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pyEQL 1.4.0rc9__cp313-cp313-macosx_10_13_x86_64.whl

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pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/com/python/wateq4f.dat ADDED Viewed

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+#  $Id: wateq4f.dat 431 2005-08-23 17:29:36Z dlpark $
+# Revised arsenic data from Archer and Nordstrom (2002)
+SOLUTION_MASTER_SPECIES
+Ag       Ag+            0.0     107.868         107.868
+Al       Al+3           0.0     26.9815         26.9815
+Alkalinity CO3-2        1.0     50.05           50.05
+As       H3AsO4        -1.0     74.9216         74.9216
+As(+3)   H3AsO3         0.0     74.9216         74.9216
+As(+5)   H3AsO4        -1.0     74.9216
+B        H3BO3          0.0     10.81           10.81
+Ba       Ba+2           0.0     137.34          137.34
+Br       Br-            0.0     79.904          79.904
+C        CO3-2          2.0     61.0173         12.0111
+C(+4)    CO3-2          2.0     61.0173
+C(-4)    CH4            0.0     16.042
+Ca       Ca+2           0.0     40.08           40.08
+Cd       Cd+2           0.0     112.4           112.4
+Cl       Cl-            0.0     35.453          35.453
+Cs       Cs+            0.0     132.905         132.905
+Cu       Cu+2           0.0     63.546          63.546
+Cu(+1)   Cu+1           0.0     63.546
+Cu(+2)   Cu+2           0.0     63.546
+E        e-             0.0     0.0             0.0
+F        F-             0.0     18.9984         18.9984
+Fe       Fe+2           0.0     55.847          55.847
+Fe(+2)   Fe+2           0.0     55.847
+Fe(+3)   Fe+3           -2.0    55.847
+Fulvate  Fulvate-2      0.0     650.            650.
+H        H+             -1.     1.008           1.008
+H(0)     H2             0.0     1.008
+H(1)     H+             -1.     1.008
+Humate   Humate-2       0.0     2000.           2000.
+I        I-             0.0     126.9044        126.9044
+K        K+             0.0     39.102          39.102
+Li       Li+            0.0     6.939           6.939
+Mg       Mg+2           0.0     24.312          24.312
+Mn       Mn+2           0.0     54.938          54.938
+Mn(2)    Mn+2           0.0     54.938
+Mn(3)    Mn+3           0.0     54.938
+Mn(6)    MnO4-2         0.0     54.938
+Mn(7)    MnO4-          0.0     54.938
+N        NO3-           0.0     14.0067         14.0067
+N(-3)    NH4+           0.0     14.0067
+N(0)     N2             0.0     14.0067
+N(+3)    NO2-           0.0     14.0067
+N(+5)    NO3-           0.0     14.0067
+Na       Na+            0.0     22.9898         22.9898
+Ni       Ni+2           0.0     58.71           58.71
+O        H2O            0.0     16.00           16.00
+O(-2)    H2O            0.0     18.016
+O(0)     O2             0.0     16.00
+P        PO4-3          2.0     30.9738         30.9738
+Pb       Pb+2           0.0     207.19          207.19
+Rb       Rb+            0.0     85.47           85.47
+S        SO4-2          0.0     96.0616         32.064
+S(-2)    H2S            0.0     32.064
+S(6)     SO4-2          0.0     96.0616
+Se       SeO4-2         0.0     78.96           78.96
+Se(-2)   HSe-           0.0     78.96
+Se(4)    SeO3-2         0.0     78.96
+Se(6)    SeO4-2         0.0     78.96
+Si       H4SiO4         0.0     60.0843         28.0843
+Sr       Sr+2           0.0     87.62           87.62
+Zn       Zn+2           0.0     65.37           65.37
+U        UO2+2          0.0     238.0290        238.0290
+U(3)     U+3            0.0     238.0290        238.0290
+U(4)     U+4            0.0     238.0290        238.0290
+U(5)     UO2+           0.0     238.0290        238.0290
+U(6)     UO2+2          0.0     238.0290        238.0290
+SOLUTION_SPECIES
+#H+ primary master species
+        H+ = H+
+        log_k           0.0
+        -gamma    9.0    0.0
+#e- primary master species
+        e- = e-
+        log_k           0.0
+#H2O primary master species
+        H2O = H2O
+        log_k           0.0
+#Ag+ primary master species
+        Ag+ = Ag+
+        log_k           0.0
+#Al+3 primary master species
+        Al+3 = Al+3
+        log_k           0.0
+#H3AsO4 primary master species
+        H3AsO4 = H3AsO4
+        log_k           0.0
+#H3BO3 primary master species
+        H3BO3 = H3BO3
+        log_k           0.0
+#Ba+2 primary master species
+        Ba+2 = Ba+2
+        log_k           0.0
+#Br- primary master species
+        Br- = Br-
+        log_k           0.0
+#CO3-2 primary master species
+        CO3-2 = CO3-2
+        log_k           0.0
+        -gamma  5.4     0.0
+#Ca+2 primary master species
+        Ca+2 = Ca+2
+        log_k           0.0
+        -gamma  5.0     0.165
+#Cd+2 primary master species
+        Cd+2 = Cd+2
+        log_k           0.0
+#Cl- primary master species
+        Cl- = Cl-
+        log_k           0.0
+        -gamma  3.5     0.015
+#Cs+ primary master species
+        Cs+ = Cs+
+        log_k           0.0
+#Cu+2 primary master species
+        Cu+2 = Cu+2
+        log_k           0.0
+#F- primary master species
+        F- = F-
+        log_k           0.0
+#Fe+2 primary master species
+        Fe+2 = Fe+2
+        log_k           0.0
+#Fulvate-2 primary master species
+        Fulvate-2 = Fulvate-2
+        log_k           0.0
+#Humate-2 primary master species
+        Humate-2 = Humate-2
+        log_k           0.0
+#I- primary master species
+        I- = I-
+        log_k           0.0
+#K+ primary master species
+        K+ = K+
+        log_k           0.0
+        -gamma  3.5     0.015
+#Li+ primary master species
+        Li+ = Li+
+        log_k           0.0
+#Mg+2 primary master species
+        Mg+2 = Mg+2
+        log_k           0.0
+        -gamma  5.5     0.200
+#Mn+2 primary master species
+        Mn+2 = Mn+2
+        log_k           0.0
+#NO3- primary master species
+        NO3- = NO3-
+        log_k           0.0
+#Na+ primary master species
+        Na+ = Na+
+        log_k           0.0
+        -gamma  4.0     0.075
+#Ni+2 primary master species
+        Ni+2 = Ni+2
+        log_k           0.0
+#PO4-3 primary master species
+        PO4-3 = PO4-3
+        log_k           0.0
+#Pb+2 primary master species
+        Pb+2 = Pb+2
+        log_k           0.0
+#Rb+ primary master species
+        Rb+ = Rb+
+        log_k           0.0
+#SO4-2 primary master species
+        SO4-2 = SO4-2
+        log_k           0.0
+        -gamma  5.0     -0.040
+#SeO4-2 primary master species
+        SeO4-2 = SeO4-2
+        log_k           0.0
+#H4SiO4 primary master species
+        H4SiO4 = H4SiO4
+        log_k           0.0
+#Sr+2 primary master species
+        Sr+2 = Sr+2
+        log_k           0.0
+        -gamma  5.26    0.121
+#UO2+2 primary master species
+        UO2+2 = UO2+2
+        log_k           0.0
+#Zn+2 primary master species
+        Zn+2 = Zn+2
+        log_k           0.0
+#Fe+3 secondary master species  0
+        Fe+2 = Fe+3 + e-
+        log_k           -13.020
+        delta_h 9.680 kcal
+#FeOH+2              1
+        Fe+3 + H2O = FeOH+2 + H+
+        log_k           -2.19
+        delta_h 10.4 kcal
+#FeOH+               2
+        Fe+2 + H2O = FeOH+ + H+
+        log_k           -9.5
+        delta_h 13.2 kcal
+#Fe(OH)3-            3
+        Fe+2 + 3H2O = Fe(OH)3- + 3H+
+        log_k           -31.0
+        delta_h 30.3 kcal
+#FeSO4+              4
+        Fe+3 + SO4-2 = FeSO4+
+        log_k           4.04
+        delta_h 3.91 kcal
+#FeCl+2              5
+        Fe+3 + Cl- = FeCl+2
+        log_k           1.48
+        delta_h 5.6 kcal
+#FeCl2+              6
+        Fe+3 + 2Cl- = FeCl2+
+        log_k           2.13
+#FeCl3               7
+        Fe+3 + 3Cl- = 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       -1119669.0
+#H2SiO4-2            14
+        H4SiO4 = H2SiO4-2 + 2H+
+        log_k           -23.0
+        delta_h 17.6 kcal
+        -analytical -294.0184   -0.07265        11204.49        108.18466       -1119669.0
+#HPO4-2              15
+        H+ + PO4-3 = HPO4-2
+        log_k           12.346
+        delta_h -3.53 kcal
+#H2PO4-              16
+        2H+ + PO4-3 = H2PO4-
+        log_k           19.553
+        delta_h -4.52 kcal
+#MgF+                22
+        Mg+2 + F- = MgF+
+        log_k           1.82
+        delta_h 3.2 kcal
+#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
+#H3BO3               25
+        H3BO3 = H2BO3- + H+
+        log_k           -9.24
+        delta_h 3.224 kcal
+#       -analytical 24.3919    0.012078   -1343.9    -13.2258
+#NH3                 26
+        NH4+ = NH3 + H+
+        log_k           -9.252
+        delta_h 12.48 kcal
+        -analytic    0.6322    -0.001225    -2835.76
+#NaHPO4-             30
+        Na+ + HPO4-2 = NaHPO4-
+        log_k           0.29
+#KHPO4-              32
+        K+ + HPO4-2 = KHPO4-
+        log_k           0.29
+#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     0.0
+#NaCO3-              69
+        Na+ + CO3-2 = NaCO3-
+        log_k           1.27
+        delta_h 8.91 kcal
+#NaHCO3              70
+        Na+ + HCO3- = NaHCO3
+        log_k           -0.25
+#NaSO4-              71
+        Na+ + SO4-2 = NaSO4-
+        log_k           0.7
+        delta_h 1.12 kcal
+#KSO4-               72
+        K+ + SO4-2 = KSO4-
+        log_k           0.85
+        delta_h 2.25 kcal
+        -analytical      3.106  0.0   -673.6
+#MgCO3               73
+        Mg+2 + CO3-2 = MgCO3
+        log_k           2.98
+        delta_h 2.713 kcal
+        -analytical     0.9910          0.00667
+#MgHCO3+             74
+        Mg+2 + HCO3- = MgHCO3+
+        log_k           1.07
+        delta_h 0.79 kcal
+        -analytical     -59.215         0.0     2537.455        20.92298        0.0
+#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
+#CaHCO3+             77
+        Ca+2 + HCO3- = CaHCO3+
+        log_k           1.106
+        delta_h 2.69 kcal
+        -analytical     1209.12         0.31294         -34765.05       -478.782        0.0
+#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         0.0
+#SrHCO3+             79
+        Sr+2 + HCO3- = SrHCO3+
+        log_k           1.18
+        delta_h 6.05 kcal
+        -analytical     -3.248  0.014867        0.0     0.0     0.0
+        -gamma  5.4     0.0
+#AlOH+2              80
+        Al+3 + H2O = AlOH+2 + H+
+        log_k           -5.0
+        delta_h 11.49 kcal
+        -analytical     -38.253         0.0     -656.27         14.327  0.0
+#Al(OH)2+            81
+        Al+3 + 2H2O = Al(OH)2+ + 2H+
+        log_k           -10.1
+        delta_h 26.9 kcal
+        -analytical     88.5    0.0     -9391.6         -27.121         0.0
+#Al(OH)3             336
+        Al+3 + 3H2O = Al(OH)3 + 3H+
+        log_k           -16.9
+        delta_h 39.89 kcal
+        -analytical     226.374         0.0     -18247.8        -73.597         0.0
+#Al(OH)4-            82
+        Al+3 + 4H2O = Al(OH)4- + 4H+
+        log_k           -22.7
+        delta_h 42.3 kcal
+        -analytical     51.578          0.0     -11168.9        -14.865         0.0
+#AlF+2               83
+        Al+3 + F- = AlF+2
+        log_k           7.0
+        delta_h 1.06 kcal
+#AlF2+               84
+        Al+3 + 2F- = AlF2+
+        log_k           12.7
+        delta_h 1.98 kcal
+#AlF3                85
+        Al+3 + 3F- = AlF3
+        log_k           16.8
+        delta_h 2.16 kcal
+#AlF4-               86
+        Al+3 + 4F- = AlF4-
+        log_k           19.4
+        delta_h 2.2 kcal
+#AlSO4+              87
+        Al+3 + SO4-2 = AlSO4+
+        log_k           3.5
+        delta_h 2.29 kcal
+#Al(SO4)2-           88
+        Al+3 + 2SO4-2 = Al(SO4)2-
+        log_k           5.0
+        delta_h 3.11 kcal
+#HSO4-               89
+        H+ + SO4-2 = HSO4-
+        log_k           1.988
+        delta_h 3.85 kcal
+        -analytical     -56.889         0.006473        2307.9          19.8858         0.0
+#H2S secondary master species   90
+        SO4-2 + 10H+ + 8e- = H2S + 4H2O
+        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  -3279.0
+#S-2                 92
+        HS- = S-2 + H+
+        log_k           -12.918
+        delta_h 12.1 kcal
+#oxy                 93
+#       0.5H2O = 0.25O2 + H+ + e-
+#       log_k           -20.780
+#       delta_h 34.157000 kcal
+#O2 secondary master species
+        2H2O = O2 + 4H+ + 4e-
+        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 + 2H2O = Fe(OH)2+ + 2H+
+        log_k           -5.67
+        delta_h 17.1 kcal
+#Fe(OH)3             103
+        Fe+3 + 3H2O = Fe(OH)3 + 3H+
+        log_k           -12.56
+        delta_h 24.8 kcal
+#Fe(OH)4-            104
+        Fe+3 + 4H2O = Fe(OH)4- + 4H+
+        log_k           -21.6
+        delta_h 31.9 kcal
+#Fe(OH)2             105
+        Fe+2 + 2H2O = Fe(OH)2 + 2H+
+        log_k           -20.57
+        delta_h 28.565 kcal
+#FeH2PO4+            120
+        Fe+2 + H2PO4- = FeH2PO4+
+        log_k           2.7
+#CaPO4-              121
+        Ca+2 + PO4-3 = CaPO4-
+        log_k           6.459
+        delta_h 3.1 kcal
+#CaH2PO4+            122
+        Ca+2 + H2PO4- = CaH2PO4+
+        log_k           1.408
+        delta_h 3.4 kcal
+#MgPO4-              123
+        Mg+2 + PO4-3 = MgPO4-
+        log_k           6.589
+        delta_h 3.1 kcal
+#MgH2PO4+            124
+        Mg+2 + H2PO4- = MgH2PO4+
+        log_k           1.513
+        delta_h 3.4 kcal
+#LiSO4-              126
+        Li+ + SO4-2 = LiSO4-
+        log_k           0.64
+#N2  secondary master species
+        2 NO3- + 12 H+ + 10 e- = N2 + 6 H2O
+        log_k           207.080
+        delta_h -312.130 kcal
+#NH4 secondary master species 127
+        NO3- + 10H+ + 8e- = NH4+ + 3H2O
+        log_k           119.077
+        delta_h -187.055 kcal
+#SrOH+               129
+        Sr+2 + H2O = SrOH+ + H+
+        log_k           -13.29
+        -gamma  5.0     0.0
+#BaOH+               130
+        Ba+2 + H2O = BaOH+ + H+
+        log_k           -13.47
+#NH4SO4-             131
+        NH4+ + SO4-2 = NH4SO4-
+        log_k           1.11
+#SrCO3               135
+        Sr+2 + CO3-2 = SrCO3
+        log_k           2.81
+        delta_h 5.22 kcal
+        -analytical     -1.019          0.012826        0.0     0.0     0.0
+        -gamma  5.0     0.0
+#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
+#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           -14.0
+        delta_h 13.362 kcal
+        -analytical     -283.971        -0.05069842     13323.0         102.24447       -1119669.0
+#FeH2PO4+2           156
+        Fe+3 + H2PO4- = FeH2PO4+2
+        log_k           5.43
+#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
+#BF(OH)3-            161
+        H3BO3 + F- = BF(OH)3-
+        log_k           -0.4
+        delta_h 1.85 kcal
+#BF2(OH)2-           162
+        H3BO3 + H+ + 2F- = BF2(OH)2- + H2O
+        log_k           7.63
+        delta_h 1.618 kcal
+#BF3OH-              163
+        H3BO3 + 2H+ + 3F- = BF3OH- + 2H2O
+        log_k           13.67
+        delta_h -1.614 kcal
+#BF4-                164
+        H3BO3 + 3H+ + 4F- = BF4- + 3H2O
+        log_k           20.28
+        delta_h -1.846 kcal
+#FeF+2               165
+        Fe+3 + F- = FeF+2
+        log_k           6.2
+        delta_h 2.7 kcal
+#FeF2+               166
+        Fe+3 + 2F- = FeF2+
+        log_k           10.8
+        delta_h 4.8 kcal
+#FeF3                167
+        Fe+3 + 3F- = FeF3
+        log_k           14.0
+        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
+#MnCl+               170
+        Mn+2 + Cl- = MnCl+
+        log_k           0.61
+#MnCl2               171
+        Mn+2 + 2Cl- = MnCl2
+        log_k           0.25
+#MnCl3-              172
+        Mn+2 + 3Cl- = MnCl3-
+        log_k           -0.31
+#MnOH+               173
+        Mn+2 + H2O = MnOH+ + H+
+        log_k           -10.59
+        delta_h 14.4 kcal
+#Mn(OH)3-            174
+        Mn+2 + 3H2O = Mn(OH)3- + 3H+
+        log_k           -34.8
+#MnF+                175
+        Mn+2 + F- = MnF+
+        log_k           0.84
+#MnSO4               176
+        Mn+2 + SO4-2 = MnSO4
+        log_k           2.25
+        delta_h 3.37 kcal
+#Mn(NO3)2            177
+        Mn+2 + 2NO3- = Mn(NO3)2
+        log_k           0.6
+        delta_h -0.396 kcal
+#MnHCO3+             178
+        Mn+2 + HCO3- = MnHCO3+
+        log_k           1.95
+#MnO4- secondary master species   179
+        Mn+2 + 4H2O = MnO4- + 8H+ + 5e-
+        log_k           -127.824
+        delta_h 176.62 kcal
+#MnO4-2 secondary master species   180
+        Mn+2 + 4H2O = MnO4-2 + 8H+ + 4e-
+        log_k           -118.44
+        delta_h 150.02 kcal
+#SiF6-2              201
+        H4SiO4 + 4H+ + 6F- = SiF6-2 + 4H2O
+        log_k           30.18
+        delta_h -16.26 kcal
+#HF                  202
+        H+ + F- = HF
+        log_k           3.18
+        delta_h 3.18 kcal
+        -analytical     -2.033          0.012645        429.01          0.0     0.0
+#HF2-                203
+        H+ + 2F- = HF2-
+        log_k           3.76
+        delta_h 4.55 kcal
+#CuCl2-              206
+#       Cu+2 + 2Cl- + e- = CuCl2-
+#       log_k           8.220
+#       delta_h 1.230 kcal
+        Cu+ + 2Cl- = CuCl2-
+        log_k           5.50
+        delta_h -0.42 kcal
+#CuCl3-2             207
+#       Cu+2 + 3Cl- + e- = CuCl3-2
+#       log_k           8.420
+#       delta_h 1.910 kcal
+        Cu+ + 3Cl- = CuCl3-2
+        log_k           5.70
+        delta_h 0.26 kcal
+#Cu+ secondary master species  208
+        Cu+2 + e- = Cu+
+        log_k           2.72
+        delta_h 1.65 kcal
+#CuCO3               209
+        Cu+2 + CO3-2 = CuCO3
+        log_k           6.73
+#Cu(CO3)2-2          210
+        Cu+2 + 2CO3-2 = Cu(CO3)2-2
+        log_k           9.83
+#CuCl+               211
+        Cu+2 + Cl- = CuCl+
+        log_k           0.43
+        delta_h 8.65 kcal
+#CuCl2               212
+        Cu+2 + 2Cl- = CuCl2
+        log_k           0.16
+        delta_h 10.56 kcal
+#CuCl3-              213
+        Cu+2 + 3Cl- = CuCl3-
+        log_k           -2.29
+        delta_h 13.69 kcal
+#CuCl4-2             214
+        Cu+2 + 4Cl- = CuCl4-2
+        log_k           -4.59
+        delta_h 17.78 kcal
+#CuF+                215
+        Cu+2 + F- = CuF+
+        log_k           1.26
+        delta_h 1.62 kcal
+#CuOH+               216
+        Cu+2 + H2O = CuOH+ + H+
+        log_k           -8.0
+#Cu(OH)2             217
+        Cu+2 + 2H2O = Cu(OH)2 + 2H+
+        log_k           -13.68
+#Cu(OH)3-            218
+        Cu+2 + 3H2O = Cu(OH)3- + 3H+
+        log_k           -26.9
+#Cu(OH)4-2           219
+        Cu+2 + 4H2O = Cu(OH)4-2 + 4H+
+        log_k           -39.6
+#Cu2(OH)2+2          220
+        2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+
+        log_k           -10.359
+        delta_h 17.539 kcal
+        -analytical     2.497   0.0     -3833.0         0.0     0.0
+#CuSO4               221
+        Cu+2 + SO4-2 = CuSO4
+        log_k           2.31
+        delta_h 1.22 kcal
+#Cu(HS)3-            222
+        Cu+2 + 3HS- = Cu(HS)3-
+        log_k           25.9
+#ZnCl+               251
+        Zn+2 + Cl- = ZnCl+
+        log_k           0.43
+        delta_h 7.79 kcal
+#ZnCl2               252
+        Zn+2 + 2Cl- = ZnCl2
+        log_k           0.45
+        delta_h 8.5 kcal
+#ZnCl3-              253
+        Zn+2 + 3Cl- = ZnCl3-
+        log_k           0.5
+        delta_h 9.56 kcal
+#ZnCl4-2             254
+        Zn+2 + 4Cl- = ZnCl4-2
+        log_k           0.2
+        delta_h 10.96 kcal
+#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 + 2H2O = Zn(OH)2 + 2H+
+        log_k           -16.9
+#Zn(OH)3-            258
+        Zn+2 + 3H2O = Zn(OH)3- + 3H+
+        log_k           -28.4
+#Zn(OH)4-2           259
+        Zn+2 + 4H2O = Zn(OH)4-2 + 4H+
+        log_k           -41.2
+#ZnOHCl              260
+        Zn+2 + H2O + Cl- = ZnOHCl + H+
+        log_k           -7.48
+#Zn(HS)2             261
+        Zn+2 + 2HS- = Zn(HS)2
+        log_k           14.94
+#Zn(HS)3-            262
+        Zn+2 + 3HS- = 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 + 2SO4-2 = 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 + 2Cl- = CdCl2
+        log_k           2.6
+        delta_h 1.24 kcal
+#CdCl3-              296
+        Cd+2 + 3Cl- = CdCl3-
+        log_k           2.4
+        delta_h 3.9 kcal
+#CdF+                297
+        Cd+2 + F- = CdF+
+        log_k           1.1
+#CdF2                298
+        Cd+2 + 2F- = CdF2
+        log_k           1.5
+#Cd(CO3)2-2          299
+        Cd+2 + 2CO3-2 = 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 + 2H2O = Cd(OH)2 + 2H+
+        log_k           -20.35
+#Cd(OH)3-            302
+        Cd+2 + 3H2O = Cd(OH)3- + 3H+
+        log_k           -33.3
+#Cd(OH)4-2           303
+        Cd+2 + 4H2O = Cd(OH)4-2 + 4H+
+        log_k           -47.35
+#Cd2OH+3             304
+        2Cd+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 + 2HS- = Cd(HS)2
+        log_k           16.53
+#Cd(HS)3-            310
+        Cd+2 + 3HS- = Cd(HS)3-
+        log_k           18.71
+#Cd(HS)4-2           311
+        Cd+2 + 4HS- = Cd(HS)4-2
+        log_k           20.9
+#Fe(SO4)2-           333
+        Fe+3 + 2SO4-2 = Fe(SO4)2-
+        log_k           5.38
+        delta_h 4.6 kcal
+#Fe2(OH)2+4          334
+        2Fe+3 + 2H2O = Fe2(OH)2+4 + 2H+
+        log_k           -2.95
+        delta_h 13.5 kcal
+#Fe3(OH)4+5          335
+        3Fe+3 + 4H2O = Fe3(OH)4+5 + 4H+
+        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 + 2Cl- = PbCl2
+        log_k           1.8
+        delta_h 1.08 kcal
+#PbCl3-              343
+        Pb+2 + 3Cl- = PbCl3-
+        log_k           1.7
+        delta_h 2.17 kcal
+#PbCl4-2             344
+        Pb+2 + 4Cl- = PbCl4-2
+        log_k           1.38
+        delta_h 3.53 kcal
+#Pb(CO3)2-2          345
+        Pb+2 + 2CO3-2 = Pb(CO3)2-2
+        log_k           10.64
+#PbF+                346
+        Pb+2 + F- = PbF+
+        log_k           1.25
+#PbF2                347
+        Pb+2 + 2F- = PbF2
+        log_k           2.56
+#PbF3-               348
+        Pb+2 + 3F- = PbF3-
+        log_k           3.42
+#PbF4-2              349
+        Pb+2 + 4F- = PbF4-2
+        log_k           3.1
+#PbOH+               350
+        Pb+2 + H2O = PbOH+ + H+
+        log_k           -7.71
+#Pb(OH)2             351
+        Pb+2 + 2H2O = Pb(OH)2 + 2H+
+        log_k           -17.12
+#Pb(OH)3-            352
+        Pb+2 + 3H2O = Pb(OH)3- + 3H+
+        log_k           -28.06
+#Pb2OH+3             353
+        2Pb+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 + 2HS- = Pb(HS)2
+        log_k           15.27
+#Pb(HS)3-            357
+        Pb+2 + 3HS- = Pb(HS)3-
+        log_k           16.57
+#Pb3(OH)4+2          358
+        3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+
+        log_k           -23.88
+        delta_h 26.5 kcal
+#FeF+                359
+        Fe+2 + F- = FeF+
+        log_k           1.0
+#AlHSO4+2            397
+        Al+3 + HSO4- = AlHSO4+2
+        log_k           0.46
+#NO2 secondary master species   400
+        NO3- + 2H+ + 2e- = 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 + 2H2O = Ni(OH)2 + 2H+
+        log_k           -19.0
+#Ni(OH)3-            408
+        Ni+2 + 3H2O = Ni(OH)3- + 3H+
+        log_k           -30.0
+#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+ + 2Br- = AgBr2-
+        log_k           7.28
+#AgCl                423
+        Ag+ + Cl- = AgCl
+        log_k           3.27
+        delta_h -2.68 kcal
+#AgCl2-              424
+        Ag+ + 2Cl- = AgCl2-
+        log_k           5.27
+        delta_h -3.93 kcal
+#AgCl3-2             425
+        Ag+ + 3Cl- = AgCl3-2
+        log_k           5.29
+#AgCl4-3             426
+        Ag+ + 4Cl- = 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+ + 2HS- = Ag(HS)2-
+        log_k           18.45
+#AgI                 430
+        Ag+ + I- = AgI
+        log_k           6.6
+#AgI2-               431
+        Ag+ + 2I- = AgI2-
+        log_k           10.68
+#AgOH                432
+        Ag+ + H2O = AgOH + H+
+        log_k           -12.0
+#Ag(OH)2-            433
+        Ag+ + 2H2O = Ag(OH)2- + 2H+
+        log_k           -24.0
+#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+ + 2NO2- = Ag(NO2)2-
+        log_k           2.22
+#ZnBr+               447
+        Zn+2 + Br- = ZnBr+
+        log_k           -0.58
+#ZnBr2               448
+        Zn+2 + 2Br- = ZnBr2
+        log_k           -0.98
+#ZnI+                449
+        Zn+2 + I- = ZnI+
+        log_k           -2.91
+#ZnI2                450
+        Zn+2 + 2I- = ZnI2
+        log_k           -1.69
+#CdBr+               451
+        Cd+2 + Br- = CdBr+
+        log_k           2.17
+        delta_h -0.81 kcal
+#CdBr2               452
+        Cd+2 + 2Br- = CdBr2
+        log_k           2.9
+#CdI+                453
+        Cd+2 + I- = CdI+
+        log_k           2.15
+        delta_h -2.37 kcal
+#CdI2                454
+        Cd+2 + 2I- = CdI2
+        log_k           3.59
+#PbBr+               455
+        Pb+2 + Br- = PbBr+
+        log_k           1.77
+        delta_h 2.88 kcal
+#PbBr2               456
+        Pb+2 + 2Br- = PbBr2
+        log_k           1.44
+#PbI+                457
+        Pb+2 + I- = PbI+
+        log_k           1.94
+#PbI2                458
+        Pb+2 + 2I- = PbI2
+        log_k           3.2
+#PbCO3               468
+        Pb+2 + CO3-2 = PbCO3
+        log_k           7.24
+#Pb(OH)4-2           469
+        Pb+2 + 4H2O = Pb(OH)4-2 + 4H+
+        log_k           -39.7
+#Pb(SO4)2-2          470
+        Pb+2 + 2SO4-2 = Pb(SO4)2-2
+        log_k           3.47
+#AgBr3-2             473
+        Ag+ + 3Br- = AgBr3-2
+        log_k           8.71
+#AgI3-2              474
+        Ag+ + 3I- = AgI3-2
+        log_k           13.37
+        delta_h -27.03 kcal
+#AgI4-3              475
+        Ag+ + 4I- = AgI4-3
+        log_k           14.08
+#Fe(HS)2             476
+        Fe+2 + 2HS- = Fe(HS)2
+        log_k           8.95
+#Fe(HS)3-            477
+        Fe+2 + 3HS- = 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 + 2H+
+	log_k	-23.85
+	delta_h	59.41	kJ
+#AsO3-3 		480
+	H3AsO3 = AsO3-3 + 3H+
+	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 + 2H+
+	log_k	-9.46
+	delta_h	-3.846	kJ
+#AsO43- 		484
+	H3AsO4 = AsO4-3 + 3H+
+	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
+	3H3AsO3 + 6HS- + 5H+ = As3S4(HS)2- + 9H2O
+	log_k	72.314
+#AsS(OH)(HS)- 		637
+	H3AsO3 + 2HS-  + H+ = AsS(OH)(HS)- + 2H2O
+	log_k	18.038
+#
+#  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     0.0
+#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     0.0
+#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    0.0
+#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    0.0
+#S6-2                506
+        HS- = S6-2 + H+                 # (lhs) +5S
+        log_k           -9.881
+        -no_check
+        -mass_balance   S(-2)6
+        -gamma  14.0    0.0
+#Ag(S4)2-3           507
+        Ag+ + 2HS- = Ag(S4)2-3 + 2H+    # (lhs) +6S
+        log_k           0.991
+        -no_check
+        -mass_balance   AgS(-2)8
+        -gamma  22.0    0.0
+#Ag(S4)S5-3          508
+        Ag+ + 2HS- = Ag(S4)S5-3 + 2H+   # (lhs) +7S
+        log_k           0.68
+        -no_check
+        -mass_balance   AgS(-2)9
+        -gamma  24.0    0.0
+#AgHS(S4)-2          509                # (lhs) +3S
+        Ag+ + 2HS- = AgHS(S4)-2 + H+
+        log_k           10.43
+        -no_check
+        -mass_balance   AgHS(-2)5
+        -gamma  15.0    0.0
+#
+#       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 + 2CO3-2 = 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 + 2SO4-2 = Cd(SO4)2-2
+        log_k           3.5
+#PbHCO3+             517
+        Pb+2 + HCO3- = PbHCO3+
+        log_k           2.9
+#NiCl2               518
+        Ni+2 + 2Cl- = 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 + 2CO3-2 = Ni(CO3)2-2
+        log_k           10.11
+#Ni(SO4)2-2          522
+        Ni+2 + 2SO4-2 = 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
+        2H+ + 2F- = 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
+#BaSO4               543
+        Ba+2 + SO4-2 = BaSO4
+        log_k           2.7
+#HSe- secondary master species   549
+        SeO3-2 + 7H+ + 6e- = HSe- + 3H2O
+        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 + 2H+ + 2e- = SeO3-2 + H2O
+        log_k           30.256
+#H2SeO3              545
+        SeO3-2 + 2H+ = 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           2.0
+#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     0.0     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     0.0     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 + 4H+ + 2e- = U+4 + 2H2O
+        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 + 2H2O = U(OH)2+2 + 2H+
+        log_k           -2.27
+        delta_h 17.73 kcal
+#U(OH)3+             569
+        U+4 + 3H2O = U(OH)3+ + 3H+
+        log_k           -4.935
+        delta_h 22.645 kcal
+#U(OH)4              570
+        U+4 + 4H2O = U(OH)4 + 4H+
+        log_k           -8.498
+        delta_h 24.76 kcal
+#U6(OH)15+9          572
+        6U+4 + 15H2O = U6(OH)15+9 + 15H+
+        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 + 2F- = UF2+2
+        log_k           16.22
+        delta_h -0.8 kcal
+#UF3+                580
+        U+4 + 3F- = UF3+
+        log_k           21.6
+        delta_h 0.1 kcal
+#UF4                 581
+        U+4 + 4F- = UF4
+        log_k           25.5
+        delta_h -0.87 kcal
+#UF5-                582
+        U+4 + 5F- = UF5-
+        log_k           27.01
+        delta_h 4.85 kcal
+#UF6-2               583
+        U+4 + 6F- = 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 + 2SO4-2 = U(SO4)2
+        log_k           10.5
+        delta_h 7.8 kcal
+#U(CO3)4-4           589
+        U+4 + 4CO3-2 = U(CO3)4-4
+        log_k           32.9
+#U(CO3)5-6           590
+        U+4 + 5CO3-2 = U(CO3)5-6
+        log_k           34.0
+        delta_h 20.0 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
+        2UO2+2 + 2H2O = (UO2)2(OH)2+2 + 2H+
+        log_k           -5.62
+        delta_h 10.23 kcal
+#(UO2)3(OH)5+        598
+        3UO2+2 + 5H2O = (UO2)3(OH)5+ + 5H+
+        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 + 2CO3-2 = UO2(CO3)2-2
+        log_k           17.0
+        delta_h 4.42 kcal
+#UO2(CO3)3-4         605
+        UO2+2 + 3CO3-2 = 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 + 2F- = UO2F2
+        log_k           8.62
+        delta_h 0.5 kcal
+#UO2F3-              609
+        UO2+2 + 3F- = UO2F3-
+        log_k           10.9
+        delta_h 0.56 kcal
+#UO2F4-2             610
+        UO2+2 + 4F- = 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 + 2SO4-2 = 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 + 2PO4-3 + 2H+ = UO2(HPO4)2-2
+        log_k           43.441
+        delta_h -11.8 kcal
+#UO2H2PO4+           616
+        UO2+2 + PO4-3 + 2H+ = UO2H2PO4+
+        log_k           22.87
+        delta_h -3.7 kcal
+#UO2H2PO4)2          617
+        UO2+2 + 2PO4-3 + 4H+ = UO2(H2PO4)2
+        log_k           44.38
+        delta_h -16.5 kcal
+#UO2H2PO4)3-         618
+        UO2+2 + 3PO4-3 + 6H+ = 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 + 2NO3- = U(NO3)2+2
+        log_k           2.3
+#UO2(OH)3-           638
+        UO2+2 + 3H2O = UO2(OH)3- + 3H+
+        log_k           -19.2
+#UO2(OH)4-2          639
+        UO2+2 + 4H2O = UO2(OH)4-2 + 4H+
+        log_k           -33.0
+#(UO2)2OH+3          640
+        2UO2+2 + H2O = (UO2)2OH+3 + H+
+        log_k           -2.7
+#(UO2)3(OH)4+2       641
+        3UO2+2 + 4H2O = (UO2)3(OH)4+2 + 4H+
+        log_k           -11.9
+#(UO2)3(OH)7-        642
+        3UO2+2 + 7H2O = (UO2)3(OH)7- + 7H+
+        log_k           -31.0
+#(UO2)4(OH)7+        643
+        4UO2+2 + 7H2O = (UO2)4(OH)7+ + 7H+
+        log_k           -21.9
+#UO2Cl2              644
+        UO2+2 + 2Cl- = 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 + 3H+ = UO2H3PO4+2
+        log_k           22.813
+#(UO2)3(CO3)6-6      648
+        3UO2+2 + 6CO3-2 = (UO2)3(CO3)6-6
+        log_k           54.0
+#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+ + 3CO3-2 = 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 + 2CO3-2
+        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  0.0
+Anhydrite           17
+        CaSO4 = Ca+2 + SO4-2
+        log_k           -4.36
+        delta_h -1.71 kcal
+        -analytical     197.52  0.0     -8669.8         -69.835         0.0
+Gypsum              18
+        CaSO4:2H2O = Ca+2 + SO4-2 + 2H2O
+        log_k           -4.58
+        delta_h -0.109 kcal
+        -analytical     68.2401         0.0     -3221.51        -25.0627        0.0
+Brucite             19
+        Mg(OH)2 + 2H+ = Mg+2 + 2H2O
+        log_k           16.84
+        delta_h -27.1 kcal
+Chrysotile          20
+        Mg3Si2O5(OH)4 + 6H+ = 3Mg+2 + 2H4SiO4 + H2O
+        log_k           32.2
+        delta_h -46.8 kcal
+        -analytical     13.248  0.0     10217.1         -6.1894         0.0
+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  0.0
+Forsterite          27
+        Mg2SiO4 + 4H+ = 2Mg+2 + H4SiO4
+        log_k           28.306
+        delta_h -48.578 kcal
+Diopside            28
+        CaMgSi2O6 + 4H+ + 2H2O = Ca+2 + Mg+2 + 2H4SiO4
+        log_k           19.894
+        delta_h -32.348 kcal
+Clinoenstatite      29
+        MgSiO3 + 2H+ + H2O = Mg+2 + H4SiO4
+        log_k           11.342
+        delta_h -20.049 kcal
+Tremolite           31
+        Ca2Mg5Si8O22(OH)2+14H+ +8H2O = 2Ca+2 +5Mg+2 +8H4SiO4
+        log_k           56.574
+        delta_h -96.853 kcal
+Sepiolite           36
+        Mg2Si3O7.5OH:3H2O+0.5H2O+4H+ = 2Mg+2 +3H4SiO4
+        log_k           15.76
+        delta_h -10.7 kcal
+Talc                37
+        Mg3Si4O10(OH)2+4H2O+6H+=3Mg+2 +4H4SiO4
+        log_k           21.399
+        delta_h -46.352 kcal
+Hydromagnesite      38
+        Mg5(CO3)4(OH)2:4H2O + 2H+ = 5Mg+2 + 4CO3-2 + 6H2O
+        log_k           -8.762
+        delta_h -52.244 kcal
+Adularia            39
+        KAlSi3O8 + 8H2O = K+ + Al(OH)4- + 3H4SiO4
+        log_k           -20.573
+        delta_h 30.82 kcal
+Albite              40
+        NaAlSi3O8 + 8H2O = Na+ + Al(OH)4- + 3H4SiO4
+        log_k           -18.002
+        delta_h 25.896 kcal
+Anorthite           41
+        CaAl2Si2O8 + 8H2O = Ca+2 + 2Al(OH)4- + 2H4SiO4
+        log_k           -19.714
+        delta_h 11.58 kcal
+Analcime            42
+        NaAlSi2O6:H2O + 5H2O = Na+ + Al(OH)4- + 2H4SiO4
+        log_k           -12.701
+        delta_h 18.206 kcal
+Kmica               43
+        KAl3Si3O10(OH)2+10H+=K+ +3Al+3 +3H4SiO4
+        log_k           12.703
+        delta_h -59.376 kcal
+Phlogopite          44
+        KMg3AlSi3O10(OH)2 + 10H+ = K+ + 3Mg+2 + Al+3 + 3H4SiO4
+        log_k           43.3
+        delta_h -42.30 kcal
+Illite              45
+        K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2H2O = 0.6K+ +0.25Mg+2 + 2.3Al(OH)4- + 3.5H4SiO4 + 1.2H+
+        log_k           -40.267
+        delta_h 54.684 kcal
+Kaolinite           46
+        Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O
+        log_k           7.435
+        delta_h -35.3 kcal
+Halloysite          47
+        Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O
+        log_k           12.498
+        delta_h -39.920 kcal
+Beidellite          48
+        (NaKMg0.5)0.11Al2.33Si3.67O10(OH)2 + 12H2O = 0.11Na+ + 0.11K+ + 0.055Mg+2 + 2.33Al(OH)4- + 3.67H4SiO4 + 2H+
+        log_k           -45.272
+        delta_h 60.355 kcal
+Chlorite14A         49
+        Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 + 3H4SiO4 + 6H2O
+        log_k           68.38
+        delta_h -151.494 kcal
+Alunite             50
+        KAl3(SO4)2(OH)6 + 6H+ = K+ + 3Al+3 + 2SO4-2 + 6H2O
+        log_k           -1.4
+        delta_h -50.25 kcal
+Gibbsite            51
+        Al(OH)3 + 3H+ = Al+3 + 3H2O
+        log_k           8.11
+        delta_h -22.8 kcal
+Boehmite            52
+        AlOOH + 3H+ = Al+3 + 2H2O
+        log_k           8.584
+        delta_h -28.181 kcal
+Pyrophyllite        53
+        Al2Si4O10(OH)2 + 12H2O = 2Al(OH)4- + 4H4SiO4 + 2H+
+        log_k           -48.314
+Phillipsite         54
+        Na0.5K0.5AlSi3O8:H2O + 7H2O = 0.5Na+ +0.5K+ + Al(OH)4- + 3H4SiO4
+        log_k           -19.874
+Nahcolite           58
+        NaHCO3 = Na+ + HCO3-
+        log_k           -0.548
+        delta_h 3.720 kcal
+Trona               59
+        NaHCO3:Na2CO3:2H2O = 2H2O + 3Na+ + CO3-2 + HCO3-
+        log_k           -0.795
+        delta_h -18.0 kcal
+Natron              60
+        Na2CO3:10H2O = 2Na+ + CO3-2 + 10H2O
+        log_k           -1.311
+        delta_h 15.745 kcal
+Thermonatrite       61
+        Na2CO3:H2O = 2Na+ + CO3-2 + H2O
+        log_k           0.125
+        delta_h -2.802 kcal
+Fluorite            62
+        CaF2 = Ca+2 + 2F-
+        log_k           -10.6
+        delta_h 4.69 kcal
+        -analytical     66.348  0.0     -4298.2         -25.271         0.0
+Montmorillonite-Ca     63
+        Ca0.165Al2.33Si3.67O10(OH)2 + 12H2O = 0.165Ca+2 + 2.33Al(OH)4- + 3.67H4SiO4 + 2H+
+        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 = 2Na+ + SO4-2
+        log_k           -0.179
+        delta_h -0.572 kcal
+Mirabilite          66
+        Na2SO4:10H2O = 2Na+ + SO4-2 + 10H2O
+        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 + 4H+ = 5Ca+2 + 3HPO4-2 + H2O
+        log_k           -3.421
+        delta_h -36.155 kcal
+Fluorapatite        96
+        Ca5(PO4)3F + 3H+ = 5Ca+2 + 3HPO4-2 + F-
+        log_k           -17.6
+        delta_h -20.070 kcal
+Chalcedony          97
+        SiO2 + 2H2O = H4SiO4
+        log_k           -3.55
+        delta_h 4.72 kcal
+        -analytical     -0.09   0.0     -1032.0         0.0     0.0
+Magadiite           98
+        NaSi7O13(OH)3:3H2O + H+ + 9H2O = Na+ + 7H4SiO4
+        log_k           -14.3
+Cristobalite        99
+        SiO2 + 2H2O = H4SiO4
+        log_k           -3.587
+        delta_h 5.5 kcal
+Silicagel           100
+        SiO2 + 2H2O = H4SiO4
+        log_k           -3.018
+        delta_h 4.440 kcal
+Quartz              101
+        SiO2 + 2H2O = H4SiO4
+        log_k           -3.98
+        delta_h 5.99 kcal
+        -analytical     0.41    0.0     -1309.0         0.0     0.0
+Vivianite           106
+        Fe3(PO4)2:8H2O = 3Fe+2 + 2PO4-3 + 8H2O
+        log_k           -36.0
+Magnetite           107
+        Fe3O4 + 8H+ = 2Fe+3 + Fe+2 + 4H2O
+        log_k           3.737
+        delta_h -50.460 kcal
+Hematite            108
+        Fe2O3 + 6H+ = 2Fe+3 + 3H2O
+        log_k           -4.008
+        delta_h -30.845 kcal
+Maghemite           109
+        Fe2O3 + 6H+ = 2Fe+3 + 3H2O
+        log_k           6.386
+Goethite            110
+        FeOOH + 3H+ = Fe+3 + 2H2O
+        log_k           -1.0
+        delta_h         -14.48 kcal
+Greenalite          111
+        Fe3Si2O5(OH)4 + 6H+ = 3Fe+2 + 2 H4SiO4 + H2O
+        log_k           20.810
+Fe(OH)3(a)          112
+        Fe(OH)3 + 3H+ = Fe+3 + 3H2O
+        log_k           4.891
+Annite              113
+        KFe3AlSi3O10(OH)2 + 10H2O = K+ + 3Fe+2 + Al(OH)4- + 3H4SiO4 + 6OH-
+        log_k           -85.645
+        delta_h 62.480 kcal
+Pyrite              114
+        FeS2 + 2H+ + 2e- = Fe+2 + 2HS-
+        log_k           -18.479
+        delta_h 11.3 kcal
+Montmorillonite-BelleFourche    115
+        (HNaK)0.09Mg0.29Fe0.24Al1.57Si3.93O10(OH)2 + 10H2O = 0.09H+ + 0.09Na+ + 0.09K+ + 0.29Mg+2 + 0.24Fe+3 + 1.57Al(OH)4- + 3.93H4SiO4
+        log_k           -34.913
+Montmorillonite-Aberdeen        116
+        (HNaK)0.14Mg0.45Fe0.33Al1.47Si3.82O10(OH)2 + 9.16H2O + 0.84H+ = 0.14H+ + 0.14Na+ + 0.14K+ + 0.45Mg+2 + 0.33Fe+3 + 1.47Al(OH)4- + 3.82H4SiO4
+        log_k           -29.688
+Huntite             117
+        CaMg3(CO3)4 = 3Mg+2 + Ca+2 + 4CO3-2
+        log_k           -29.968
+        delta_h -25.760 kcal
+Greigite            118
+        Fe3S4 + 4H+ = 2Fe+3 + Fe+2 + 4HS-
+        log_k           -45.035
+FeS(ppt)              119
+        FeS + H+ = Fe+2 + HS-
+        log_k           -3.915
+Chlorite7A          125
+        Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 +3H4SiO4 + 6H2O
+        log_k           71.752
+        delta_h -155.261 kcal
+Laumontite          128
+        CaAl2Si4O12:4H2O + 8H2O = Ca+2 + 2Al(OH)4- + 4H4SiO4
+        log_k           -30.960
+        delta_h 39.610 kcal
+Jarosite(ss)        133
+        (K0.77Na0.03H0.2)Fe3(SO4)2(OH)6 + 5.8H+ = 0.77K+ + 0.03Na+ + 3Fe+3 + 2SO4-2 + 6H2O
+        log_k           -9.83   # WATEQ4F, Alpers and others, 1989
+Mn2(SO4)3           134
+        Mn2(SO4)3 = 2Mn+3 + 3SO4-2
+        log_k           -5.711
+        delta_h -39.060 kcal
+Al(OH)3(a)          140
+        Al(OH)3 + 3H+ = Al+3 + 3H2O
+        log_k           10.8
+        delta_h -26.5 kcal
+Prehnite            141
+        Ca2Al2Si3O10(OH)2 + 8H2O + 2H+ = 2Ca+2 + 2Al(OH)4- + 3H4SiO4
+        log_k           -11.695
+        delta_h 10.390 kcal
+Strontianite        142
+        SrCO3 = Sr+2 + CO3-2
+        log_k           -9.271
+        delta_h -0.4 kcal
+        -analytical     155.0305        0.0     -7239.594       -56.58638       0.0
+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         0.0     -7680.41        -48.595         0.0
+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       0.0
+Strengite           146
+        FePO4:2H2O = Fe+3 + PO4-3 + 2H2O
+        log_k           -26.4
+        delta_h -2.030 kcal
+Leonhardite         147
+        Ca2Al4Si8O24:7H2O + 17H2O = 2Ca+2 + 4Al(OH)4- + 8H4SiO4
+        log_k           -69.756
+        delta_h 90.070 kcal
+Nesquehonite        149
+        MgCO3:3H2O = Mg+2 + CO3-2 + 3H2O
+        log_k           -5.621
+        delta_h -5.789 kcal
+Artinite            150
+        MgCO3:Mg(OH)2:3H2O + 2H+ = 2Mg+2 + CO3-2 + 5H2O
+        log_k           9.6
+        delta_h -28.742 kcal
+Sepiolite(d)        153
+        Mg2Si3O7.5OH:3H2O+0.5H2O+4H+=2Mg+2 +3H4SiO4
+        log_k           18.66
+Diaspore            154
+        AlOOH + 3H+ = Al+3 + 2H2O
+        log_k           6.879
+        delta_h -24.681 kcal
+Wairakite           155
+        CaAl2Si4O12:2H2O + 10H2O = Ca+2 + 2Al(OH)4- + 4H4SiO4
+        log_k           -26.708
+        delta_h 26.140 kcal
+Fe(OH)2.7Cl.3       181
+        Fe(OH)2.7Cl0.3 + 2.7H+ = Fe+3 + 2.7H2O + 0.3 Cl-
+        log_k           -3.040
+MnSO4               182
+        MnSO4 = Mn+2 + SO4-2
+        log_k           2.669
+        delta_h -15.480 kcal
+Pyrolusite          183
+        MnO2 + 4H+ + 2e- = Mn+2 + 2H2O
+        log_k           41.38
+        delta_h -65.11 kcal
+Birnessite          184
+        MnO2 + 4H+ + 2e- = Mn+2 + 2H2O
+        log_k           43.601
+Nsutite             185
+        MnO2 + 4H+ + 2e- = Mn+2 + 2H2O
+        log_k           42.564
+Bixbyite            186
+        Mn2O3 + 6H+ = 2Mn+3 + 3H2O
+        log_k           -0.611
+        delta_h -15.245 kcal
+Hausmannite         187
+        Mn3O4 + 8H+ + 2e- = 3Mn+2 + 4H2O
+        log_k           61.03
+        delta_h -100.64 kcal
+Pyrochroite         188
+        Mn(OH)2 + 2H+ = Mn+2 + 2H2O
+        log_k           15.2
+Manganite           189
+        MnOOH + 3H+ + e- = Mn+2 + 2H2O
+        log_k           25.340
+Rhodochrosite(d)    190
+        MnCO3 = Mn+2 + CO3-2
+        log_k           -10.390
+MnCl2:4H2O          191
+        MnCl2:4H2O = Mn+2 + 2Cl- + 4H2O
+        log_k           2.710
+        delta_h 17.380 kcal
+MnS(Green)          192
+        MnS + H+ = Mn+2 + HS-
+        log_k           3.8
+        delta_h -5.790 kcal
+Mn3(PO4)2           193
+        Mn3(PO4)2 = 3Mn+2 + 2PO4-3
+        log_k           -23.827
+        delta_h 2.120 kcal
+MnHPO4              194
+        MnHPO4 = Mn+2 + HPO4-2
+        log_k           -12.947
+Jarosite-Na         204
+        NaFe3(SO4)2(OH)6 + 6H+ = Na+ + 3Fe+3 + 2SO4-2 + 6H2O
+        log_k           -5.280
+        delta_h -36.180 kcal
+Jarosite-K          205
+        KFe3(SO4)2(OH)6 + 6H+ = K+ + 3Fe+3 + 2SO4-2 + 6H2O
+        log_k           -9.21
+        delta_h -31.28 kcal
+CuMetal             223
+        Cu = Cu+ + e-
+        log_k           -8.760
+        delta_h 17.130 kcal
+Nantokite           224
+        CuCl = Cu+ + Cl-
+        log_k           -6.760
+        delta_h 9.980 kcal
+CuF                 225
+        CuF = Cu+ + F-
+        log_k           7.080
+        delta_h -12.370 kcal
+Cuprite             226
+        Cu2O + 2H+ = 2Cu+ + H2O
+        log_k           -1.550
+        delta_h 6.245 kcal
+Chalcocite          227
+        Cu2S + H+ = 2Cu+ + HS-
+        log_k           -34.619
+        delta_h 49.350 kcal
+Cu2SO4              228
+        Cu2SO4 = 2Cu+ + SO4-2
+        log_k           -1.950
+        delta_h -4.560 kcal
+CuprousFerrite      229
+        CuFeO2 + 4H+ = Cu+ + Fe+3 + 2H2O
+        log_k           -8.920
+        delta_h -3.8 kcal
+Melanothallite      230
+        CuCl2 = Cu+2 + 2Cl-
+        log_k           3.730
+        delta_h -12.320 kcal
+CuCO3               231
+        CuCO3 = Cu+2 + CO3-2
+        log_k           -9.630
+CuF2                232
+        CuF2 = Cu+2 + 2F-
+        log_k           -0.620
+        delta_h -13.320 kcal
+CuF2:2H2O           233
+        CuF2:2H2O = Cu+2 + 2F- + 2H2O
+        log_k           -4.550
+        delta_h -3.650 kcal
+Cu(OH)2             234
+        Cu(OH)2 + 2H+ = Cu+2 + 2H2O
+        log_k           8.640
+        delta_h -15.250 kcal
+Malachite           235
+        Cu2(OH)2CO3 + 3H+ = 2Cu+2 + 2H2O + HCO3-
+        log_k           5.150
+        delta_h -19.760 kcal
+Azurite             236
+        Cu3(OH)2(CO3)2 + 4H+ = 3Cu+2 + 2H2O + 2HCO3-
+        log_k           3.750
+        delta_h -30.870 kcal
+Atacamite           237
+        Cu2(OH)3Cl + 3H+ = 2Cu+2 + 3H2O + Cl-
+        log_k           7.340
+        delta_h -18.690 kcal
+Cu2(OH)3NO3         238
+        Cu2(OH)3NO3 + 3H+ = 2Cu+2 + 3H2O + NO3-
+        log_k           9.240
+        delta_h -17.350 kcal
+Antlerite           239
+        Cu3(OH)4SO4 + 4H+ = 3Cu+2 + 4H2O + SO4-2
+        log_k           8.290
+Brochantite         240
+        Cu4(OH)6SO4 + 6H+ = 4Cu+2 + 6H2O + SO4-2
+        log_k           15.340
+Langite             241
+        Cu4(OH)6SO4:H2O + 6H+ = 4Cu+2 + 7H2O + SO4-2
+        log_k           16.790
+        delta_h -39.610 kcal
+Tenorite            242
+        CuO + 2H+ = Cu+2 + H2O
+        log_k           7.620
+        delta_h -15.240 kcal
+CuOCuSO4            243
+        CuO:CuSO4 + 2H+ = 2Cu+2 + H2O + SO4-2
+        log_k           11.530
+        delta_h -35.575 kcal
+Cu3(PO4)2           244
+        Cu3(PO4)2 = 3Cu+2 + 2PO4-3
+        log_k           -36.850
+Cu3(PO4)2:3H2O      245
+        Cu3(PO4)2:3H2O = 3Cu+2 + 2PO4-3 + 3H2O
+        log_k           -35.120
+Covellite           246
+        CuS + H+ = Cu+2 + HS-
+        log_k           -22.270
+        delta_h 24.010 kcal
+CuSO4               247
+        CuSO4 = Cu+2 + SO4-2
+        log_k           3.010
+        delta_h -18.140 kcal
+Chalcanthite        248
+        CuSO4:5H2O = Cu+2 + SO4-2 + 5H2O
+        log_k           -2.640
+        delta_h 1.440 kcal
+CupricFerrite       249
+        CuFe2O4 + 8H+ = Cu+2 + 2Fe+3 + 4H2O
+        log_k           5.880
+        delta_h -38.690 kcal
+Chalcopyrite        250
+        CuFeS2 + 2H+ = Cu+2 + Fe+2 + 2HS-
+        log_k           -35.270
+        delta_h 35.480 kcal
+ZnMetal             265
+        Zn = Zn+2 + 2e-
+        log_k           25.757
+        delta_h -36.780 kcal
+Zn(BO2)2            266
+        Zn(BO2)2 + 2H2O + 2H+ = Zn+2 + 2H3BO3
+        log_k           8.290
+ZnCl2               267
+        ZnCl2 = Zn+2 + 2Cl-
+        log_k           7.030
+        delta_h -17.480 kcal
+Smithsonite         268
+        ZnCO3 = Zn+2 + CO3-2
+        log_k           -10.0
+        delta_h -4.36 kcal
+ZnCO3:H2O           269
+        ZnCO3:H2O = Zn+2 + CO3-2 + H2O
+        log_k           -10.260
+ZnF2                270
+        ZnF2 = Zn+2 + 2F-
+        log_k           -1.520
+        delta_h -13.080 kcal
+Zn(OH)2-a          271
+        Zn(OH)2 + 2H+ = Zn+2 + 2H2O
+        log_k           12.450
+Zn(OH)2-c          272
+        Zn(OH)2 + 2H+ = Zn+2 + 2H2O
+        log_k           12.2
+Zn(OH)2-b          273
+        Zn(OH)2 + 2H+ = Zn+2 + 2H2O
+        log_k           11.750
+Zn(OH)2-g          274
+        Zn(OH)2 + 2H+ = Zn+2 + 2H2O
+        log_k           11.710
+Zn(OH)2-e          275
+        Zn(OH)2 + 2H+ = Zn+2 + 2H2O
+        log_k           11.5
+Zn2(OH)3Cl          276
+        Zn2(OH)3Cl + 3H+= 2Zn+2 + 3H2O + Cl-
+        log_k           15.2
+Zn5(OH)8Cl2         277
+        Zn5(OH)8Cl2 + 8H+ = 5Zn+2 + 8H2O + 2Cl-
+        log_k           38.5
+Zn2(OH)2SO4         278
+        Zn2(OH)2SO4 + 2H+ = 2Zn+2 + 2H2O + SO4-2
+        log_k           7.5
+Zn4(OH)6SO4         279
+        Zn4(OH)6SO4 + 6H+ = 4Zn+2 + 6H2O + SO4-2
+        log_k           28.4
+Zn(NO3)2:6H2O       280
+        Zn(NO3)2:6H2O = Zn+2 + 2NO3- + 6H2O
+        log_k           3.440
+        delta_h 5.510 kcal
+ZnO(a)              281
+        ZnO + 2H+ = Zn+2 + H2O
+        log_k           11.310
+Zincite(c)          282
+        ZnO + 2H+ = Zn+2 + H2O
+        log_k           11.140
+        delta_h -21.860 kcal
+Zn3O(SO4)2          283
+        ZnO:2ZnSO4 + 2H+ = 3Zn+2 + 2SO4-2 + H2O
+        log_k           19.020
+        delta_h -62.0 kcal
+Zn3(PO4)2:4w        284
+        Zn3(PO4)2:4H2O = 3Zn+2 + 2PO4-3 + 4H2O
+        log_k           -32.040
+ZnS(a)              285
+        ZnS + H+ = Zn+2 + HS-
+        log_k           -9.052
+        delta_h 3.670 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 5.060 kcal
+ZnSiO3              288
+        ZnSiO3 + 2H+ + H2O = Zn+2 + H4SiO4
+        log_k           2.930
+        delta_h -18.270 kcal
+Willemite           289
+        Zn2SiO4 + 4H+ = 2Zn+2 + H4SiO4
+        log_k           15.33
+        delta_h -33.37 kcal
+Zincosite           290
+        ZnSO4 = Zn+2 + SO4-2
+        log_k           3.010
+        delta_h -19.2 kcal
+ZnSO4:H2O           291
+        ZnSO4:H2O = Zn+2 + SO4-2 + H2O
+        log_k           -0.570
+        delta_h -10.640 kcal
+Bianchite           292
+        ZnSO4:6H2O = Zn+2 + SO4-2 + 6H2O
+        log_k           -1.765
+        delta_h -0.160 kcal
+Goslarite           293
+        ZnSO4:7H2O = Zn+2 + SO4-2 + 7H2O
+        log_k           -1.960
+        delta_h 3.3 kcal
+CdMetal             312
+        Cd = Cd+2 + 2e-
+        log_k           13.490
+        delta_h -18.0 kcal
+Cd(gamma)           313
+        Cd = Cd+2 + 2e-
+        log_k           13.590
+        delta_h -18.140 kcal
+Cd(BO2)2            314
+        Cd(BO2)2 + 2H2O + 2H+ = Cd+2 + 2H3BO3
+        log_k           9.840
+Otavite             315
+        CdCO3 = Cd+2 + CO3-2
+        log_k           -12.1
+        delta_h -0.019 kcal
+CdCl2               316
+        CdCl2 = Cd+2 + 2Cl-
+        log_k           -0.68
+        delta_h -4.47 kcal
+CdCl2:H2O           317
+        CdCl2:H2O = Cd+2 + 2Cl- + H2O
+        log_k           -1.71
+        delta_h -1.82 kcal
+CdCl2:2.5H2O        318
+        CdCl2:2.5H2O = Cd+2 + 2Cl- + 2.5H2O
+        log_k           -1.940
+        delta_h 1.710 kcal
+CdF2                319
+        CdF2 = Cd+2 + 2F-
+        log_k           -2.980
+        delta_h -9.720 kcal
+Cd(OH)2(a)          320
+        Cd(OH)2 + 2H+ = Cd+2 + 2H2O
+        log_k           13.730
+        delta_h -20.770 kcal
+Cd(OH)2             321
+        Cd(OH)2 + 2H+ = Cd+2 + 2H2O
+        log_k           13.65
+CdOHCl              322
+        CdOHCl + H+ = Cd+2 + H2O + Cl-
+        log_k           3.520
+        delta_h -7.407 kcal
+Cd3(OH)4SO4         323
+        Cd3(OH)4SO4 + 4H+ = 3Cd+2 + 4H2O + SO4-2
+        log_k           22.560
+Cd3(OH)2(SO4)2      324
+        Cd3(OH)2(SO4)2 + 2H+ = 3Cd+2 + 2H2O + 2SO4-2
+        log_k           6.710
+Cd4(OH)6SO4         325
+        Cd4(OH)6SO4 + 6H+ = 4Cd+2 + 6H2O + SO4-2
+        log_k           28.4
+Monteponite         326
+        CdO + 2H+ = Cd+2 + H2O
+        log_k           13.770
+        delta_h -24.760 kcal
+Cd3(PO4)2           327
+        Cd3(PO4)2 = 3Cd+2 + 2PO4-3
+        log_k           -32.6
+CdSiO3              328
+        CdSiO3 + H2O + 2H+ = 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 -7.520 kcal
+CdSO4:2.7H2O        331
+        CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67H2O
+        log_k           -1.873
+        delta_h -4.3 kcal
+Greenockite         332
+        CdS + H+ = Cd+2 + HS-
+        log_k           -15.930
+        delta_h 16.360 kcal
+JarositeH           337
+        (H3O)Fe3(SO4)2(OH)6 + 5H+ = 3Fe+3 + 2SO4-2 + 7H2O
+        log_k           -5.390
+        delta_h -55.150 kcal
+AlumK               338
+        KAl(SO4)2:12H2O = K+ + Al+3 + 2SO4-2 + 12H2O
+        log_k           -5.170
+        delta_h 7.220 kcal
+Melanterite         339
+        FeSO4:7H2O = Fe+2 + SO4-2 + 7H2O
+        log_k           -2.209
+        delta_h 4.91 kcal
+        -analytical     1.447   -0.004153       0.0     0.0     -214949.0
+Epsomite            340
+        MgSO4:7H2O = Mg+2 + SO4-2 + 7H2O
+        log_k           -2.140
+        delta_h 2.820 kcal
+PbMetal             360
+        Pb = Pb+2 + 2e-
+        log_k           4.270
+        delta_h 0.4 kcal
+Pb(BO2)2            361
+        Pb(BO2)2 + 2H2O + 2H+ = Pb+2 + 2H3BO3
+        log_k           7.610
+        delta_h -5.8 kcal
+Cotunnite           362
+        PbCl2 = Pb+2 + 2Cl-
+        log_k           -4.770
+        delta_h 5.6 kcal
+Matlockite          363
+        PbClF = Pb+2 + Cl- + F-
+        log_k           -9.430
+        delta_h 7.950 kcal
+Phosgenite          364
+        PbCl2:PbCO3 = 2Pb+2 + 2Cl- + CO3-2
+        log_k           -19.810
+Cerrusite           365
+        PbCO3 = Pb+2 + CO3-2
+        log_k           -13.13
+        delta_h 4.86 kcal
+PbF2                366
+        PbF2 = Pb+2 + 2F-
+        log_k           -7.440
+        delta_h -0.7 kcal
+Massicot            367
+        PbO + 2H+ = Pb+2 + H2O
+        log_k           12.910
+        delta_h -16.780 kcal
+Litharge            368
+        PbO + 2H+ = Pb+2 + H2O
+        log_k           12.720
+        delta_h -16.380 kcal
+PbO:0.3H2O          369
+        PbO:0.33H2O + 2H+ = Pb+2 + 1.33H2O
+        log_k           12.980
+Pb2OCO3             370
+        PbO:PbCO3 + 2H+ = 2Pb+2 + CO3-2 + H2O
+        log_k           -0.5
+        delta_h -11.460 kcal
+Larnakite           371
+        PbO:PbSO4 + 2H+ = 2Pb+2 + SO4-2 + H2O
+        log_k           -0.280
+        delta_h -6.440 kcal
+Pb3O2SO4            372
+        PbSO4:2PbO + 4H+ = 3Pb+2 + SO4-2 + 2H2O
+        log_k           10.4
+        delta_h -20.750 kcal
+Pb4O3SO4            373
+        PbSO4:3PbO + 6H+ = 4Pb+2 + SO4-2 + 3H2O
+        log_k           22.1
+        delta_h -35.070 kcal
+PbHPO4              374
+        PbHPO4 = Pb+2 + HPO4-2
+        log_k           -11.460
+        delta_h 7.040 kcal
+Pb3(PO4)2           375
+        Pb3(PO4)2 + 2H+ = 3Pb+2 + 2HPO4-2
+        log_k           -19.670
+        delta_h -1.670 kcal
+Clpyromorphite      376
+        Pb5(PO4)3Cl = 5Pb+2 + 3PO4-3 + Cl-
+        log_k           -84.430
+Hxypyromorphite     377
+        Pb5(PO4)3OH + H+ = 5Pb+2 + 3PO4-3 + H2O
+        log_k           -62.790
+Pb3O2CO3            378
+        PbCO3:2PbO + 4H+ = 3Pb+2 + CO3-2 + 2H2O
+        log_k           11.020
+        delta_h -26.430 kcal
+Plumbogummite       379
+        PbAl3(PO4)2(OH)5:H2O + 5H+ = Pb+2 + 3Al+3 + 2PO4-3 + 6H2O
+        log_k           -32.790
+Hinsdalite          380
+        PbAl3PO4SO4(OH)6 + 6H+ = Pb+2 + 3Al+3 + PO4-3 + SO4-2 + 6H2O
+        log_k           -2.5
+Tsumebite           381
+        Pb2CuPO4(OH)3:3H2O + 3H+ = 2Pb+2 + Cu+2 + PO4-3 + 6H2O
+        log_k           -9.790
+PbSiO3              382
+        PbSiO3 + H2O + 2H+ = Pb+2 + H4SiO4
+        log_k           7.320
+        delta_h -9.260 kcal
+Pb2SiO4             383
+        Pb2SiO4 + 4H+ = 2Pb+2 + H4SiO4
+        log_k           19.760
+        delta_h -26.0 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           -12.780
+        delta_h 19.4 kcal
+Plattnerite         386
+        PbO2 + 4H+ + 2e- = Pb+2 + 2H2O
+        log_k           49.3
+        delta_h -70.730 kcal
+Pb2O3               387
+        Pb2O3 + 6H+ + 2e- = 2Pb+2 + 3H2O
+        log_k           61.040
+Minium              388
+        Pb3O4 + 8H+ + 2e- = 3Pb+2 + 4H2O
+        log_k           73.690
+        delta_h -102.760 kcal
+Pb(OH)2             389
+        Pb(OH)2 + 2H+ = Pb+2 + 2H2O
+        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 + 3H+ = 2Pb+2 + 3H2O + Cl-
+        log_k           8.793
+Hydrocerrusite      392
+        Pb(OH)2:2PbCO3 + 2H+ = 3Pb+2 + 2CO3-2 + 2H2O
+        log_k           -17.460
+Pb2O(OH)2           393
+        PbO:Pb(OH)2 + 4H+ = 2Pb+2 + 3H2O
+        log_k           26.2
+Pb4(OH)6SO4         394
+        Pb4(OH)6SO4 + 6H+ = 4Pb+2 + SO4-2 + 6H2O
+        log_k           21.1
+SiO2(a)             395
+        SiO2 + 2H2O = H4SiO4
+        log_k           -2.71
+        delta_h 3.34 kcal
+        -analytical     -0.26   0.0     -731.0  0.0     0.0
+FCO3Apatite         396
+        Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316Ca+2 + 0.36Na+ + 0.144Mg+2 + 4.8PO4-3 + 1.2CO3-2 + 2.48F-
+        log_k           -114.4
+        delta_h 39.390 kcal
+BaF2                398
+        BaF2 = Ba+2 + 2F-
+        log_k           -5.760
+        delta_h 1.0 kcal
+SrF2                399
+        SrF2 = Sr+2 + 2F-
+        log_k           -8.540
+        delta_h 1.250 kcal
+Dolomite            401
+        CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2
+        log_k           -17.09
+        delta_h -9.436 kcal
+Sulfur              402
+        S + 2e- = S-2
+        log_k           -15.026
+        delta_h 7.9 kcal
+NiCO3               410
+        NiCO3 = Ni+2 + CO3-2
+        log_k           -6.840
+        delta_h -9.940 kcal
+Ni(OH)2             411
+        Ni(OH)2 + 2H+ = Ni+2 + 2H2O
+        log_k           10.8
+        delta_h 30.450 kcal
+Ni4(OH)6SO4         412
+        Ni4(OH)6SO4 + 6H+ = 4Ni+2 + SO4-2 + 6H2O
+        log_k           32.0
+Bunsenite           413
+        NiO + 2H+ = Ni+2 + H2O
+        log_k           12.450
+        delta_h -23.920 kcal
+Ni3(PO4)2           414
+        Ni3(PO4)2 = 3Ni+2 + 2PO4-3
+        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 + 6H2O
+        log_k           -2.040
+        delta_h 1.1 kcal
+Morenosite          417
+        NiSO4:7H2O = Ni+2 + SO4-2 + 7H2O
+        log_k           -2.360
+        delta_h 2.940 kcal
+Ni2SiO4             418
+        Ni2SiO4 + 4H+ = 2Ni+2 + H4SiO4
+        log_k           14.540
+        delta_h -33.360 kcal
+Fe3(OH)8            419
+        Fe3(OH)8 + 8H+ = 2Fe+3 + Fe+2 + 8H2O
+        log_k           20.222
+Dioptase            420
+        CuSiO3:H2O + 2H+ = Cu+2 + H4SiO4
+        log_k           6.5
+        delta_h -8.960 kcal
+AgMetal             437
+        Ag = Ag+ + e-
+        log_k           -13.510
+        delta_h 25.234 kcal
+Bromyrite           438
+        AgBr = Ag+ + Br-
+        log_k           -12.270
+        delta_h 20.170 kcal
+Cerargyrite         439
+        AgCl = Ag+ + Cl-
+        log_k           -9.750
+        delta_h 15.652 kcal
+Ag2CO3              440
+        Ag2CO3 = 2Ag+ + CO3-2
+        log_k           -11.070
+        delta_h 9.530 kcal
+AgF:4H2O            441
+        AgF:4H2O = Ag+ + F- + 4H2O
+        log_k           0.550
+        delta_h 4.270 kcal
+Iodyrite            442
+        AgI = Ag+ + I-
+        log_k           -16.070
+        delta_h 26.820 kcal
+Ag2O                443
+        Ag2O + 2H+ = 2Ag+ + H2O
+        log_k           12.580
+        delta_h -10.430 kcal
+Ag3PO4              444
+        Ag3PO4 = 3Ag+ + PO4-3
+        log_k           -17.550
+Acanthite           445
+        Ag2S + H+ = 2Ag+ + HS-
+        log_k           -36.050
+        delta_h 53.3 kcal
+Ag2SO4              446
+        Ag2SO4 = 2Ag+ + SO4-2
+        log_k           -4.920
+        delta_h 4.250 kcal
+CuBr                459
+        CuBr = Cu+ + Br-
+        log_k           -8.210
+        delta_h 13.080 kcal
+CuI                 460
+        CuI = Cu+ + I-
+        log_k           -11.890
+        delta_h 20.140 kcal
+ZnBr2:2H2O          461
+        ZnBr2:2H2O = Zn+2 + 2Br- + 2H2O
+        log_k           5.210
+        delta_h -7.510 kcal
+ZnI2                462
+        ZnI2 = Zn+2 + 2I-
+        log_k           7.230
+        delta_h -13.440 kcal
+CdBr2:4H2O          463
+        CdBr2:4H2O = Cd+2 + 2Br- + 4H2O
+        log_k           -2.420
+        delta_h 7.230 kcal
+CdI2                464
+        CdI2 = Cd+2 + 2I-
+        log_k           -3.610
+        delta_h 4.080 kcal
+PbBr2               465
+        PbBr2 = Pb+2 + 2Br-
+        log_k           -5.180
+        delta_h 8.1 kcal
+PbBrF               466
+        PbBrF = Pb+2 + Br- + F-
+        log_k           -8.490
+PbI2                467
+        PbI2 = Pb+2 + 2I-
+        log_k           -8.070
+        delta_h 15.160 kcal
+Jurbanite           471
+        AlOHSO4 + H+ = Al+3 + SO4-2 + H2O
+        log_k           -3.230
+Basaluminite		472
+        Al4(OH)10SO4 + 10H+ = 4Al+3 + SO4-2 + 10H2O
+        log_k           22.7
+As_native		557
+        As + 3H2O = H3AsO3 + 3H+ + 3e-
+	log_k		-12.532
+	delta_h		115.131 kJ
+As2O5(cr)             488
+        As2O5 + 3H2O = 2H3AsO4
+        log_k           8.228
+        delta_h 	-31.619 kJ
+AlAsO4:2H2O         489
+        AlAsO4:2H2O = Al+3 + AsO4-3 + 2H2O
+        log_k           -15.837
+Ca3(AsO4)2:4w       490
+        Ca3(AsO4)2:4H2O = 3Ca+2 + 2AsO4-3 + 4H2O
+        log_k           -18.905
+Cu3(AsO4)2:6w       491
+        Cu3(AsO4)2:6H2O = 3Cu+2 + 2AsO4-3 + 6H2O
+        log_k           -35.123
+Scorodite           492
+        FeAsO4:2H2O = Fe+3 + AsO4-3 + 2H2O
+        log_k           -20.249
+Mn3(AsO4)2:8H2O      493
+        Mn3(AsO4)2:8H2O = 3Mn+2 + 2AsO4-3 + 8H2O
+        log_k           -28.707
+Ni3(AsO4)2:8H2O     494
+        Ni3(AsO4)2:8H2O = 3Ni+2 + 2AsO4-3 + 8H2O
+        log_k           -25.511
+Pb3(AsO4)2          495
+        Pb3(AsO4)2 = 3Pb+2 + 2AsO4-3
+        log_k           -35.403
+Zn3(AsO4)2:2.5w     496
+        Zn3(AsO4)2:2.5H2O = 3Zn+2 + 2AsO4-3 + 2.5H2O
+        log_k           -27.546
+Arsenolite          497
+#        As4O6 + 6H2O = 4H3AsO3
+#        log_k           -2.801
+#        delta_h 14.330 kcal
+	As2O3 + 3H2O = 2H3AsO3
+	log_k	-1.38
+	delta_h	30.041 kJ
+Claudetite          498
+#        As4O6 + 6H2O = 4H3AsO3
+#        log_k           -3.065
+#        delta_h 13.290 kcal
+	As2O3 + 3H2O = 2H3AsO3
+	log_k	-1.34
+	delta_h	28.443 kJ
+AsI3                499
+        AsI3 + 3H2O = H3AsO3 + 3I- + 3H+
+        log_k           4.155
+        delta_h 1.875 kcal
+Orpiment            500
+        As2S3 + 6H2O = 2H3AsO3 + 3HS- + 3H+
+#        log_k           -60.971
+#        delta_h 82.890 kcal
+	log_k	-46.3
+	delta_h	263.1 kJ
+As2S3(am)		132
+        As2S3 + 6H2O = 2H3AsO3 + 3HS- + 3H+
+	log_k	-44.9
+	delta_h	244.2 kJ
+Realgar             501
+        AsS + 3H2O = H3AsO3 + HS- + 2H+ + 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+ = 0.9Cu+2 + 0.2Cu+ + HS-
+        log_k           -24.162
+BlaubleiII          534
+        Cu0.6Cu0.8S + H+ = 0.6Cu+2 + 0.8Cu+ + HS-
+        log_k           -27.279
+Anilite             535
+        Cu0.25Cu1.5S + H+ = 0.25Cu+2 + 1.5Cu+ + HS-
+        log_k           -31.878
+        delta_h 43.535 kcal
+Djurleite           536
+        Cu0.066Cu1.868S + H+ = 0.066Cu+2 + 1.868Cu+ + HS-
+        log_k           -33.920
+        delta_h 47.881 kcal
+Portlandite         539
+        Ca(OH)2 + 2H+ = Ca+2 + 2H2O
+        log_k           22.8
+        delta_h -31.0 kcal
+Ba3(AsO4)2          541
+        Ba3(AsO4)2 = 3Ba+2 + 2AsO4-3
+        log_k           -50.110
+        delta_h 9.5 kcal
+Se(s)               550
+        Se + H+ + 2e- = HSe-
+        log_k           -17.322
+#SemetalSe4          551
+#       Se + 3H2O = SeO3-2 + 6H+ + 4e-
+#       log_k           -59.836
+FeSe2               552
+        FeSe2 + 2H+ + 2e- = Fe+2 + 2HSe-
+        log_k           -18.580
+SeO2                553
+        SeO2 + H2O = SeO3-2 + 2H+
+        log_k           -8.380
+CaSeO3              554
+        CaSeO3 = Ca+2 + SeO3-2
+        log_k           -5.6
+BaSeO3              555
+        BaSeO3 = Ba+2 + SeO3-2
+        log_k           -6.390
+Fe2(SeO3)3          556
+        Fe2(SeO3)3 = 2Fe+3 + 3SeO3-2
+        log_k           -35.430
+Rhodochrosite       564
+        MnCO3 = Mn+2 + CO3-2
+        log_k           -11.13
+        delta_h -1.43 kcal
+Na4UO2(CO3)3        571
+        Na4UO2(CO3)3 = 4Na+ + UO2+2 + 3CO3-2
+        log_k           -16.290
+Uraninite(c)        573
+        UO2 + 4H+ = U+4 + 2H2O
+        log_k           -4.8
+        delta_h -18.610 kcal
+UO2(a)              574
+        UO2 + 4H+ = U+4 + 2H2O
+        log_k           0.1
+U4O9(c)             575
+        U4O9 + 18H+ + 2e- = 4U+4 + 9H2O
+        log_k           -3.384
+        delta_h -101.235 kcal
+U3O8(c)             576
+        U3O8 + 16H+ + 4e- = 3U+4 + 8H2O
+        log_k           20.530
+        delta_h -116.0 kcal
+Coffinite           577
+        USiO4 + 4H+ = U+4 + H4SiO4
+        log_k           -7.670
+        delta_h -11.6 kcal
+UF4(c)              584
+        UF4 = U+4 + 4F-
+        log_k           -18.606
+        delta_h -18.9 kcal
+UF4:2.5H2O          585
+        UF4:2.5H2O = U+4 + 4F- + 2.5H2O
+        log_k           -27.570
+        delta_h -0.588 kcal
+U(OH)2SO4           591
+        U(OH)2SO4 + 2H+ = U+4 + SO4-2 + 2H2O
+        log_k           -3.2
+UO2HPO4:4H2O        592
+        UO2HPO4:4H2O = UO2+2 + HPO4-2 + 4H2O
+        log_k           -11.850
+U(HPO4)2:4H2O       593
+        U(HPO4)2:4H2O = U+4 + 2PO4-3 + 2H+ + 4H2O
+        log_k           -55.3
+        delta_h 3.840 kcal
+Ningyoite           594
+        CaU(PO4)2:2H2O = U+4 + Ca+2 + 2PO4-3 + 2H2O
+        log_k           -53.906
+        delta_h -2.270 kcal
+UO3(gamma)              599
+        UO3 + 2H+ = UO2+2 + H2O
+        log_k           7.719
+        delta_h -19.315 kcal
+Gummite             600
+        UO3 + 2H+ = UO2+2 + H2O
+        log_k           10.403
+        delta_h -23.015 kcal
+B-UO2(OH)2          601
+        UO2(OH)2 + 2H+ = UO2+2 + 2H2O
+        log_k           5.544
+        delta_h -13.730 kcal
+Schoepite           602
+        UO2(OH)2:H2O + 2H+ = UO2+2 + 3H2O
+        log_k           5.404
+        delta_h -12.045 kcal
+Rutherfordine       606
+        UO2CO3 = UO2+2 + CO3-2
+        log_k           -14.450
+        delta_h -1.440 kcal
+(UO2)3(PO4)2:4w     619
+        (UO2)3(PO4)2:4H2O = 3UO2+2 + 2PO4-3 + 4H2O
+        log_k           -37.4
+        delta_h 41.5 kcal
+H-Autunite          620
+        H2(UO2)2(PO4)2 = 2H+ + 2UO2+2 + 2PO4-3
+        log_k           -47.931
+        delta_h -3.6 kcal
+Na-Autunite         621
+        Na2(UO2)2(PO4)2 = 2Na+ + 2UO2+2 + 2PO4-3
+        log_k           -47.409
+        delta_h -0.460 kcal
+K-Autunite          622
+        K2(UO2)2(PO4)2 = 2K+ + 2UO2+2 + 2PO4-3
+        log_k           -48.244
+        delta_h 5.860 kcal
+Uramphite           623
+        (NH4)2(UO2)2(PO4)2 = 2NH4+ + 2UO2+2 + 2PO4-3
+        log_k           -51.749
+        delta_h 9.7 kcal
+Saleeite            624
+        Mg(UO2)2(PO4)2 = Mg+2 + 2UO2+2 + 2PO4-3
+        log_k           -43.646
+        delta_h -20.180 kcal
+Autunite            625
+        Ca(UO2)2(PO4)2 = Ca+2 + 2UO2+2 + 2PO4-3
+        log_k           -43.927
+        delta_h -14.340 kcal
+Sr-Autunite         626
+        Sr(UO2)2(PO4)2 = Sr+2 + 2UO2+2 + 2PO4-3
+        log_k           -44.457
+        delta_h -13.050 kcal
+Uranocircite        627
+        Ba(UO2)2(PO4)2 = Ba+2 + 2UO2+2 + 2PO4-3
+        log_k           -44.631
+        delta_h -10.1 kcal
+Bassetite           628
+        Fe(UO2)2(PO4)2 = Fe+2 + 2UO2+2 + 2PO4-3
+        log_k           -44.485
+        delta_h -19.9 kcal
+Torbernite          629
+        Cu(UO2)2(PO4)2 = Cu+2 + 2UO2+2 + 2PO4-3
+        log_k           -45.279
+        delta_h -15.9 kcal
+Przhevalskite       630
+        Pb(UO2)2(PO4)2 = Pb+2 + 2UO2+2 + 2PO4-3
+        log_k           -44.365
+        delta_h -11.0 kcal
+Uranophane          632
+        Ca(UO2)2(SiO3OH)2 + 6H+ = Ca+2 + 2UO2+2 + 2H4SiO4
+        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      669365.0
+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+000 7.8981e-003 0.0000e+000 0.0000e+000 2.0027e+005
+H2(g)
+        H2 = H2
+        log_k           -3.150
+        delta_h -1.759 kcal
+N2(g)
+        N2 = N2
+        log_k           -3.260
+        delta_h -1.358 kcal
+H2S(g)
+        H2S = H2S
+        log_k           -0.997
+        delta_h -4.570 kcal
+CH4(g)
+        CH4 = CH4
+        log_k           -2.860
+        delta_h -3.373 kcal
+NH3(g)
+        NH3 = NH3
+        log_k           1.770
+        delta_h -8.170 kcal
+EXCHANGE_MASTER_SPECIES
+        X       X-
+EXCHANGE_SPECIES
+        X- = X-
+        log_k           0.0
+        Na+ + X- = NaX
+        log_k           0.0
+        K+ + X- = KX
+        log_k           0.7
+        Li+ + X- = LiX
+        log_k           -0.08
+        H+ + X- = HX
+        log_k           1.0
+        NH4+ + X- = NH4X
+        log_k           0.6
+        Ca+2 + 2X- = CaX2
+        log_k           0.8
+        Mg+2 + 2X- = MgX2
+        log_k           0.6
+        Sr+2 + 2X- = SrX2
+        log_k           0.91
+        Ba+2 + 2X- = BaX2
+        log_k           0.91
+        Mn+2 + 2X- = MnX2
+        log_k           0.52
+        Fe+2 + 2X- = FeX2
+        log_k           0.44
+        Cu+2 + 2X- = CuX2
+        log_k           0.6
+        Zn+2 + 2X- = ZnX2
+        log_k           0.8
+        Cd+2 + 2X- = CdX2
+        log_k           0.8
+        Pb+2 + 2X- = PbX2
+        log_k           1.05
+        Al+3 + 3X- = 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  0.0
+        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  0.0
+        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 + 2H+
+        log_k -17.60
+#   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 + 2H+
+         log_k -11.55
+###############################################
+#             ANIONS                          #
+###############################################
+#
+#   Anions from table 10.6
+#
+#   Phosphate
+        Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O
+        log_k   31.29
+        Hfo_wOH + PO4-3 + 2H+ = 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 + 3H+ = Hfo_wH2AsO4 + H2O
+        log_k   29.31
+        Hfo_wOH + AsO4-3 + 2H+ = 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   0.80
+#   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 + 2H+= Hfo_wHCO3 + H2O
+#        log_k   20.62
+RATES
+###########
+#K-feldspar
+###########
+#
+# Sverdrup, H.U., 1990, The kinetics of base cation release due to
+# chemical weathering: Lund University Press, Lund, 246 p.
+#
+# Example of KINETICS data block for K-feldspar rate:
+#       KINETICS 1
+#       K-feldspar
+#               -m0 2.16  # 10% K-fsp, 0.1 mm cubes
+#               -m  1.94
+#               -parms 1.36e4  0.1
+K-feldspar
+ -start
+   1 rem specific rate from Sverdrup, 1990, in kmol/m2/s
+   2 rem parm(1) = 10 * (A/V, 1/dm) (recalc's sp. rate to mol/kgw)
+   3 rem parm(2) = corrects for field rate relative to lab rate
+   4 rem temp corr: from p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/298)
+   10    dif_temp = 1/TK - 1/298
+   20    pk_H = 12.5 + 3134 * dif_temp
+   30    pk_w = 15.3 + 1838 * dif_temp
+   40    pk_OH = 14.2 + 3134 * dif_temp
+   50    pk_CO2 = 14.6 + 1677 * dif_temp
+   #60   pk_org = 13.9 + 1254 * dif_temp  # rate increase with DOC
+   70    rate = 10^-pk_H * ACT("H+")^0.5 + 10^-pk_w + 10^-pk_OH * ACT("OH-")^0.3
+   71    rate = rate + 10^-pk_CO2 * (10^SI("CO2(g)"))^0.6
+   #72   rate = rate + 10^-pk_org * TOT("Doc")^0.4
+   80    moles = parm(1) * parm(2) * rate * (1 - SR("K-feldspar")) * time
+   81 rem decrease rate on precipitation
+   90    if SR("K-feldspar") > 1 then moles = moles * 0.1
+   100   save moles
+ -end
+###########
+#Albite
+###########
+#
+# Sverdrup, H.U., 1990, The kinetics of base cation release due to
+# chemical weathering: Lund University Press, Lund, 246 p.
+#
+# Example of KINETICS data block for Albite rate:
+#       KINETICS 1
+#       Albite
+#               -m0 0.43  # 2% Albite, 0.1 mm cubes
+#               -parms 2.72e3  0.1
+Albite
+ -start
+   1 rem specific rate from Sverdrup, 1990, in kmol/m2/s
+   2 rem parm(1) = 10 * (A/V, 1/dm) (recalc's sp. rate to mol/kgw)
+   3 rem parm(2) = corrects for field rate relative to lab rate
+   4 rem temp corr: from p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/298)
+   10    dif_temp = 1/TK - 1/298
+   20    pk_H = 12.5 + 3359 * dif_temp
+   30    pk_w = 14.8 + 2648 * dif_temp
+   40    pk_OH = 13.7 + 3359 * dif_temp
+   #41 rem         ^12.9 in Sverdrup, but larger than for oligoclase...
+   50    pk_CO2 = 14.0 + 1677 * dif_temp
+   #60   pk_org = 12.5 + 1254 * dif_temp # ...rate increase for DOC
+   70    rate = 10^-pk_H * ACT("H+")^0.5 + 10^-pk_w + 10^-pk_OH * ACT("OH-")^0.3
+   71    rate = rate + 10^-pk_CO2 * (10^SI("CO2(g)"))^0.6
+   #72   rate = rate + 10^-pk_org * TOT("Doc")^0.4
+   80    moles = parm(1) * parm(2) * rate * (1 - SR("Albite")) * time
+   81 rem decrease rate on precipitation
+   90    if SR("Albite") > 1 then moles = moles * 0.1
+   100   save moles
+ -end
+########
+#Calcite
+########
+#
+# Plummer, L.N., Wigley, T.M.L., and Parkhurst, D.L., 1978,
+# American Journal of Science, v. 278, p. 179-216.
+#
+# Example of KINETICS data block for calcite rate:
+#
+#       KINETICS 1
+#       Calcite
+#               -tol    1e-8
+#               -m0     3.e-3
+#               -m      3.e-3
+#               -parms  5.0      0.6
+Calcite
+  -start
+   1 REM        Modified from Plummer and others, 1978
+   2 REM        M = current moles of calcite
+   3 REM        M0 = initial moles of calcite
+   4 REM        parm(1) = Area/Volume, cm^2/L   (or cm^2 per cell)
+   5 REM        parm(2) = exponent for M/M0 for surface area correction
+   10  REM rate = 0 if no calcite and undersaturated
+   20    si_cc = SI("Calcite")
+   30    if (M <= 0  and si_cc < 0) then goto 300
+   40    k1 = 10^(0.198 - 444.0 / TK )
+   50    k2 = 10^(2.84 - 2177.0 / TK )
+   60    if TC <= 25 then k3 = 10^(-5.86 - 317.0 / TK )
+   70    if TC > 25 then k3 = 10^(-1.1 - 1737.0 / TK )
+   80  REM surface area calculation
+   90    t = 1
+   100   if M0 > 0 then t = M/M0
+   110   if t = 0 then t = 1
+   120   area = PARM(1) * (t)^PARM(2)
+   130   rf = k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O")
+   140 REM 1e-3 converts mmol to mol
+   150   rate = area * 1e-3 * rf * (1 - 10^(2/3*si_cc))
+   160   moles = rate * TIME
+   170 REM do not dissolve more calcite than present
+   180   if (moles > M) then moles = M
+   190   if (moles >= 0) then goto 300
+   200 REM do not precipitate more Ca or C(4) than present
+   210   temp = TOT("Ca")
+   220   mc  = TOT("C(4)")
+   230   if mc < temp then temp = mc
+   240   if -moles > temp then moles = -temp
+   300 SAVE moles
+  -end
+#######
+#Pyrite
+#######
+#
+# Williamson, M.A. and Rimstidt, J.D., 1994,
+# Geochimica et Cosmochimica Acta, v. 58, p. 5443-5454.
+#
+# Example of KINETICS data block for pyrite rate:
+#       KINETICS 1
+#       Pyrite
+#               -tol    1e-8
+#               -m0     5.e-4
+#               -m      5.e-4
+#               -parms  2.0     0.67     .5      -0.11
+Pyrite
+  -start
+   1 rem        Williamson and Rimstidt, 1994
+   2 rem        parm(1) = log10(A/V, 1/dm)      parm(2) = exp for (m/m0)
+   3 rem        parm(3) = exp for O2            parm(4) = exp for H+
+   10 if (m <= 0) then goto 200
+   20 if (si("Pyrite") >= 0) then goto 200
+   25  rate = -10.19 + parm(1) + parm(3)*lm("O2") + parm(4)*lm("H+") + parm(2)*log10(m/m0)
+   30  moles = 10^rate * time
+   40 if (moles > m) then moles = m
+   200 save moles
+  -end
+##########
+#Organic_C
+##########
+#
+# Example of KINETICS data block for Organic_C rate:
+#       KINETICS 1
+#       Organic_C
+#               -tol    1e-8
+#              # m in mol/kgw
+#               -m0     5e-3
+#               -m      5e-3
+Organic_C
+ -start
+   1  rem      Additive Monod kinetics
+   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   rate = 1.57e-9*mO2/(2.94e-4 + mO2) + 1.67e-11*mNO3/(1.55e-4 + mNO3)
+   60   rate = rate + 1.e-13*mSO4/(1.e-4 + mSO4)
+   70  moles = rate * m * (m/m0) * time
+   80 if (moles > m) then moles = m
+   200 save moles
+ -end
+###########
+#Pyrolusite
+###########
+#
+# Postma, D. and Appelo, C.A.J., 2000, GCA 64, in press
+#
+# Example of KINETICS data block for Pyrolusite
+#       KINETICS 1-12
+#       Pyrolusite
+#               -tol    1.e-7
+#               -m0     0.1
+#               -m      0.1
+Pyrolusite
+  -start
+   5    if (m <= 0.0) then goto 200
+   7    sr_pl = sr("Pyrolusite")
+   9    if abs(1 - sr_pl) < 0.1 then goto 200
+   10   if (sr_pl > 1.0) then goto 100
+   #20 rem      initially 1 mol Fe+2 = 0.5 mol pyrolusite. k*A/V = 1/time (3 cells)
+   #22 rem       time (3 cells) = 1.432e4.  1/time = 6.98e-5
+   30   Fe_t = tot("Fe(2)")
+   32   if Fe_t < 1.e-8 then goto 200
+   40   moles = 6.98e-5 * Fe_t  * (m/m0)^0.67 * time * (1 - sr_pl)
+   50   if moles > Fe_t / 2 then moles = Fe_t / 2
+   70   if moles > m then moles = m
+   90   goto 200
+   100  Mn_t = tot("Mn")
+   110  moles = 2e-3 * 6.98e-5 * (1-sr_pl) * time
+   120  if moles <= -Mn_t then moles = -Mn_t
+   200  save moles
+  -end
+END