)
+3 REM PARM(2) = exp for (M/M0)
+4 REM PARM(3) = exp for O2
+5 REM PARM(4) = exp for H+
+10 REM Dissolution in presence of DO
+20 if (M <= 0) THEN GOTO 200
+30 if (SI("Pyrite") >= 0) THEN GOTO 200
+40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+")
+50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0)
+60 moles = 10^(log_area + log_rate) * TIME
+200 SAVE moles
+  -end
+##########
+#Organic_C
+##########
+#
+# Example of KINETICS data block for SOC (sediment organic carbon):
+#       KINETICS 1
+#       Organic_C
+#               -formula C
+#               -tol    1e-8
+#               -m      5e-3   # SOC in mol
+#               -time 30 year in 15
+Organic_C
+ -start
+1 REM Additive Monod kinetics for SOC (sediment organic carbon)
+2 REM Electron acceptors: O2, NO3, and SO4
+10 if (M <= 0) THEN GOTO 200
+20 mO2 = MOL("O2")
+30 mNO3 = TOT("N(5)")
+40 mSO4 = TOT("S(6)")
+50 k_O2 = 1.57e-9 # 1/sec
+60 k_NO3 = 1.67e-11 # 1/sec
+70 k_SO4 = 1.e-13 # 1/sec
+80 rate = k_O2 * mO2/(2.94e-4 + mO2)
+90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3)
+100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4)
+110 moles = rate * M * (M/M0) * TIME
+200 SAVE moles
+ -end
+###########
+#Pyrolusite
+###########
+#
+# Postma, D. and Appelo, C.A.J., 2000, GCA, vol. 64, pp. 1237-1247.
+# Rate equation given as mol L^-1 s^-1
+#
+# Example of KINETICS data block for Pyrolusite
+#       KINETICS 1-12
+#       Pyrolusite
+#               -tol    1.e-7
+#               -m0     0.1
+#               -m      0.1
+#               -time 0.5 day in 10
+Pyrolusite
+  -start
+10 if (M <= 0) THEN GOTO 200
+20 sr_pl = SR("Pyrolusite")
+30 if (sr_pl > 1) THEN GOTO 100
+40 REM sr_pl <= 1, undersaturated
+50 Fe_t = TOT("Fe(2)")
+60 if Fe_t < 1e-8 then goto 200
+70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl)
+80 GOTO 200
+100 REM sr_pl > 1, supersaturated
+110 moles = 2e-3 * 6.98e-5 * (1 - sr_pl) * TIME
+200 SAVE moles * SOLN_VOL
+  -end
+END