wateq4fhao.dat

#  $Revision: 2.5 $
# 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:H2O + 4H+ + 2e- = Mn+2 + 3H2O
        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:H2O + 8H+ + 2e- = 3Mn+2 + 5H2O
        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):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

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

        Hao_s  Hao_sOH
        Hao_w  Hao_wOH

        Hmo_s  Hmo_sOH
        Hmo_w  Hmo_wOH

        Hmom_s  Hmom_sOH
        Hmom_w  Hmom_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



######################################################################

# Hydrous aluminum oxide, Hao

######################################################################

#
#   strong binding site--Hao_s,

        Hao_sOH = Hao_sOH
        log_k  0.0

        Hao_sOH  + H+ = Hao_sOH2+
        log_k  7.29    # = pKa1,int
        -add_constant 1.0

        Hao_sOH = Hao_sO- + H+
        log_k  -9.93   # = -pKa2,int
        -add_constant 1.0

#   weak binding site--Hao_w

        Hao_wOH = Hao_wOH
        log_k  0.0

        Hao_wOH  + H+ = Hao_wOH2+
        log_k  9.29    # = pKa1,int
        -add_constant 1.0


        Hao_wOH = Hao_wO- + H+
        log_k  -11.93   # = -pKa2,int
        -add_constant 1.0

###############################################
#             CATIONS                         #
###############################################

#   Calcium
        Hao_sOH + Ca+2 = Hao_sOHCa+2
        log_k  4.97

        Hao_wOH + Ca+2 = Hao_wOCa+ + H+
        log_k -5.85
#   Strontium
        Hao_sOH + Sr+2 = Hao_sOHSr+2
        log_k  5.01

        Hao_wOH + Sr+2 = Hao_wOSr+ + H+
        log_k -6.58

        Hao_wOH + Sr+2 + H2O = Hao_wOSrOH + 2H+
        log_k -17.60
#   Barium
        Hao_sOH + Ba+2 = Hao_sOHBa+2
        log_k  5.46

        Hao_wOH + Ba+2 = Hao_wOBa+ + H+
        log_k  -7.2                     # table 10.5
#
#   Cations from table 10.2
#
#   Silver
        Hao_sOH + Ag+ = Hao_sOAg + H+
        log_k  -1.72

        Hao_wOH + Ag+ = Hao_wOAg + H+
        log_k  -5.3                     # table 10.5
#   Nickel
        Hao_sOH + Ni+2 = Hao_sONi+ + H+
        log_k  0.37

        Hao_wOH + Ni+2 = Hao_wONi+ + H+
        log_k  -2.5                     # table 10.5
#   Cadmium
        Hao_sOH + Cd+2 = Hao_sOCd+ + H+
        log_k  0.47

        Hao_wOH + Cd+2 = Hao_wOCd+ + H+
        log_k   -2.91
#   Zinc
        Hao_sOH + Zn+2 = Hao_sOZn+ + H+
        log_k  0.99

        Hao_wOH + Zn+2 = Hao_wOZn+ + H+
        log_k   -1.99
#   Copper
        Hao_sOH + Cu+2 = Hao_sOCu+ + H+
        log_k  2.89

        Hao_wOH + Cu+2 = Hao_wOCu+ + H+
        log_k  0.6                      # table 10.5
#   Lead
        Hao_sOH + Pb+2 = Hao_sOPb+ + H+
        log_k  4.65

        Hao_wOH + Pb+2 = Hao_wOPb+ + H+
        log_k  0.3                      # table 10.5
#
#   Magnesium
        Hao_wOH + Mg+2 = Hao_wOMg+ + H+
        log_k -4.6

#   Manganese
        Hao_sOH + Mn+2 = Hao_sOMn+ + H+
        log_k  -0.4                     # table 10.5

        Hao_wOH + Mn+2 = Hao_wOMn+ + H+
        log_k -3.5                      # table 10.5

#   Uranyl
        Hao_sOH + UO2+2 = Hao_sOUO2+ + H+
        log_k  5.2                      # table 10.5

        Hao_wOH + UO2+2 = Hao_wOUO2+ + H+
        log_k  2.8                      # table 10.5

# Iron
#        Hao_sOH + Fe+2 = Hao_sOFe+ + H+
#        log_k   0.7     # LFER using table 10.5

#        Hao_wOH + Fe+2 = Hao_wOFe+ + H+
#        log_k -2.5      # LFER using table 10.5


# Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, subm.
         Hao_sOH + Fe+2 = Hao_sOFe+ + H+
         log_k   -0.95

# Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M
         Hao_wOH + Fe+2 = Hao_wOFe+ + H+
         log_k -2.98

         Hao_wOH + Fe+2 + H2O = Hao_wOFeOH + 2H+
         log_k -11.55

###############################################
#             ANIONS                          #
###############################################
#
#   Phosphate
        Hao_wOH + PO4-3 + 3H+ = Hao_wH2PO4 + H2O
        log_k   31.29

        Hao_wOH + PO4-3 + 2H+ = Hao_wHPO4- + H2O
        log_k   25.39

        Hao_wOH + PO4-3 + H+ = Hao_wPO4-2 + H2O
        log_k   17.72
#   Arsenate
        Hao_wOH + AsO4-3 + 3H+ = Hao_wH2AsO4 + H2O
        log_k   29.31

        Hao_wOH + AsO4-3 + 2H+ = Hao_wHAsO4- + H2O
        log_k   23.51

        Hao_wOH + AsO4-3 = Hao_wOHAsO4-3
        log_k   10.58
#
#
#   Arsenite
        Hao_wOH + H3AsO3 = Hao_wH2AsO3 + H2O
        log_k   5.41

#   Borate
        Hao_wOH + H3BO3 = Hao_wH2BO3 + H2O
        log_k   0.62
#
#   Sulfate
        Hao_wOH + SO4-2 + H+ = Hao_wSO4- + H2O
        log_k   7.78

        Hao_wOH + SO4-2 = Hao_wOHSO4-2
        log_k   0.79
#   Selenate
        Hao_wOH + SeO4-2 + H+ = Hao_wSeO4- + H2O
        log_k   7.73

        Hao_wOH + SeO4-2 = Hao_wOHSeO4-2
        log_k   0.80
#   Selenite
        Hao_wOH + SeO3-2 + H+ = Hao_wSeO3- + H2O
        log_k   12.69

        Hao_wOH + SeO3-2 = Hao_wOHSeO3-2
        log_k   5.17
#
        Hao_wOH + F- + H+ = Hao_wF + H2O
        log_k   8.7

        Hao_wOH + F- = Hao_wOHF-
        log_k   1.6
#
# Carbonate: Van Geen et al., 1994 reoptimized for Hao
# 0.15 g Hao/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L
#
#        Hao_wOH + CO3-2 + H+ = Hao_wCO3- + H2O
#        log_k   12.56
#
#        Hao_wOH + CO3-2 + 2H+= Hao_wHCO3 + H2O
#        log_k   20.62


######################################################################

# Hydrous manganese oxide Hmo

######################################################################


#
#   strong binding site--Hmo_s,

        Hmo_sOH = Hmo_sOH
        log_k  0.0

        Hmo_sOH  + H+ = Hmo_sOH2+
        log_k  7.29    # = pKa1,int

        Hmo_sOH = Hmo_sO- + H+
        log_k  -8.93   # = -pKa2,int

#   weak binding site--Hmo_w

        Hmo_wOH = Hmo_wOH
        log_k  0.0

        Hmo_wOH  + H+ = Hmo_wOH2+
        log_k  7.29    # = pKa1,int

        Hmo_wOH = Hmo_wO- + H+
        log_k  -8.93   # = -pKa2,int

###############################################
#             CATIONS                         #
###############################################
#
#   Calcium
        Hmo_sOH + Ca+2 = Hmo_sOHCa+2
        log_k  4.97
	add_constant 2.0

        Hmo_wOH + Ca+2 = Hmo_wOCa+ + H+
        log_k -5.85
	add_constant 2.0
#   Strontium
        Hmo_sOH + Sr+2 = Hmo_sOHSr+2
        log_k  5.01
	add_constant 2.0

        Hmo_wOH + Sr+2 = Hmo_wOSr+ + H+
        log_k -6.58
	add_constant 2.0

        Hmo_wOH + Sr+2 + H2O = Hmo_wOSrOH + 2H+
        log_k -17.60
	add_constant 2.0
#   Barium
        Hmo_sOH + Ba+2 = Hmo_sOHBa+2
        log_k  5.46
	add_constant 2.0

        Hmo_wOH + Ba+2 = Hmo_wOBa+ + H+
        log_k  -7.2                     # table 10.5
	add_constant 2.0
#
#   Silver
        Hmo_sOH + Ag+ = Hmo_sOAg + H+
        log_k  -1.72
	add_constant 2.0

        Hmo_wOH + Ag+ = Hmo_wOAg + H+
        log_k  -5.3                     # table 10.5
	add_constant 2.0
#   Nickel
        Hmo_sOH + Ni+2 = Hmo_sONi+ + H+
        log_k  0.37
	add_constant 2.0

        Hmo_wOH + Ni+2 = Hmo_wONi+ + H+
        log_k  -2.5                     # table 10.5
	add_constant 2.0
#   Cadmium
        Hmo_sOH + Cd+2 = Hmo_sOCd+ + H+
        log_k  0.47
	add_constant 2.0

        Hmo_wOH + Cd+2 = Hmo_wOCd+ + H+
        log_k   -2.91
	add_constant 2.0
#   Zinc
        Hmo_sOH + Zn+2 = Hmo_sOZn+ + H+
        log_k  0.99
	add_constant 2.0

        Hmo_wOH + Zn+2 = Hmo_wOZn+ + H+
        log_k   -1.99
	add_constant 2.0
#   Copper
        Hmo_sOH + Cu+2 = Hmo_sOCu+ + H+
        log_k  2.89
	add_constant 2.0

        Hmo_wOH + Cu+2 = Hmo_wOCu+ + H+
        log_k  0.6                      # table 10.5
	add_constant 2.0
#   Lead
        Hmo_sOH + Pb+2 = Hmo_sOPb+ + H+
        log_k  4.65
	add_constant 2.0

        Hmo_wOH + Pb+2 = Hmo_wOPb+ + H+
        log_k  0.3                      # table 10.5
	add_constant 2.0
#
#
#   Magnesium
        Hmo_wOH + Mg+2 = Hmo_wOMg+ + H+
        log_k -4.6
	add_constant 2.0

#   Manganese
        Hmo_sOH + Mn+2 = Hmo_sOMn+ + H+
        log_k  -0.4                     # table 10.5
	add_constant 2.0

        Hmo_wOH + Mn+2 = Hmo_wOMn+ + H+
        log_k -3.5                      # table 10.5
	add_constant 2.0

#   Uranyl
        Hmo_sOH + UO2+2 = Hmo_sOUO2+ + H+
        log_k  5.2                      # table 10.5
	add_constant 2.0

        Hmo_wOH + UO2+2 = Hmo_wOUO2+ + H+
        log_k  2.8                      # table 10.5
	add_constant 2.0

# Iron
#        Hmo_sOH + Fe+2 = Hmo_sOFe+ + H+
#        log_k   0.7     # LFER using table 10.5
#	 add_constant 2.0

#        Hmo_wOH + Fe+2 = Hmo_wOFe+ + H+
#        log_k -2.5      # LFER using table 10.5
#   	add_constant 2.0


# Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, subm.
         Hmo_sOH + Fe+2 = Hmo_sOFe+ + H+
         log_k   -0.95
	add_constant 2.0
# Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M
         Hmo_wOH + Fe+2 = Hmo_wOFe+ + H+
         log_k -2.98
	add_constant 2.0

         Hmo_wOH + Fe+2 + H2O = Hmo_wOFeOH + 2H+
         log_k -11.55
	add_constant 2.0

###############################################
#             ANIONS                          #
###############################################
#
#   Phosphate
        Hmo_wOH + PO4-3 + 3H+ = Hmo_wH2PO4 + H2O
        log_k   31.29
	add_constant 0.0

        Hmo_wOH + PO4-3 + 2H+ = Hmo_wHPO4- + H2O
        log_k   25.39
	add_constant 0.0

        Hmo_wOH + PO4-3 + H+ = Hmo_wPO4-2 + H2O
        log_k   17.72
	add_constant 0.0
#   Arsenate
        Hmo_wOH + AsO4-3 + 3H+ = Hmo_wH2AsO4 + H2O
        log_k   29.31
	add_constant 0.0

        Hmo_wOH + AsO4-3 + 2H+ = Hmo_wHAsO4- + H2O
        log_k   23.51
	add_constant 0.0

        Hmo_wOH + AsO4-3 = Hmo_wOHAsO4-3
        log_k   10.58
	add_constant 0.0
#
#
#   Arsenite
        Hmo_wOH + H3AsO3 = Hmo_wH2AsO3 + H2O
        log_k   5.41
	add_constant 0.0
#   Borate
        Hmo_wOH + H3BO3 = Hmo_wH2BO3 + H2O
        log_k   0.62
	add_constant 0.0
#
#
#   Sulfate
        Hmo_wOH + SO4-2 + H+ = Hmo_wSO4- + H2O
        log_k   7.78
	add_constant 0.0

        Hmo_wOH + SO4-2 = Hmo_wOHSO4-2
        log_k   0.79
	add_constant 0.0
#   Selenate
        Hmo_wOH + SeO4-2 + H+ = Hmo_wSeO4- + H2O
        log_k   7.73
	add_constant 0.0

        Hmo_wOH + SeO4-2 = Hmo_wOHSeO4-2
        log_k   0.80
	add_constant 0.0
#   Selenite
        Hmo_wOH + SeO3-2 + H+ = Hmo_wSeO3- + H2O
        log_k   12.69
	add_constant 0.0

        Hmo_wOH + SeO3-2 = Hmo_wOHSeO3-2
        log_k   5.17
	add_constant 0.0
#
#
        Hmo_wOH + F- + H+ = Hmo_wF + H2O
        log_k   8.7
	add_constant 0.0

        Hmo_wOH + F- = Hmo_wOHF-
        log_k   1.6
	add_constant 0.0
#
# Carbonate: Van Geen et al., 1994 reoptimized for Hmo
# 0.15 g Hmo/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L
#
#        Hmo_wOH + CO3-2 + H+ = Hmo_wCO3- + H2O
#        log_k   12.56
#
#        Hmo_wOH + CO3-2 + 2H+= Hmo_wHCO3 + H2O
#        log_k   20.62


######################################################################

# Hydrous manganese oxide2 Hmom

######################################################################

#
#   strong binding site--Hmom_s,

        Hmom_sOH = Hmom_sOH
        log_k  0.0

        Hmom_sOH  + H+ = Hmom_sOH2+
        log_k  7.29    # = pKa1,int

        Hmom_sOH = Hmom_sO- + H+
        log_k  -8.93   # = -pKa2,int

#   weak binding site--Hmom_w

        Hmom_wOH = Hmom_wOH
        log_k  0.0

        Hmom_wOH  + H+ = Hmom_wOH2+
        log_k  7.29    # = pKa1,int

        Hmom_wOH = Hmom_wO- + H+
        log_k  -8.93   # = -pKa2,int

###############################################
#             CATIONS                         #
###############################################
#

#   Calcium
        Hmom_sOH + Ca+2 = Hmom_sOHCa+2
        log_k  4.97
	add_constant 2.0

        Hmom_wOH + Ca+2 = Hmom_wOCa+ + H+
        log_k -5.85
	add_constant 2.0
#   Strontium
        Hmom_sOH + Sr+2 = Hmom_sOHSr+2
        log_k  5.01
	add_constant 2.0

        Hmom_wOH + Sr+2 = Hmom_wOSr+ + H+
        log_k -6.58
	add_constant 2.0

        Hmom_wOH + Sr+2 + H2O = Hmom_wOSrOH + 2H+
        log_k -17.60
	add_constant 2.0
#   Barium
        Hmom_sOH + Ba+2 = Hmom_sOHBa+2
        log_k  5.46
	add_constant 2.0

        Hmom_wOH + Ba+2 = Hmom_wOBa+ + H+
        log_k  -7.2                     # table 10.5
	add_constant 2.0
#

#   Silver
        Hmom_sOH + Ag+ = Hmom_sOAg + H+
        log_k  -1.72
	add_constant 2.0

        Hmom_wOH + Ag+ = Hmom_wOAg + H+
        log_k  -5.3                     # table 10.5
	add_constant 2.0
#   Nickel
        Hmom_sOH + Ni+2 = Hmom_sONi+ + H+
        log_k  0.37
	add_constant 2.0

        Hmom_wOH + Ni+2 = Hmom_wONi+ + H+
        log_k  -2.5                     # table 10.5
	add_constant 2.0
#   Cadmium
        Hmom_sOH + Cd+2 = Hmom_sOCd+ + H+
        log_k  0.47
	add_constant 2.0

        Hmom_wOH + Cd+2 = Hmom_wOCd+ + H+
        log_k   -2.91
	add_constant 2.0
#   Zinc
        Hmom_sOH + Zn+2 = Hmom_sOZn+ + H+
        log_k  0.99
	add_constant 2.0

        Hmom_wOH + Zn+2 = Hmom_wOZn+ + H+
        log_k   -1.99
	add_constant 2.0
#   Copper
        Hmom_sOH + Cu+2 = Hmom_sOCu+ + H+
        log_k  2.89
	add_constant 2.0

        Hmom_wOH + Cu+2 = Hmom_wOCu+ + H+
        log_k  0.6                      # table 10.5
	add_constant 2.0
#   Lead
        Hmom_sOH + Pb+2 = Hmom_sOPb+ + H+
        log_k  4.65
	add_constant 2.0

        Hmom_wOH + Pb+2 = Hmom_wOPb+ + H+
        log_k  0.3                      # table 10.5
	add_constant 2.0
#
#   Derived constants table 10.5
#
#   Magnesium
        Hmom_wOH + Mg+2 = Hmom_wOMg+ + H+
        log_k -4.6
	add_constant 2.0

#   Manganese
        Hmom_sOH + Mn+2 = Hmom_sOMn+ + H+
        log_k  -0.4                     # table 10.5
	add_constant 2.0

        Hmom_wOH + Mn+2 = Hmom_wOMn+ + H+
        log_k -3.5                      # table 10.5
	add_constant 2.0

#   Uranyl
        Hmom_sOH + UO2+2 = Hmom_sOUO2+ + H+
        log_k  5.2                      # table 10.5
	add_constant 2.0

        Hmom_wOH + UO2+2 = Hmom_wOUO2+ + H+
        log_k  2.8                      # table 10.5
	add_constant 2.0

# Iron
#        Hmom_sOH + Fe+2 = Hmom_sOFe+ + H+
#        log_k   0.7     # LFER using table 10.5
#	 add_constant 2.0

#        Hmom_wOH + Fe+2 = Hmom_wOFe+ + H+
#        log_k -2.5      # LFER using table 10.5
#   	add_constant 2.0


# Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, subm.
         Hmom_sOH + Fe+2 = Hmom_sOFe+ + H+
         log_k   -0.95
	add_constant 2.0
# Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M
         Hmom_wOH + Fe+2 = Hmom_wOFe+ + H+
         log_k -2.98
	add_constant 2.0

         Hmom_wOH + Fe+2 + H2O = Hmom_wOFeOH + 2H+
         log_k -11.55
	add_constant 2.0

###############################################
#             ANIONS                          #
###############################################
#
#
#   Phosphate
        Hmom_wOH + PO4-3 + 3H+ = Hmom_wH2PO4 + H2O
        log_k   31.29
	add_constant 0.0

        Hmom_wOH + PO4-3 + 2H+ = Hmom_wHPO4- + H2O
        log_k   25.39
	add_constant 0.0

        Hmom_wOH + PO4-3 + H+ = Hmom_wPO4-2 + H2O
        log_k   17.72
	add_constant 0.0
#   Arsenate
        Hmom_wOH + AsO4-3 + 3H+ = Hmom_wH2AsO4 + H2O
        log_k   29.31
	add_constant 0.0

        Hmom_wOH + AsO4-3 + 2H+ = Hmom_wHAsO4- + H2O
        log_k   23.51
	add_constant 0.0

        Hmom_wOH + AsO4-3 = Hmom_wOHAsO4-3
        log_k   10.58
	add_constant 0.0
#
#   Anions from table 10.7
#
#   Arsenite
        Hmom_wOH + H3AsO3 = Hmom_wH2AsO3 + H2O
        log_k   5.41
	add_constant 0.0
#   Borate
        Hmom_wOH + H3BO3 = Hmom_wH2BO3 + H2O
        log_k   0.62
	add_constant 0.0
#
#   Anions from table 10.8
#
#   Sulfate
        Hmom_wOH + SO4-2 + H+ = Hmom_wSO4- + H2O
        log_k   7.78
	add_constant 0.0

        Hmom_wOH + SO4-2 = Hmom_wOHSO4-2
        log_k   0.79
	add_constant 0.0
#   Selenate
        Hmom_wOH + SeO4-2 + H+ = Hmom_wSeO4- + H2O
        log_k   7.73
	add_constant 0.0

        Hmom_wOH + SeO4-2 = Hmom_wOHSeO4-2
        log_k   0.80
	add_constant 0.0
#   Selenite
        Hmom_wOH + SeO3-2 + H+ = Hmom_wSeO3- + H2O
        log_k   12.69
	add_constant 0.0

        Hmom_wOH + SeO3-2 = Hmom_wOHSeO3-2
        log_k   5.17
	add_constant 0.0
#
#   Derived constants table 10.10
#
        Hmom_wOH + F- + H+ = Hmom_wF + H2O
        log_k   8.7
	add_constant 0.0

        Hmom_wOH + F- = Hmom_wOHF-
        log_k   1.6
	add_constant 0.0
#
# Carbonate: Van Geen et al., 1994 reoptimized for Hmom
# 0.15 g Hmom/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L
#
#        Hmom_wOH + CO3-2 + H+ = Hmom_wCO3- + H2O
#        log_k   12.56
#
#        Hmom_wOH + CO3-2 + 2H+= Hmom_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
   20  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