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Input file: ../examples/ex4
Output file: ex4.out
Database file: ../database/phreeqc.dat
------------------
Reading data base.
------------------
SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES
SURFACE_SPECIES
MEAN_GAMMAS
RATES
END
------------------------------------
Reading input data for simulation 1.
------------------------------------
TITLE Example 4a.--Rainwater evaporation
SOLUTION 1 Precipitation from Central Oklahoma
units mg/L
pH 4.5 # estimated
temp 25.0
Ca .384
Mg .043
Na .141
K .036
Cl .236
C(4) .1 CO2(g) -3.5
S(6) 1.3
N(-3) .208
N(5) .237
REACTION 1
H2O -1.0
52.73 moles
SAVE solution 2
END
-----
TITLE
-----
Example 4a.--Rainwater evaporation
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------
Initial solution 1. Precipitation from Central Oklahoma
-----------------------------Solution composition------------------------------
Elements Molality Moles
C(4) 1.091e-05 1.091e-05 Equilibrium with CO2(g)
Ca 9.581e-06 9.581e-06
Cl 6.657e-06 6.657e-06
K 9.207e-07 9.207e-07
Mg 1.769e-06 1.769e-06
N(-3) 1.485e-05 1.485e-05
N(5) 1.692e-05 1.692e-05
Na 6.133e-06 6.133e-06
S(6) 1.353e-05 1.353e-05
----------------------------Description of solution----------------------------
pH = 4.500
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 15
Density (g/cm³) = 0.99705
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89009
Activity of water = 1.000
Ionic strength (mol/kgw) = 8.839e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -3.185e-05
Total CO2 (mol/kg) = 1.091e-05
Temperature (°C) = 25.00
Electrical balance (eq) = 2.581e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 20.29
Iterations = 3
Total H = 1.110125e+02
Total O = 5.550634e+01
---------------------------------Redox couples---------------------------------
Redox couple pe Eh (volts)
N(-3)/N(5) 9.2667 0.5482
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 3.196e-05 3.162e-05 -4.495 -4.500 -0.005 0.00
OH- 3.236e-10 3.201e-10 -9.490 -9.495 -0.005 -4.13
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
C(4) 1.091e-05
CO2 1.076e-05 1.076e-05 -4.968 -4.968 0.000 34.43
HCO3- 1.530e-07 1.513e-07 -6.815 -6.820 -0.005 24.56
CaHCO3+ 5.402e-12 5.344e-12 -11.267 -11.272 -0.005 122.62
MgHCO3+ 3.022e-12 2.989e-12 -11.520 -11.524 -0.005 5.46
(CO2)2 2.125e-12 2.125e-12 -11.673 -11.673 0.000 68.87
NaHCO3 7.995e-13 7.995e-13 -12.097 -12.097 0.000 31.73
CO3-2 2.344e-13 2.244e-13 -12.630 -12.649 -0.019 -4.02
KHCO3 6.155e-14 6.155e-14 -13.211 -13.211 0.000 41.03
CaCO3 3.451e-15 3.451e-15 -14.462 -14.462 0.000 -14.60
MgCO3 3.616e-16 3.616e-16 -15.442 -15.442 0.000 -17.09
Ca 9.581e-06
Ca+2 9.560e-06 9.153e-06 -5.020 -5.038 -0.019 -18.22
CaSO4 2.098e-08 2.098e-08 -7.678 -7.678 0.000 7.50
CaHCO3+ 5.402e-12 5.344e-12 -11.267 -11.272 -0.005 122.62
CaHSO4+ 4.409e-12 4.361e-12 -11.356 -11.360 -0.005 (0)
CaOH+ 4.856e-14 4.804e-14 -13.314 -13.318 -0.005 (0)
CaCO3 3.451e-15 3.451e-15 -14.462 -14.462 0.000 -14.60
Cl 6.657e-06
Cl- 6.657e-06 6.584e-06 -5.177 -5.181 -0.005 18.05
HCl 7.172e-11 7.173e-11 -10.144 -10.144 0.000 (0)
H(0) 1.416e-20
H2 7.079e-21 7.079e-21 -20.150 -20.150 0.000 28.61
K 9.207e-07
K+ 9.205e-07 9.105e-07 -6.036 -6.041 -0.005 8.99
KSO4- 1.805e-10 1.786e-10 -9.744 -9.748 -0.005 14.12
KHCO3 6.155e-14 6.155e-14 -13.211 -13.211 0.000 41.03
Mg 1.769e-06
Mg+2 1.763e-06 1.688e-06 -5.754 -5.773 -0.019 -21.90
MgSO4 5.697e-09 5.697e-09 -8.244 -8.244 0.000 -7.92
MgHCO3+ 3.022e-12 2.989e-12 -11.520 -11.524 -0.005 5.46
Mg(SO4)2-2 2.525e-13 2.419e-13 -12.598 -12.616 -0.019 -15.61
MgOH+ 1.959e-13 1.938e-13 -12.708 -12.713 -0.005 (0)
MgCO3 3.616e-16 3.616e-16 -15.442 -15.442 0.000 -17.09
N(-3) 1.485e-05
NH4+ 1.485e-05 1.469e-05 -4.828 -4.833 -0.005 17.87
NH4SO4- 2.442e-09 2.416e-09 -8.612 -8.617 -0.005 -13.83
NH3 2.646e-10 2.646e-10 -9.577 -9.577 0.000 24.42
N(5) 1.692e-05
NO3- 1.692e-05 1.674e-05 -4.772 -4.776 -0.005 29.47
Na 6.133e-06
Na+ 6.132e-06 6.065e-06 -5.212 -5.217 -0.005 -1.51
NaSO4- 1.287e-09 1.273e-09 -8.891 -8.895 -0.005 -24.48
NaHCO3 7.995e-13 7.995e-13 -12.097 -12.097 0.000 31.73
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -52.080 -52.080 0.000 30.40
S(6) 1.353e-05
SO4-2 1.346e-05 1.289e-05 -4.871 -4.890 -0.019 14.77
HSO4- 4.006e-08 3.963e-08 -7.397 -7.402 -0.005 40.26
CaSO4 2.098e-08 2.098e-08 -7.678 -7.678 0.000 7.50
MgSO4 5.697e-09 5.697e-09 -8.244 -8.244 0.000 -7.92
NH4SO4- 2.442e-09 2.416e-09 -8.612 -8.617 -0.005 -13.83
NaSO4- 1.287e-09 1.273e-09 -8.891 -8.895 -0.005 -24.48
KSO4- 1.805e-10 1.786e-10 -9.744 -9.748 -0.005 14.12
CaHSO4+ 4.409e-12 4.361e-12 -11.356 -11.360 -0.005 (0)
Mg(SO4)2-2 2.525e-13 2.419e-13 -12.598 -12.616 -0.019 -15.61
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -5.65 -9.93 -4.28 CaSO4
Aragonite -9.35 -17.69 -8.34 CaCO3
Arcanite -15.09 -16.97 -1.88 K2SO4
Calcite -9.21 -17.69 -8.48 CaCO3
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite -19.02 -36.11 -17.08 CaMg(CO3)2
Epsomite -8.92 -10.66 -1.74 MgSO4:7H2O
Gypsum -5.35 -9.93 -4.58 CaSO4:2H2O
H2(g) -17.05 -20.15 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
Halite -11.97 -10.40 1.57 NaCl
Hexahydrite -9.10 -10.66 -1.57 MgSO4:6H2O
Kieserite -9.50 -10.66 -1.16 MgSO4:H2O
Mirabilite -14.08 -15.32 -1.24 Na2SO4:10H2O
NH3(g) -11.37 -9.58 1.80 NH3
O2(g) -49.19 -52.08 -2.89 O2
Sylvite -12.12 -11.22 0.90 KCl
Thenardite -15.02 -15.32 -0.30 Na2SO4
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 1. Precipitation from Central Oklahoma
Using reaction 1.
Reaction 1.
5.273e+01 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 2.182e-04 1.091e-05
Ca 1.916e-04 9.581e-06
Cl 1.331e-04 6.657e-06
K 1.841e-05 9.207e-07
Mg 3.536e-05 1.769e-06
N 6.352e-04 3.177e-05
Na 1.226e-04 6.133e-06
S 2.706e-04 1.353e-05
----------------------------Description of solution----------------------------
pH = 3.148 Charge balance
pe = 16.529 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 292
Density (g/cm³) = 0.99709
Volume (L) = 0.05017
Viscosity (mPa s) = 0.89048
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.529e-03
Mass of water (kg) = 5.002e-02
Total alkalinity (eq/kg) = -7.555e-04
Total CO2 (mol/kg) = 2.182e-04
Temperature (°C) = 25.00
Electrical balance (eq) = 2.581e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 24.29
Iterations = 32
Total H = 5.552525e+00
Total O = 2.776344e+00
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.406e-04 7.107e-04 -3.130 -3.148 -0.018 0.00
OH- 1.488e-11 1.424e-11 -10.827 -10.846 -0.019 -4.10
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -136.694 -136.693 0.000 35.46
C(4) 2.182e-04
CO2 2.180e-04 2.181e-04 -3.661 -3.661 0.000 34.43
HCO3- 1.425e-07 1.365e-07 -6.846 -6.865 -0.019 24.59
(CO2)2 8.728e-10 8.731e-10 -9.059 -9.059 0.000 68.87
CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 122.64
MgHCO3+ 4.754e-11 4.551e-11 -10.323 -10.342 -0.019 5.48
NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73
KHCO3 1.071e-12 1.071e-12 -11.970 -11.970 0.000 41.03
CO3-2 1.069e-14 9.006e-15 -13.971 -14.045 -0.075 -3.90
CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60
MgCO3 2.448e-16 2.449e-16 -15.611 -15.611 0.000 -17.09
Ca 1.916e-04
Ca+2 1.857e-04 1.564e-04 -3.731 -3.806 -0.075 -18.12
CaSO4 5.792e-06 5.795e-06 -5.237 -5.237 0.000 7.50
CaHSO4+ 2.828e-08 2.707e-08 -7.549 -7.568 -0.019 (0)
CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 122.64
CaOH+ 3.814e-14 3.651e-14 -13.419 -13.438 -0.019 (0)
CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60
Cl 1.331e-04
Cl- 1.331e-04 1.274e-04 -3.876 -3.895 -0.019 18.08
HCl 3.113e-08 3.118e-08 -7.507 -7.506 0.001 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.506 -42.506 0.000 28.61
K 1.841e-05
K+ 1.835e-05 1.756e-05 -4.736 -4.755 -0.019 9.02
KSO4- 5.808e-08 5.568e-08 -7.236 -7.254 -0.018 14.15
KHCO3 1.071e-12 1.071e-12 -11.970 -11.970 0.000 41.03
Mg 3.536e-05
Mg+2 3.381e-05 2.850e-05 -4.471 -4.545 -0.074 -21.80
MgSO4 1.554e-06 1.555e-06 -5.809 -5.808 0.000 -7.92
Mg(SO4)2-2 1.263e-09 1.067e-09 -8.899 -8.972 -0.073 -2.63
MgHCO3+ 4.754e-11 4.551e-11 -10.323 -10.342 -0.019 5.48
MgOH+ 1.519e-13 1.456e-13 -12.819 -12.837 -0.018 (0)
MgCO3 2.448e-16 2.449e-16 -15.611 -15.611 0.000 -17.09
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -48.437 -48.457 -0.019 17.90
NH4SO4- 0.000e+00 0.000e+00 -51.013 -51.032 -0.019 -9.55
NH3 0.000e+00 0.000e+00 -54.553 -54.553 0.000 24.42
N(0) 4.751e-04
N2 2.375e-04 2.376e-04 -3.624 -3.624 0.000 29.29
N(3) 2.623e-15
NO2- 2.623e-15 2.510e-15 -14.581 -14.600 -0.019 24.97
N(5) 1.601e-04
NO3- 1.601e-04 1.532e-04 -3.796 -3.815 -0.019 29.50
Na 1.226e-04
Na+ 1.222e-04 1.170e-04 -3.913 -3.932 -0.019 -1.47
NaSO4- 4.143e-07 3.969e-07 -6.383 -6.401 -0.019 -20.09
NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73
O(0) 8.552e-08
O2 4.276e-08 4.278e-08 -7.369 -7.369 0.000 30.40
S(-2) 0.000e+00
H2S 0.000e+00 0.000e+00 -126.809 -126.808 0.000 36.27
HS- 0.000e+00 0.000e+00 -130.583 -130.602 -0.019 20.61
S-2 0.000e+00 0.000e+00 -140.297 -140.372 -0.075 (0)
(H2S)2 0.000e+00 0.000e+00 -254.895 -254.895 0.000 30.09
S(6) 2.706e-04
SO4-2 2.477e-04 2.084e-04 -3.606 -3.681 -0.075 15.86
HSO4- 1.504e-05 1.440e-05 -4.823 -4.842 -0.019 40.28
CaSO4 5.792e-06 5.795e-06 -5.237 -5.237 0.000 7.50
MgSO4 1.554e-06 1.555e-06 -5.809 -5.808 0.000 -7.92
NaSO4- 4.143e-07 3.969e-07 -6.383 -6.401 -0.019 -20.09
KSO4- 5.808e-08 5.568e-08 -7.236 -7.254 -0.018 14.15
CaHSO4+ 2.828e-08 2.707e-08 -7.549 -7.568 -0.019 (0)
Mg(SO4)2-2 1.263e-09 1.067e-09 -8.899 -8.972 -0.073 -2.63
NH4SO4- 0.000e+00 0.000e+00 -51.013 -51.032 -0.019 -9.55
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -3.21 -7.49 -4.28 CaSO4
Aragonite -9.52 -17.85 -8.34 CaCO3
Arcanite -11.31 -13.19 -1.88 K2SO4
Calcite -9.37 -17.85 -8.48 CaCO3
CH4(g) -133.89 -136.69 -2.80 CH4
CO2(g) -2.19 -3.66 -1.47 CO2
Dolomite -19.36 -36.44 -17.08 CaMg(CO3)2
Epsomite -6.49 -8.23 -1.74 MgSO4:7H2O
Gypsum -2.90 -7.49 -4.58 CaSO4:2H2O
H2(g) -39.40 -42.51 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
H2S(g) -125.81 -133.75 -7.94 H2S
Halite -9.40 -7.83 1.57 NaCl
Hexahydrite -6.66 -8.23 -1.57 MgSO4:6H2O
Kieserite -7.06 -8.23 -1.16 MgSO4:H2O
Mirabilite -10.30 -11.54 -1.24 Na2SO4:10H2O
N2(g) -0.45 -3.62 -3.18 N2
NH3(g) -56.35 -54.55 1.80 NH3
O2(g) -4.48 -7.37 -2.89 O2
Sulfur -92.33 -87.45 4.88 S
Sylvite -9.55 -8.65 0.90 KCl
Thenardite -11.24 -11.54 -0.30 Na2SO4
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 2.
------------------------------------
TITLE Example 4b.--Factor of 20 more solution
MIX
2 20.
SAVE solution 3
END
-----
TITLE
-----
Example 4b.--Factor of 20 more solution
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using mix 1.
Mixture 1.
2.000e+01 Solution 2 Solution after simulation 1.
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 2.182e-04 2.183e-04
Ca 1.916e-04 1.916e-04
Cl 1.331e-04 1.331e-04
K 1.841e-05 1.841e-05
Mg 3.536e-05 3.537e-05
N 6.352e-04 6.354e-04
Na 1.226e-04 1.227e-04
S 2.706e-04 2.707e-04
----------------------------Description of solution----------------------------
pH = 3.148 Charge balance
pe = 16.529 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 292
Density (g/cm³) = 0.99709
Volume (L) = 1.00332
Viscosity (mPa s) = 0.89048
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.529e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.555e-04
Total CO2 (mol/kg) = 2.182e-04
Temperature (°C) = 25.00
Electrical balance (eq) = 5.162e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 24.29
Iterations = 0
Total H = 1.110505e+02
Total O = 5.552687e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.406e-04 7.107e-04 -3.130 -3.148 -0.018 0.00
OH- 1.488e-11 1.424e-11 -10.827 -10.846 -0.019 -4.10
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -136.694 -136.693 0.000 35.46
C(4) 2.182e-04
CO2 2.180e-04 2.181e-04 -3.661 -3.661 0.000 34.43
HCO3- 1.425e-07 1.365e-07 -6.846 -6.865 -0.019 24.59
(CO2)2 8.728e-10 8.731e-10 -9.059 -9.059 0.000 68.87
CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 122.64
MgHCO3+ 4.754e-11 4.551e-11 -10.323 -10.342 -0.019 5.48
NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73
KHCO3 1.071e-12 1.071e-12 -11.970 -11.970 0.000 41.03
CO3-2 1.069e-14 9.006e-15 -13.971 -14.045 -0.075 -3.90
CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60
MgCO3 2.448e-16 2.449e-16 -15.611 -15.611 0.000 -17.09
Ca 1.916e-04
Ca+2 1.857e-04 1.564e-04 -3.731 -3.806 -0.075 -18.12
CaSO4 5.792e-06 5.795e-06 -5.237 -5.237 0.000 7.50
CaHSO4+ 2.828e-08 2.707e-08 -7.549 -7.568 -0.019 (0)
CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 122.64
CaOH+ 3.814e-14 3.651e-14 -13.419 -13.438 -0.019 (0)
CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60
Cl 1.331e-04
Cl- 1.331e-04 1.274e-04 -3.876 -3.895 -0.019 18.08
HCl 3.113e-08 3.118e-08 -7.507 -7.506 0.001 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.506 -42.506 0.000 28.61
K 1.841e-05
K+ 1.835e-05 1.756e-05 -4.736 -4.755 -0.019 9.02
KSO4- 5.808e-08 5.568e-08 -7.236 -7.254 -0.018 14.15
KHCO3 1.071e-12 1.071e-12 -11.970 -11.970 0.000 41.03
Mg 3.536e-05
Mg+2 3.381e-05 2.850e-05 -4.471 -4.545 -0.074 -21.80
MgSO4 1.554e-06 1.555e-06 -5.809 -5.808 0.000 -7.92
Mg(SO4)2-2 1.263e-09 1.067e-09 -8.899 -8.972 -0.073 -2.63
MgHCO3+ 4.754e-11 4.551e-11 -10.323 -10.342 -0.019 5.48
MgOH+ 1.519e-13 1.456e-13 -12.819 -12.837 -0.018 (0)
MgCO3 2.448e-16 2.449e-16 -15.611 -15.611 0.000 -17.09
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -48.437 -48.457 -0.019 17.90
NH4SO4- 0.000e+00 0.000e+00 -51.013 -51.032 -0.019 -9.55
NH3 0.000e+00 0.000e+00 -54.553 -54.553 0.000 24.42
N(0) 4.751e-04
N2 2.375e-04 2.376e-04 -3.624 -3.624 0.000 29.29
N(3) 2.623e-15
NO2- 2.623e-15 2.510e-15 -14.581 -14.600 -0.019 24.97
N(5) 1.601e-04
NO3- 1.601e-04 1.532e-04 -3.796 -3.815 -0.019 29.50
Na 1.226e-04
Na+ 1.222e-04 1.170e-04 -3.913 -3.932 -0.019 -1.47
NaSO4- 4.143e-07 3.969e-07 -6.383 -6.401 -0.019 -20.09
NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73
O(0) 8.552e-08
O2 4.276e-08 4.278e-08 -7.369 -7.369 0.000 30.40
S(-2) 0.000e+00
H2S 0.000e+00 0.000e+00 -126.809 -126.808 0.000 36.27
HS- 0.000e+00 0.000e+00 -130.583 -130.602 -0.019 20.61
S-2 0.000e+00 0.000e+00 -140.297 -140.372 -0.075 (0)
(H2S)2 0.000e+00 0.000e+00 -254.895 -254.895 0.000 30.09
S(6) 2.706e-04
SO4-2 2.477e-04 2.084e-04 -3.606 -3.681 -0.075 15.86
HSO4- 1.504e-05 1.440e-05 -4.823 -4.842 -0.019 40.28
CaSO4 5.792e-06 5.795e-06 -5.237 -5.237 0.000 7.50
MgSO4 1.554e-06 1.555e-06 -5.809 -5.808 0.000 -7.92
NaSO4- 4.143e-07 3.969e-07 -6.383 -6.401 -0.019 -20.09
KSO4- 5.808e-08 5.568e-08 -7.236 -7.254 -0.018 14.15
CaHSO4+ 2.828e-08 2.707e-08 -7.549 -7.568 -0.019 (0)
Mg(SO4)2-2 1.263e-09 1.067e-09 -8.899 -8.972 -0.073 -2.63
NH4SO4- 0.000e+00 0.000e+00 -51.013 -51.032 -0.019 -9.55
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -3.21 -7.49 -4.28 CaSO4
Aragonite -9.52 -17.85 -8.34 CaCO3
Arcanite -11.31 -13.19 -1.88 K2SO4
Calcite -9.37 -17.85 -8.48 CaCO3
CH4(g) -133.89 -136.69 -2.80 CH4
CO2(g) -2.19 -3.66 -1.47 CO2
Dolomite -19.36 -36.44 -17.08 CaMg(CO3)2
Epsomite -6.49 -8.23 -1.74 MgSO4:7H2O
Gypsum -2.90 -7.49 -4.58 CaSO4:2H2O
H2(g) -39.40 -42.51 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
H2S(g) -125.81 -133.75 -7.94 H2S
Halite -9.40 -7.83 1.57 NaCl
Hexahydrite -6.66 -8.23 -1.57 MgSO4:6H2O
Kieserite -7.06 -8.23 -1.16 MgSO4:H2O
Mirabilite -10.30 -11.54 -1.24 Na2SO4:10H2O
N2(g) -0.45 -3.62 -3.18 N2
NH3(g) -56.35 -54.55 1.80 NH3
O2(g) -4.48 -7.37 -2.89 O2
Sulfur -92.33 -87.45 4.88 S
Sylvite -9.55 -8.65 0.90 KCl
Thenardite -11.24 -11.54 -0.30 Na2SO4
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
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End of simulation.
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Reading input data for simulation 3.
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