PyPI - pyEQL - Versions diffs - 1.4.0rc9__cp312-cp312-macosx_10_13_x86_64.whl - Mend

pyEQL 1.4.0rc9__cp312-cp312-macosx_10_13_x86_64.whl

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.

Files changed (491) hide show

pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/wateq4f.dat ADDED Viewed

@@ -0,0 +1,4036 @@
+# 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