SOLUTION_MASTER_SPECIES
#
#element species        alk     gfw_formula     element_gfw
#
H        H+             -1.     H               1.008
H(0)     H2             0.0     H
H(1)     H+             -1.     0.0
E        e-             0.0     0.0             0.0
O        H2O            0.0     O               16.00
O(0)     O2             0.0     O
O(-2)    H2O            0.0     0.0
Ca       Ca+2           0.0     Ca              40.08
Mg       Mg+2           0.0     Mg              24.312
Na       Na+            0.0     Na              22.9898
K        K+             0.0     K               39.102
Fe       Fe+2           0.0     Fe              55.847
Fe(+2)   Fe+2           0.0     Fe
Fe(+3)   Fe+3           -2.0    Fe
Mn       Mn+2           0.0     Mn              54.938
Mn(+2)   Mn+2           0.0     Mn
Mn(+3)   Mn+3           0.0     Mn
Al       Al+3           0.0     Al              26.9815
Ba       Ba+2           0.0     Ba              137.34
Sr       Sr+2           0.0     Sr              87.62
Si       H4SiO4         0.0     SiO2            28.0843
Cl       Cl-            0.0     Cl              35.453
C        CO3-2          2.0     HCO3            12.0111
C(+4)    CO3-2          2.0     HCO3
C(-4)    CH4            0.0     CH4
Alkalinity CO3-2        1.0     Ca0.5(CO3)0.5   50.05
S        SO4-2          0.0     SO4             32.064
S(6)     SO4-2          0.0     SO4
S(-2)    HS-            1.0     S
N        NO3-           0.0     N               14.0067
N(+5)    NO3-           0.0     N
N(+3)    NO2-           0.0     N
N(0)     N2             0.0     N
N(-3)    NH4+           0.0     N
B        H3BO3          0.0     B               10.81
P        PO4-3          2.0     P               30.9738
F        F-             0.0     F               18.9984
Li       Li+            0.0     Li              6.939
Br       Br-            0.0     Br              79.904
Zn       Zn+2           0.0     Zn              65.37
Cd       Cd+2           0.0     Cd              112.4
Pb       Pb+2           0.0     Pb              207.19
Cu       Cu+2           0.0     Cu              63.546
Cu(+2)   Cu+2           0.0     Cu
Cu(+1)   Cu+1           0.0     Cu

SOLUTION_SPECIES

H+ = H+
        log_k           0.000
        -gamma          9.0000    0.0000

e- = e-
        log_k           0.000

H2O = H2O
        log_k           0.000

Ca+2 = Ca+2
        log_k           0.000
        -gamma    5.0000    0.1650

Mg+2 = Mg+2
        log_k           0.000
        -gamma    5.5000    0.2000

Na+ = Na+
        log_k           0.000
        -gamma    4.0000    0.0750

K+ = K+
        log_k           0.000
        -gamma    3.5000    0.0150

Fe+2 = Fe+2
        log_k           0.000
        -gamma    6.0000    0.0000

Mn+2 = Mn+2
        log_k           0.000
        -gamma    6.0000    0.0000

Al+3 = Al+3
        log_k           0.000
        -gamma    9.0000    0.0000

Ba+2 = Ba+2
        log_k           0.000
        -gamma    5.0000    0.0000

Sr+2 = Sr+2
        log_k           0.000
        -gamma    5.2600    0.1210

H4SiO4 = H4SiO4
        log_k           0.000

Cl- = Cl-
        log_k           0.000
        -gamma    3.5000    0.0150

CO3-2 = CO3-2
        log_k           0.000
        -gamma    5.4000    0.0000

SO4-2 = SO4-2
        log_k           0.000
        -gamma    5.0000   -0.0400

NO3- = NO3-
        log_k           0.000
        -gamma    3.0000    0.0000

H3BO3 = H3BO3
        log_k           0.000

PO4-3 = PO4-3
        log_k           0.000
        -gamma    4.0000    0.0000

F- = F-
        log_k           0.000
        -gamma    3.5000    0.0000

Li+ = Li+
        log_k           0.000
        -gamma    6.0000    0.0000

Br- = Br-
        log_k           0.000
        -gamma    3.0000    0.0000

Zn+2 = Zn+2
        log_k           0.000
        -gamma    5.0000    0.0000

Cd+2 = Cd+2
        log_k           0.000

Pb+2 = Pb+2
        log_k           0.000

Cu+2 = Cu+2
        log_k           0.000
        -gamma    6.0000    0.0000

H2O = OH- + H+
        log_k           -14.000
        delta_h 13.362  kcal
        -analytic       -283.971       -0.05069842  13323.0    102.24447      -1119669.0
        -gamma    3.5000    0.0000

2 H2O = O2 + 4 H+ + 4 e-
        log_k           -86.08
        delta_h 134.79 kcal

2 H+ + 2 e- = H2
        log_k           -3.15
        delta_h -1.759

CO3-2 + H+ = HCO3-
        log_k           10.329
        delta_h -3.561  kcal
        -analytic       107.8871       0.03252849  -5151.79     -38.92561       563713.9
        -gamma    5.4000    0.0000

CO3-2 + 2 H+ = CO2 + H2O
        log_k           16.681
        delta_h -5.738  kcal
        -analytic       464.1965       0.09344813  -26986.16    -165.75951      2248628.9

CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O
        log_k           41.071
        delta_h -61.039 kcal

SO4-2 + H+ = HSO4-
        log_k           1.988
        delta_h 3.85    kcal
        -analytic       -56.889        0.006473    2307.9       19.8858         0.0

HS- = S-2 + H+
        log_k           -12.918
        delta_h 12.1    kcal
        -gamma    5.0000    0.0000

SO4-2 + 9 H+ + 8 e- = HS- + 4 H2O
        log_k           33.65
        delta_h -60.140 kcal
        -gamma    3.5000    0.0000

HS- + H+ = H2S
        log_k           6.994
        delta_h -5.300  kcal
	-analytical  -11.17   0.02386  3279.0


NO3- + 2 H+ + 2 e- = NO2- + H2O
        log_k           28.570
        delta_h -43.760 kcal
        -gamma    3.0000    0.0000

2 NO3- + 12 H+ + 10 e- = N2 + 6 H2O
        log_k           207.080
        delta_h -312.130        kcal

NH4+ = NH3 + H+
        log_k           -9.252
        delta_h 12.48   kcal
        -analytic    0.6322    -0.001225     -2835.76

NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O
        log_k           119.077
        delta_h -187.055        kcal
        -gamma    2.5000    0.0000

NH4+ + SO4-2 = NH4SO4-
        log_k           1.11

H3BO3 = H2BO3- + H+
        log_k           -9.240
        delta_h 3.224   kcal
#	-analytical 24.3919    0.012078   -1343.9    -13.2258

H3BO3 + F- = BF(OH)3-
        log_k           -0.400
        delta_h 1.850   kcal

H3BO3 + 2 F- + H+ = BF2(OH)2- + H2O
        log_k           7.63
        delta_h 1.618   kcal

H3BO3 + 2 H+ + 3 F- = BF3OH- + 2 H2O
        log_k           13.67
        delta_h -1.614  kcal

H3BO3 + 3 H+ + 4 F- = BF4- + 3 H2O
        log_k           20.28
        delta_h -1.846  kcal

PO4-3 + H+ = HPO4-2
        log_k           12.346
        delta_h -3.530  kcal
        -gamma    4.0000    0.0000

PO4-3 + 2 H+ = H2PO4-
        log_k           19.553
        delta_h -4.520  kcal
        -gamma    4.5000    0.0000

H+ + F- = HF
        log_k           3.18
        delta_h 3.18    kcal
        -analytic       -2.033         0.012645      429.01

H+ + 2 F- = HF2-
        log_k           3.760
        delta_h 4.550   kcal

Ca+2 + H2O = CaOH+ + H+
        log_k           -12.780

Ca+2 + CO3-2 = CaCO3
        log_k           3.224
        delta_h 3.545   kcal
        -analytic       -1228.732     -0.299440    35512.75      485.818

Ca+2 + CO3-2 + H+ = CaHCO3+
        log_k           11.435
        delta_h -0.871          kcal
        -analytic       1317.0071     0.34546894   -39916.84     -517.70761     563713.9
        -gamma    5.4000    0.0000

Ca+2 + SO4-2 = CaSO4
        log_k           2.300
        delta_h 1.650   kcal

Ca+2 + HSO4- = CaHSO4+
        log_k           1.08

Ca+2 + PO4-3 = CaPO4-
        log_k           6.459
        delta_h 3.100   kcal

Ca+2 + HPO4-2 = CaHPO4
        log_k           2.739
        delta_h 3.3 kcal

Ca+2 + H2PO4- = CaH2PO4+
        log_k           1.408
        delta_h 3.4 kcal

Ca+2 + F- = CaF+
        log_k           0.940
        delta_h 4.120   kcal

Mg+2 + H2O = MgOH+ + H+
        log_k           -11.440
        delta_h 15.952 kcal

Mg+2 + CO3-2 = MgCO3
        log_k           2.98
        delta_h 2.713   kcal
        -analytic       0.9910        0.00667

Mg+2 + H+ + CO3-2 = MgHCO3+
        log_k           11.399
        delta_h -2.771          kcal
        -analytic       48.6721       0.03252849   -2614.335     -18.00263      563713.9

Mg+2 + SO4-2 = MgSO4
        log_k           2.370
        delta_h 4.550   kcal

Mg+2 + PO4-3 = MgPO4-
        log_k           6.589
        delta_h 3.100   kcal

Mg+2 + HPO4-2 = MgHPO4
        log_k           2.87
        delta_h 3.3 kcal

Mg+2 + H2PO4- = MgH2PO4+
        log_k           1.513
        delta_h 3.4 kcal

Mg+2 + F- = MgF+
        log_k           1.820
        delta_h 3.200   kcal

Na+ + H2O = NaOH + H+
        log_k           -14.180

Na+ + CO3-2 = NaCO3-
        log_k           1.270
        delta_h 8.910   kcal

Na+ + HCO3- = NaHCO3
        log_k           -0.25

Na+ + SO4-2 = NaSO4-
        log_k           0.700
        delta_h 1.120   kcal

Na+ + HPO4-2 = NaHPO4-
        log_k           0.29

Na+ + F- = NaF
        log_k           -0.240

K+ + H2O = KOH + H+
        log_k           -14.460

K+ + SO4-2 = KSO4-
        log_k           0.850
        delta_h 2.250   kcal
	-analytical	 3.106  0.0   -673.6


K+ + HPO4-2 = KHPO4-
        log_k           0.29

Fe+2 + H2O = FeOH+ + H+
        log_k           -9.500
        delta_h 13.200  kcal

Fe+2 + Cl- = FeCl+
        log_k           0.140

Fe+2 + CO3-2 = FeCO3
        log_k           4.380

Fe+2 + HCO3- = FeHCO3+
        log_k           2.0

Fe+2 + SO4-2 = FeSO4
        log_k           2.250
        delta_h 3.230   kcal

Fe+2 + HSO4- = FeHSO4+
        log_k           1.08

Fe+2 + 2HS- = Fe(HS)2
        log_k           8.95

Fe+2 + 3HS- = Fe(HS)3-
        log_k           10.987

Fe+2 + HPO4-2 = FeHPO4
        log_k           3.6

Fe+2 + H2PO4- = FeH2PO4+
        log_k           2.7

Fe+2 + F- = FeF+
        log_k           1.000

Fe+2 = Fe+3 + e-
        log_k           -13.020
        delta_h 9.680   kcal
        -gamma    9.0000    0.0000

Fe+3 + H2O = FeOH+2 + H+
        log_k           -2.19
        delta_h 10.4    kcal

Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+
        log_k           -5.67
        delta_h 17.1    kcal

Fe+3 + 3 H2O = Fe(OH)3 + 3 H+
        log_k           -12.56
        delta_h 24.8    kcal

Fe+3 + 4 H2O = Fe(OH)4- + 4 H+
        log_k           -21.6
        delta_h 31.9    kcal

2 Fe+3 + 2 H2O = Fe2(OH)2+4 + 2 H+
        log_k           -2.95
        delta_h 13.5    kcal

3 Fe+3 + 4 H2O = Fe3(OH)4+5 + 4 H+
        log_k           -6.3
        delta_h 14.3    kcal

Fe+3 + Cl- = FeCl+2
        log_k           1.48
        delta_h 5.6     kcal

Fe+3 + 2 Cl- = FeCl2+
        log_k           2.13

Fe+3 + 3 Cl- = FeCl3
        log_k           1.13

Fe+3 + SO4-2 = FeSO4+
        log_k           4.04
        delta_h 3.91    kcal

Fe+3 + HSO4- = FeHSO4+2
        log_k           2.48

Fe+3 + 2 SO4-2 = Fe(SO4)2-
        log_k           5.38
        delta_h 4.60            kcal

Fe+3 + HPO4-2 = FeHPO4+
        log_k           5.43
        delta_h 5.76            kcal

Fe+3 + H2PO4- = FeH2PO4+2
        log_k           5.43

Fe+3 + F- = FeF+2
        log_k           6.2
        delta_h 2.7             kcal

Fe+3 + 2 F- = FeF2+
        log_k           10.8
        delta_h 4.8             kcal

Fe+3 + 3 F- = FeF3
        log_k           14.0
        delta_h 5.4             kcal

Mn+2 + H2O = MnOH+ + H+
        log_k           -10.590
        delta_h 14.400  kcal

Mn+2 + Cl- = MnCl+
        log_k           0.610

Mn+2 + 2 Cl- = MnCl2
        log_k           0.250

Mn+2 + 3 Cl- = MnCl3-
        log_k           -0.310

Mn+2 + CO3-2 = MnCO3
        log_k           4.900

Mn+2 + HCO3- = MnHCO3+
        log_k           1.95

Mn+2 + SO4-2 = MnSO4
        log_k           2.250
        delta_h 3.370   kcal

Mn+2 + 2 NO3- = Mn(NO3)2
        log_k           0.600
        delta_h -0.396  kcal

Mn+2 + F- = MnF+
        log_k           0.840

Mn+2 = Mn+3 + e-
        log_k           -25.510
        delta_h 25.800  kcal

Al+3 + H2O = AlOH+2 + H+
        log_k           -5.00
        delta_h 11.49   kcal
        -analytic       -38.253        0.0          -656.27        14.327

Al+3 + 2 H2O = Al(OH)2+ + 2 H+
        log_k           -10.1
        delta_h 26.90           kcal
        -analytic       88.500        0.0          -9391.6       -27.121

Al+3 + 3 H2O = Al(OH)3 + 3 H+
        log_k           -16.9
        delta_h 39.89           kcal
        -analytic       226.374       0.0          -18247.8      -73.597

Al+3 + 4 H2O = Al(OH)4- + 4 H+
        log_k           -22.7
        delta_h 42.30           kcal
        -analytic       51.578        0.0          -11168.9      -14.865

Al+3 + SO4-2 = AlSO4+
        log_k           3.5
        delta_h 2.29 kcal

Al+3 + 2SO4-2 = Al(SO4)2-
        log_k           5.0
        delta_h 3.11 kcal

Al+3 + HSO4- = AlHSO4+2
        log_k           0.46

Al+3 + F- = AlF+2
        log_k           7.000
        delta_h 1.060   kcal

Al+3 + 2 F- = AlF2+
        log_k           12.700
        delta_h 1.980   kcal

Al+3 + 3 F- = AlF3
        log_k           16.800
        delta_h 2.160   kcal

Al+3 + 4 F- = AlF4-
        log_k           19.400
        delta_h 2.200   kcal

Al+3 + 5 F- = AlF5-2
        log_k           20.600
        delta_h 1.840   kcal

Al+3 + 6 F- = AlF6-3
        log_k           20.600
        delta_h -1.670  kcal

H4SiO4 = H3SiO4- + H+
        log_k           -9.83
        delta_h 6.12            kcal
        -analytic       -302.3724     -0.050698      15669.69      108.18466    -1119669.0

H4SiO4 = H2SiO4-2 + 2 H+
        log_k           -23.0
        delta_h 17.6            kcal
        -analytic       -294.0184     -0.072650      11204.49      108.18466    -1119669.0

H4SiO4 + 4 H+ + 6 F- = SiF6-2 + 4 H2O
        log_k           30.180
        delta_h -16.260         kcal

Ba+2 + H2O = BaOH+ + H+
        log_k           -13.470

Ba+2 + CO3-2 = BaCO3
        log_k           2.71
        delta_h 3.55            kcal
        -analytic       0.113         0.008721

Ba+2 + HCO3- = BaHCO3+
        log_k           0.982
        delta_h 5.56 kcal
        -analytical     -3.0938         0.013669        0.0     0.0     0.0

Ba+2 + SO4-2 = BaSO4
        log_k           2.700

Sr+2 + H2O = SrOH+ + H+
        log_k           -13.290
        -gamma    5.0000    0.0000

Sr+2 + CO3-2 + H+ = SrHCO3+
        log_k           11.509
        delta_h 2.489           kcal
        -analytic       104.6391      0.04739549   -5151.79      -38.92561      563713.9
        -gamma    5.4000    0.0000

Sr+2 + CO3-2 = SrCO3
        log_k           2.81
        delta_h 5.22    kcal
        -analytic       -1.019         0.012826

Sr+2 + SO4-2 = SrSO4
        log_k           2.290
        delta_h 2.080   kcal

Li+ + H2O = LiOH + H+
        log_k           -13.640

Li+ + SO4-2 = LiSO4-
        log_k           0.640

Cu+2 + e- = Cu+
        log_k           2.720
        delta_h 1.650   kcal
        -gamma    2.5000    0.0000

Cu+2 + H2O = CuOH+ + H+
        log_k           -8.000
        -gamma    4.0000    0.0000

Cu+2 + 2 H2O = Cu(OH)2 + 2 H+
        log_k           -13.680

Cu+2 + 3 H2O = Cu(OH)3- + 3 H+
        log_k           -26.900

Cu+2 + 4 H2O = Cu(OH)4-2 + 4 H+
        log_k           -39.600

Cu+2 + SO4-2 = CuSO4
        log_k           2.310
        delta_h 1.220   kcal

Zn+2 + H2O = ZnOH+ + H+
        log_k           -8.96
        delta_h 13.4 kcal

Zn+2 + 2 H2O = Zn(OH)2 + 2 H+
        log_k           -16.900

Zn+2 + 3 H2O = Zn(OH)3- + 3 H+
        log_k           -28.400

Zn+2 + 4 H2O = Zn(OH)4-2 + 4 H+
        log_k           -41.200

Zn+2 + Cl- = ZnCl+
        log_k           0.43
        delta_h 7.79 kcal

Zn+2 + 2 Cl- = ZnCl2
        log_k           0.45
        delta_h 8.5 kcal

Zn+2 + 3Cl- = ZnCl3-
        log_k           0.5
        delta_h 9.56 kcal

Zn+2 + 4Cl- = ZnCl4-2
        log_k           0.2
        delta_h 10.96 kcal

Zn+2 + CO3-2 = ZnCO3
        log_k           5.3

Zn+2 + 2CO3-2 = Zn(CO3)2-2
        log_k           9.63

Zn+2 + HCO3- = ZnHCO3+
        log_k           2.1

Zn+2 + SO4-2 = ZnSO4
        log_k           2.37
        delta_h 1.36 kcal

Zn+2 + 2SO4-2 = Zn(SO4)2-2
        log_k           3.28

Cd+2 + H2O = CdOH+ + H+
        log_k           -10.080
        delta_h 13.1 kcal

Cd+2 + 2 H2O = Cd(OH)2 + 2 H+
        log_k           -20.350

Cd+2 + 3 H2O = Cd(OH)3- + 3 H+
        log_k           -33.300

Cd+2 + 4 H2O = Cd(OH)4-2 + 4 H+
        log_k           -47.350

Cd+2 + Cl- = CdCl+
        log_k           1.980
        delta_h 0.59 kcal

Cd+2 + 2 Cl- = CdCl2
        log_k           2.600
        delta_h 1.24 kcal

Cd+2 + 3 Cl- = CdCl3-
        log_k           2.400
        delta_h 3.9 kcal

Cd+2 + CO3-2 = CdCO3
        log_k           2.9

Cd+2 + 2CO3-2 = Cd(CO3)2-2
        log_k           6.4

Cd+2 + HCO3- = CdHCO3+
        log_k           1.5

Cd+2 + SO4-2 = CdSO4
        log_k           2.460
        delta_h 1.08 kcal

Cd+2 + 2SO4-2 = Cd(SO4)2-2
        log_k           3.5

Pb+2 + H2O = PbOH+ + H+
        log_k           -7.710

Pb+2 + 2 H2O = Pb(OH)2 + 2 H+
        log_k           -17.120

Pb+2 + 3 H2O = Pb(OH)3- + 3 H+
        log_k           -28.060

Pb+2 + 4 H2O = Pb(OH)4-2 + 4 H+
        log_k           -39.700

2 Pb+2 + H2O = Pb2OH+3 + H+
        log_k           -6.360

Pb+2 + Cl- = PbCl+
        log_k           1.600
        delta_h 4.38 kcal

Pb+2 + 2 Cl- = PbCl2
        log_k           1.800
        delta_h 1.08 kcal

Pb+2 + 3 Cl- = PbCl3-
        log_k           1.700
        delta_h 2.17 kcal

Pb+2 + 4 Cl- = PbCl4-2
        log_k           1.380
        delta_h 3.53 kcal

Pb+2 + CO3-2 = PbCO3
        log_k           7.240

Pb+2 + 2 CO3-2 = Pb(CO3)2-2
        log_k           10.640

Pb+2 + HCO3- = PbHCO3+
        log_k           2.9

Pb+2 + SO4-2 = PbSO4
        log_k           2.750

Pb+2 + 2 SO4-2 = Pb(SO4)2-2
        log_k           3.470

Pb+2 + NO3- = PbNO3+
        log_k           1.170

PHASES

Calcite
        CaCO3 = CO3-2 + Ca+2
        log_k           -8.480
        delta_h -2.297 kcal
        -analytic       -171.9065     -0.077993      2839.319      71.595

Aragonite
        CaCO3 = CO3-2 + Ca+2
        log_k           -8.336
        delta_h -2.589 kcal
        -analytic       -171.9773     -0.077993      2903.293      71.595

Dolomite
        CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2
        log_k           -17.090
        delta_h -9.436 kcal

Siderite
        FeCO3 = Fe+2 + CO3-2
        log_k           -10.890
        delta_h -2.480 kcal

Rhodochrosite
        MnCO3 = Mn+2 + CO3-2
        log_k           -11.130
        delta_h -1.430 kcal

Strontianite
        SrCO3 = Sr+2 + CO3-2
        log_k           -9.271
        delta_h -0.400 kcal
        -analytic       155.0305      0.0          -7239.594     -56.58638

Witherite
        BaCO3 = Ba+2 + CO3-2
        log_k           -8.562
        delta_h 0.703 kcal
        -analytic       607.642       0.121098     -20011.25     -236.4948

Gypsum
        CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O
        log_k           -4.580
        delta_h -0.109 kcal
        -analytic       68.2401       0.0          -3221.51      -25.0627

Anhydrite
        CaSO4 = Ca+2 + SO4-2
        log_k           -4.360
        delta_h -1.710 kcal
        -analytic       197.52        0.0          -8669.8       -69.835

Celestite
        SrSO4 = Sr+2 + SO4-2
        log_k           -6.630
        delta_h -1.037 kcal
        -analytic       -14805.9622    -2.4660924   756968.533    5436.3588      -40553604.0

Barite
        BaSO4 = Ba+2 + SO4-2
        log_k           -9.970
        delta_h 6.350 kcal
        -analytic       136.035       0.0          -7680.41      -48.595

Hydroxyapatite
        Ca5(PO4)3OH + 4 H+ = H2O + 3 HPO4-2 + 5 Ca+2
        log_k           -3.421
        delta_h -36.155 kcal

Fluorite
        CaF2 = Ca+2 + 2 F-
        log_k           -10.600
        delta_h 4.690 kcal
        -analytic       66.348        0.0          -4298.2       -25.271

SiO2(a)
        SiO2 + 2 H2O = H4SiO4
        log_k           -2.710
        delta_h 3.340 kcal
        -analytic       -0.26          0.0          -731.0

Chalcedony
        SiO2 + 2 H2O = H4SiO4
        log_k           -3.550
        delta_h 4.720 kcal
        -analytic       -0.09          0.0          -1032.0

Quartz
        SiO2 + 2 H2O = H4SiO4
        log_k           -3.980
        delta_h 5.990 kcal
        -analytic       0.41          0.0          -1309.0

Gibbsite
        Al(OH)3 + 3 H+ = Al+3 + 3 H2O
        log_k           8.110
        delta_h -22.800 kcal

Al(OH)3(a)
        Al(OH)3 + 3 H+ = Al+3 + 3 H2O
        log_k           10.800
        delta_h -26.500 kcal

Kaolinite
        Al2Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 2 Al+3
        log_k           7.435
        delta_h -35.300 kcal

Albite
        NaAlSi3O8 + 8 H2O = Na+ + Al(OH)4- + 3 H4SiO4
        log_k           -18.002
        delta_h 25.896 kcal

Anorthite
        CaAl2Si2O8 + 8 H2O = Ca+2 + 2 Al(OH)4- + 2 H4SiO4
        log_k           -19.714
        delta_h 11.580 kcal

K-feldspar
        KAlSi3O8 + 8 H2O = K+ + Al(OH)4- + 3 H4SiO4
        log_k           -20.573
        delta_h 30.820  kcal

K-mica
        KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 H4SiO4
        log_k           12.703
        delta_h -59.376 kcal

Chlorite(14A)
        Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 + 3H4SiO4 + 6H2O
        log_k           68.38
        delta_h -151.494 kcal

Ca-Montmorillonite
        Ca0.165Al2.33Si3.67O10(OH)2 + 12 H2O = 0.165Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+
        log_k           -45.027
        delta_h 58.373  kcal

Talc
        Mg3Si4O10(OH)2 + 4 H2O + 6 H+ = 3 Mg+2 + 4 H4SiO4
        log_k           21.399
        delta_h -46.352 kcal

Illite
        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

Chrysotile
        Mg3Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 3 Mg+2
        log_k           32.200
        delta_h -46.800 kcal
        -analytic       13.248        0.0          10217.1       -6.1894

Sepiolite
        Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4
        log_k           15.760
        delta_h -10.700 kcal

Sepiolite(d)
        Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4
        log_k           18.660

Hematite
        Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O
        log_k           -4.008
        delta_h -30.845 kcal

Goethite
        FeOOH + 3 H+ = Fe+3 + 2 H2O
        log_k           -1.000
	delta_h		-14.48

Fe(OH)3(a)
        Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O
        log_k           4.891

Pyrite
        FeS2 + 2 H+ + 2 e- = Fe+2 + 2 HS-
        log_k           -18.479
        delta_h 11.300 kcal

FeS(ppt)
        FeS + H+ = Fe+2 + HS-
        log_k           -3.915

Mackinawite
        FeS + H+ = Fe+2 + HS-
        log_k           -4.648

Sulfur
        S + 2H+ + 2e- = H2S
        log_k           4.882
        delta_h -9.5 kcal

Vivianite
        Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O
        log_k           -36.000

Pyrolusite
        MnO2 + 4 H+ + 2 e- = Mn+2 + 2 H2O
        log_k           41.380
        delta_h -65.110 kcal

Hausmannite
        Mn3O4 + 8 H+ + 2 e- = 3 Mn+2 + 4 H2O
        log_k           61.030
        delta_h -100.640 kcal

Manganite
        MnOOH + 3 H+ + e- = Mn+2 + 2 H2O
        log_k           25.340

Pyrochroite
        Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O
        log_k           15.200

CO2(g)
        CO2 = CO2
        log_k           -1.468
        delta_h -4.776 kcal
        -analytic       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

Melanterite
        FeSO4:7H2O = 7 H2O + Fe+2 + SO4-2
        log_k           -2.209
        delta_h 4.910           kcal
        -analytic       1.447        -0.004153      0.0           0.0          -214949.0

Alunite
        KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6H2O
        log_k           -1.400
        delta_h -50.250 kcal

Jarosite-K
        KFe3(SO4)2(OH)6 + 6 H+ = 3 Fe+3 + 6 H2O + K+ + 2 SO4-2
        log_k           -9.210
        delta_h -31.280 kcal

Zn(OH)2(e)
        Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
        log_k           11.50

Smithsonite
        ZnCO3 = Zn+2 + CO3-2
        log_k           -10.000
        delta_h -4.36   kcal

Sphalerite
        ZnS + H+ = Zn+2 + HS-
        log_k           -11.618
        delta_h 8.250   kcal

Willemite           289
        Zn2SiO4 + 4H+ = 2Zn+2 + H4SiO4
        log_k           15.33
        delta_h -33.37  kcal

Cd(OH)2
        Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O
        log_k           13.650

Otavite             315
        CdCO3 = Cd+2 + CO3-2
        log_k           -12.1
        delta_h -0.019  kcal

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

Cerrusite           365
        PbCO3 = Pb+2 + CO3-2
        log_k           -13.13
        delta_h 4.86    kcal

Anglesite           384
        PbSO4 = Pb+2 + SO4-2
        log_k           -7.79
        delta_h 2.15    kcal

Pb(OH)2             389
        Pb(OH)2 + 2H+ = Pb+2 + 2H2O
        log_k           8.15
        delta_h -13.99  kcal

EXCHANGE_MASTER_SPECIES
        X       X-
EXCHANGE_SPECIES
        X- = X-
        log_k           0.0

        Na+ + X- = NaX
        log_k           0.0

        K+ + X- = KX
        log_k           0.7

        Li+ + X- = LiX
        log_k           -0.08

        H+ + X- = HX
        log_k           1.0

        NH4+ + X- = NH4X
        log_k           0.6

        Ca+2 + 2X- = CaX2
        log_k           0.8

        Mg+2 + 2X- = MgX2
        log_k           0.6

        Sr+2 + 2X- = SrX2
        log_k           0.91

        Ba+2 + 2X- = BaX2
        log_k           0.91

        Mn+2 + 2X- = MnX2
        log_k           0.52

        Fe+2 + 2X- = FeX2
        log_k           0.44

        Cu+2 + 2X- = CuX2
        log_k           0.6

        Zn+2 + 2X- = ZnX2
        log_k           0.8

        Cd+2 + 2X- = CdX2
        log_k           0.8

        Pb+2 + 2X- = PbX2
        log_k           1.05

        Al+3 + 3X- = AlX3
        log_k           0.67

SURFACE_MASTER_SPECIES
        Hfo_s  Hfo_sOH
        Hfo_w  Hfo_wOH
SURFACE_SPECIES
#   All surface data from
#   Dzombak and Morel, 1990
#
#
#   Acid-base data from table 5.7
#
#   strong binding site--Hfo_s,

        Hfo_sOH = Hfo_sOH
        log_k  0.0

        Hfo_sOH  + H+ = Hfo_sOH2+
        log_k  7.29    # = pKa1,int

        Hfo_sOH = Hfo_sO- + H+
        log_k  -8.93   # = -pKa2,int

#   weak binding site--Hfo_w

        Hfo_wOH = Hfo_wOH
        log_k  0.0

        Hfo_wOH  + H+ = Hfo_wOH2+
        log_k  7.29    # = pKa1,int

        Hfo_wOH = Hfo_wO- + H+
        log_k  -8.93   # = -pKa2,int
###############################################
#             CATIONS                         #
###############################################
#
#   Cations from table 10.1 or 10.5
#
#   Calcium
        Hfo_sOH + Ca+2 = Hfo_sOHCa+2
        log_k  4.97

        Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+
        log_k -5.85
#   Strontium
        Hfo_sOH + Sr+2 = Hfo_sOHSr+2
        log_k  5.01

        Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+
        log_k -6.58

        Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+
        log_k -17.60
#   Barium
        Hfo_sOH + Ba+2 = Hfo_sOHBa+2
        log_k  5.46

        Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+
        log_k  -7.2                     # table 10.5
#
#   Cations from table 10.2
#
#   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_sOHMn+2
        log_k  -0.4                     # table 10.5

        Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+
        log_k -3.5                      # table 10.5
###############################################
#             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
#
#   Anions from table 10.7
#
#   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
#
#   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

END

# 9/19/96
# 	Added analytical expression for H2S, NH3, KSO4.
#	Added species CaHSO4+.
#	Added delta H for Goethite.