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Input file: ../examples/ex17b
Output file: ex17b.out
Database file: ../database/pitzer.dat
------------------
Reading data base.
------------------
SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
PITZER
GAS_BINARY_PARAMETERS
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES
SURFACE_SPECIES
MEAN_GAMMAS
END
------------------------------------
Reading input data for simulation 1.
------------------------------------
SOLUTION 1 Black Sea water
units mg/L
density 1.014
pH 8.0 # estimated
Ca 233
Mg 679
Na 5820
K 193
S(6) 1460
Cl 10340
Br 35
C 1 CO2(g) -3.5
EQUILIBRIUM_PHASES
CO2(g) -3.5 10
Calcite 0 0
Gypsum 0 0
Anhydrite 0 0
Glauberite 0 0
Polyhalite 0 0
Epsomite 0 0
Kieserite 0 0
Hexahydrite 0 0
Halite 0 0
Bischofite 0 0
Carnallite 0 0
USER_GRAPH Example 17B
-head H2O Na K Mg Ca Cl SO4 Calcite Gypsum Anhydrite Halite Glauberite Polyhalite
-init false
-axis_scale x_axis 0 100
-axis_scale y_axis -5 1. 1
-axis_scale sy_axis -5 10 5 100
-axis_titles "Concentration factor" "Log(Molality)" "Log(Moles of solid)"
-chart_title "Evaporating Black Sea water"
-start
10 graph_x 1 / tot("water")
20 graph_y log10(tot("Na")), log10(tot("K")), log10(tot("Mg")), log10(tot("Ca")), log10(tot("Cl")), log10(tot("S"))
30 if equi("Calcite") > 1e-5 then graph_sy log10(equi("Calcite")) else graph_sy -5
35 if equi("Gypsum") > 1e-5 then graph_sy log10(equi("Gypsum")) else graph_sy -5
40 if equi("Anhydrite") > 1e-5 then graph_sy log10(equi("Anhydrite")) else graph_sy -5
50 if equi("Halite") > 1e-5 then graph_sy log10(equi("Halite")) else graph_sy -5
60 if equi("Glauberite") > 1e-5 then graph_sy log10(equi("Glauberite")) else graph_sy -5
70 if equi("Polyhalite") > 1e-5 then graph_sy log10(equi("Polyhalite")) else graph_sy -5
80 if STEP_NO > 20 THEN PRINT "x", "Na", "K", "Mg", "Ca", "Cl", "S"
90 if STEP_NO > 20 THEN PRINT 1 / tot("water"), (tot("Na")), (tot("K")), (tot("Mg")), (tot("Ca")), (tot("Cl")), (tot("S"))
-end
REACTION
H2O -1
0 36 3*4 6*1 2*0.25 0.176 4*0.05 5*0.03
INCREMENTAL_REACTIONS true
END
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------
Initial solution 1. Black Sea water
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 4.401e-04 4.401e-04
C 7.375e-04 7.375e-04 Equilibrium with CO2(g)
Ca 5.841e-03 5.841e-03
Cl 2.930e-01 2.930e-01
K 4.960e-03 4.960e-03
Mg 2.807e-02 2.807e-02
Na 2.544e-01 2.544e-01
S(6) 1.527e-02 1.527e-02
----------------------------Description of solution----------------------------
pH = 8.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 29778
Density (g/cm³) = 1.01091
Volume (L) = 1.00789
Viscosity (mPa s) = 0.92655
Activity of water = 0.990
Ionic strength (mol/kgw) = 3.751e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 7.601e-04
Total CO2 (mol/kg) = 7.375e-04
Temperature (°C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.36
Iterations = 8
Gamma iterations = 3
Osmotic coefficient = 0.89867
Density of water = 0.99704
Total H = 1.110131e+02
Total O = 5.556951e+01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.669e-06 1.002e-06 -5.777 -5.999 -0.222 -3.15
H+ 1.290e-08 1.000e-08 -7.890 -8.000 -0.110 0.00
H2O 5.551e+01 9.903e-01 1.744 -0.004 0.000 18.07
Br 4.401e-04
Br- 4.401e-04 3.007e-04 -3.356 -3.522 -0.165 25.07
C(4) 7.375e-04
HCO3- 6.974e-04 4.854e-04 -3.157 -3.314 -0.157 25.88
CO3-2 1.577e-05 2.223e-06 -4.802 -5.653 -0.851 -1.45
MgCO3 1.412e-05 1.412e-05 -4.850 -4.850 0.000 -17.09
CO2 1.018e-05 1.076e-05 -4.992 -4.968 0.024 34.43
Ca 5.841e-03
Ca+2 5.841e-03 1.446e-03 -2.233 -2.840 -0.606 -16.97
Cl 2.930e-01
Cl- 2.930e-01 1.964e-01 -0.533 -0.707 -0.174 18.61
K 4.960e-03
K+ 4.960e-03 3.419e-03 -2.305 -2.466 -0.162 9.48
Mg 2.807e-02
Mg+2 2.805e-02 7.498e-03 -1.552 -2.125 -0.573 -20.69
MgCO3 1.412e-05 1.412e-05 -4.850 -4.850 0.000 -17.09
MgOH+ 1.241e-06 1.153e-06 -5.906 -5.938 -0.032 (0)
Na 2.544e-01
Na+ 2.544e-01 1.837e-01 -0.595 -0.736 -0.141 -0.74
S(6) 1.527e-02
SO4-2 1.527e-02 2.084e-03 -1.816 -2.681 -0.865 17.45
HSO4- 2.961e-09 2.026e-09 -8.529 -8.693 -0.165 40.79
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -1.27 -5.52 -4.25 CaSO4
Aragonite -0.27 -8.49 -8.22 CaCO3
Arcanite -5.73 -7.61 -1.88 K2SO4
Artinite -3.25 16.41 19.66 Mg2CO3(OH)2:3H2O
Bischofite -8.16 -3.56 4.59 MgCl2:6H2O
Bloedite -6.63 -8.98 -2.35 Na2Mg(SO4)2:4H2O
Brucite -3.24 -14.12 -10.88 Mg(OH)2
Burkeite -14.66 -15.43 -0.77 Na6CO3(SO4)2
Calcite -0.09 -8.49 -8.41 CaCO3
Carnallite -11.16 -6.74 4.42 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 0.82 -16.27 -17.09 CaMg(CO3)2
Epsomite -2.99 -4.84 -1.85 MgSO4:7H2O
Gaylussite -6.22 -15.64 -9.42 CaNa2(CO3)2:5H2O
Glaserite -9.69 -13.50 -3.80 NaK3(SO4)2
Glauberite -4.32 -9.67 -5.35 Na2Ca(SO4)2
Goergeyite -5.85 -35.22 -29.37 K2Ca5(SO4)6H2O
Gypsum -0.93 -5.53 -4.60 CaSO4:2H2O
H2O(g) -1.51 -0.00 1.50 H2O
Halite -3.02 -1.44 1.58 NaCl
Hexahydrite -3.26 -4.83 -1.57 MgSO4:6H2O
Huntite -0.71 9.53 10.24 CaMg3(CO3)4
Kainite -7.80 -7.99 -0.19 KMgClSO4:3H2O
Kalicinite -6.18 -16.12 -9.94 KHCO3
Kieserite -4.54 -4.81 -0.27 MgSO4:H2O
Labile_S -8.16 -13.83 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -3.94 -4.82 -0.89 MgSO4:4H2O
Leonite -8.46 -12.44 -3.98 K2Mg(SO4)2:4H2O
Magnesite 0.06 -7.78 -7.83 MgCO3
MgCl2_2H2O -18.10 -3.55 14.56 MgCl2:2H2O
MgCl2_4H2O -10.53 -3.56 6.98 MgCl2:4H2O
Mirabilite -2.96 -4.20 -1.24 Na2SO4:10H2O
Misenite -75.69 -86.50 -10.81 K8H6(SO4)7
Nahcolite -3.65 -14.39 -10.74 NaHCO3
Natron -6.34 -7.17 -0.82 Na2CO3:10H2O
Nesquehonite -2.62 -7.79 -5.17 MgCO3:3H2O
Pentahydrite -3.54 -4.83 -1.28 MgSO4:5H2O
Pirssonite -6.39 -15.63 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -9.73 -23.47 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.65 -14.84 -5.19 Ca(OH)2
Schoenite -8.12 -12.44 -4.33 K2Mg(SO4)2:6H2O
Sylvite -4.07 -3.17 0.90 KCl
Syngenite -6.71 -13.14 -6.43 K2Ca(SO4)2:H2O
Thenardite -3.85 -4.15 -0.30 Na2SO4
Trona -10.14 -21.52 -11.38 Na3H(CO3)2:2H2O
**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. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
0.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -1.27 -5.52 -4.25 0.000e+00 0 0.000e+00
Bischofite -8.16 -3.56 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 0.000e+00
Calcite -0.09 -8.49 -8.41 0.000e+00 0 0.000e+00
Carnallite -11.16 -6.74 4.42 0.000e+00 0 0.000e+00
Epsomite -2.99 -4.84 -1.85 0.000e+00 0 0.000e+00
Glauberite -4.32 -9.67 -5.35 0.000e+00 0 0.000e+00
Gypsum -0.93 -5.53 -4.60 0.000e+00 0 0.000e+00
Halite -3.02 -1.44 1.58 0.000e+00 0 0.000e+00
Hexahydrite -3.26 -4.83 -1.57 0.000e+00 0 0.000e+00
Kieserite -4.54 -4.81 -0.27 0.000e+00 0 0.000e+00
Polyhalite -9.73 -23.47 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 4.401e-04 4.401e-04
C 7.375e-04 7.375e-04
Ca 5.841e-03 5.841e-03
Cl 2.930e-01 2.930e-01
K 4.960e-03 4.960e-03
Mg 2.807e-02 2.807e-02
Na 2.544e-01 2.544e-01
S 1.527e-02 1.527e-02
----------------------------Description of solution----------------------------
pH = 8.000 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 29778
Density (g/cm³) = 1.01091
Volume (L) = 1.00789
Viscosity (mPa s) = 0.92655
Activity of water = 0.990
Ionic strength (mol/kgw) = 3.751e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 7.601e-04
Total CO2 (mol/kg) = 7.375e-04
Temperature (°C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.36
Iterations = 1
Gamma iterations = 1
Osmotic coefficient = 0.89867
Density of water = 0.99704
Total H = 1.110131e+02
Total O = 5.556951e+01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.669e-06 1.002e-06 -5.777 -5.999 -0.222 -3.15
H+ 1.290e-08 1.000e-08 -7.890 -8.000 -0.110 0.00
H2O 5.551e+01 9.903e-01 1.744 -0.004 0.000 18.07
Br 4.401e-04
Br- 4.401e-04 3.007e-04 -3.356 -3.522 -0.165 25.07
C(4) 7.375e-04
HCO3- 6.974e-04 4.854e-04 -3.157 -3.314 -0.157 25.88
CO3-2 1.577e-05 2.223e-06 -4.802 -5.653 -0.851 -1.45
MgCO3 1.412e-05 1.412e-05 -4.850 -4.850 0.000 -17.09
CO2 1.018e-05 1.076e-05 -4.992 -4.968 0.024 34.43
Ca 5.841e-03
Ca+2 5.841e-03 1.446e-03 -2.233 -2.840 -0.606 -16.97
Cl 2.930e-01
Cl- 2.930e-01 1.964e-01 -0.533 -0.707 -0.174 18.61
K 4.960e-03
K+ 4.960e-03 3.419e-03 -2.305 -2.466 -0.162 9.48
Mg 2.807e-02
Mg+2 2.805e-02 7.498e-03 -1.552 -2.125 -0.573 -20.69
MgCO3 1.412e-05 1.412e-05 -4.850 -4.850 0.000 -17.09
MgOH+ 1.241e-06 1.153e-06 -5.906 -5.938 -0.032 (0)
Na 2.544e-01
Na+ 2.544e-01 1.837e-01 -0.595 -0.736 -0.141 -0.74
S(6) 1.527e-02
SO4-2 1.527e-02 2.084e-03 -1.816 -2.681 -0.865 17.45
HSO4- 2.961e-09 2.026e-09 -8.529 -8.693 -0.165 40.79
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -1.27 -5.52 -4.25 CaSO4
Aragonite -0.27 -8.49 -8.22 CaCO3
Arcanite -5.73 -7.61 -1.88 K2SO4
Artinite -3.25 16.41 19.66 Mg2CO3(OH)2:3H2O
Bischofite -8.16 -3.56 4.59 MgCl2:6H2O
Bloedite -6.63 -8.98 -2.35 Na2Mg(SO4)2:4H2O
Brucite -3.24 -14.12 -10.88 Mg(OH)2
Burkeite -14.66 -15.43 -0.77 Na6CO3(SO4)2
Calcite -0.09 -8.49 -8.41 CaCO3
Carnallite -11.16 -6.74 4.42 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 0.82 -16.27 -17.09 CaMg(CO3)2
Epsomite -2.99 -4.84 -1.85 MgSO4:7H2O
Gaylussite -6.22 -15.64 -9.42 CaNa2(CO3)2:5H2O
Glaserite -9.69 -13.50 -3.80 NaK3(SO4)2
Glauberite -4.32 -9.67 -5.35 Na2Ca(SO4)2
Goergeyite -5.85 -35.22 -29.37 K2Ca5(SO4)6H2O
Gypsum -0.93 -5.53 -4.60 CaSO4:2H2O
H2O(g) -1.51 -0.00 1.50 H2O
Halite -3.02 -1.44 1.58 NaCl
Hexahydrite -3.26 -4.83 -1.57 MgSO4:6H2O
Huntite -0.71 9.53 10.24 CaMg3(CO3)4
Kainite -7.80 -7.99 -0.19 KMgClSO4:3H2O
Kalicinite -6.18 -16.12 -9.94 KHCO3
Kieserite -4.54 -4.81 -0.27 MgSO4:H2O
Labile_S -8.16 -13.83 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -3.94 -4.82 -0.89 MgSO4:4H2O
Leonite -8.46 -12.44 -3.98 K2Mg(SO4)2:4H2O
Magnesite 0.06 -7.78 -7.83 MgCO3
MgCl2_2H2O -18.10 -3.55 14.56 MgCl2:2H2O
MgCl2_4H2O -10.53 -3.56 6.98 MgCl2:4H2O
Mirabilite -2.96 -4.20 -1.24 Na2SO4:10H2O
Misenite -75.69 -86.50 -10.81 K8H6(SO4)7
Nahcolite -3.65 -14.39 -10.74 NaHCO3
Natron -6.34 -7.17 -0.82 Na2CO3:10H2O
Nesquehonite -2.62 -7.79 -5.17 MgCO3:3H2O
Pentahydrite -3.54 -4.83 -1.28 MgSO4:5H2O
Pirssonite -6.39 -15.63 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -9.73 -23.47 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.65 -14.84 -5.19 Ca(OH)2
Schoenite -8.12 -12.44 -4.33 K2Mg(SO4)2:6H2O
Sylvite -4.07 -3.17 0.90 KCl
Syngenite -6.71 -13.14 -6.43 K2Ca(SO4)2:H2O
Thenardite -3.85 -4.15 -0.30 Na2SO4
Trona -10.14 -21.52 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 2.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
3.600e+01 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.77 -5.02 -4.25 0.000e+00 0 0.000e+00
Bischofite -6.95 -2.36 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 2.474e-04
Calcite 0.00 -8.41 -8.41 0.000e+00 2.586e-04 2.586e-04
Carnallite -9.13 -4.71 4.42 0.000e+00 0 0.000e+00
Epsomite -2.50 -4.35 -1.85 0.000e+00 0 0.000e+00
Glauberite -2.82 -8.17 -5.35 0.000e+00 0 0.000e+00
Gypsum -0.44 -5.04 -4.60 0.000e+00 0 0.000e+00
Halite -2.17 -0.59 1.58 0.000e+00 0 0.000e+00
Hexahydrite -2.77 -4.34 -1.57 0.000e+00 0 0.000e+00
Kieserite -4.01 -4.28 -0.27 0.000e+00 0 0.000e+00
Polyhalite -7.26 -21.00 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.252e-03 4.401e-04
C 6.589e-04 2.315e-04
Ca 1.589e-02 5.583e-03
Cl 8.339e-01 2.930e-01
K 1.411e-02 4.960e-03
Mg 7.987e-02 2.807e-02
Na 7.238e-01 2.544e-01
S 4.345e-02 1.527e-02
----------------------------Description of solution----------------------------
pH = 7.848 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 73067
Density (g/cm³) = 1.03527
Volume (L) = 0.35767
Viscosity (mPa s) = 0.99366
Activity of water = 0.972
Ionic strength (mol/kgw) = 1.065e+00
Mass of water (kg) = 3.514e-01
Total alkalinity (eq/kg) = 6.913e-04
Total CO2 (mol/kg) = 6.589e-04
Temperature (°C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.36
Iterations = 14
Gamma iterations = 3
Osmotic coefficient = 0.91503
Density of water = 0.99704
Total H = 3.901313e+01
Total O = 1.956824e+01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.475e-06 6.933e-07 -5.831 -6.159 -0.328 -2.00
H+ 1.618e-08 1.419e-08 -7.791 -7.848 -0.057 0.00
H2O 5.551e+01 9.722e-01 1.744 -0.012 0.000 18.07
Br 1.252e-03
Br- 1.252e-03 7.919e-04 -2.902 -3.101 -0.199 25.39
C(4) 6.589e-04
HCO3- 6.116e-04 3.357e-04 -3.214 -3.474 -0.260 27.28
CO3-2 1.917e-05 1.083e-06 -4.717 -5.965 -1.248 0.59
MgCO3 1.884e-05 1.884e-05 -4.725 -4.725 0.000 -17.09
CO2 9.195e-06 1.076e-05 -5.036 -4.968 0.068 34.43
Ca 1.589e-02
Ca+2 1.589e-02 3.626e-03 -1.799 -2.441 -0.642 -16.43
Cl 8.339e-01
Cl- 8.339e-01 5.009e-01 -0.079 -0.300 -0.221 18.97
K 1.411e-02
K+ 1.411e-02 8.943e-03 -1.850 -2.049 -0.198 9.88
Mg 7.987e-02
Mg+2 7.985e-02 2.053e-02 -1.098 -1.688 -0.590 -20.14
MgCO3 1.884e-05 1.884e-05 -4.725 -4.725 0.000 -17.09
MgOH+ 2.211e-06 2.182e-06 -5.655 -5.661 -0.006 (0)
Na 7.238e-01
Na+ 7.238e-01 5.140e-01 -0.140 -0.289 -0.149 -0.27
S(6) 4.345e-02
SO4-2 4.345e-02 2.642e-03 -1.362 -2.578 -1.216 19.50
HSO4- 5.966e-09 3.646e-09 -8.224 -8.438 -0.214 41.13
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.77 -5.02 -4.25 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -4.80 -6.68 -1.88 K2SO4
Artinite -3.03 16.63 19.66 Mg2CO3(OH)2:3H2O
Bischofite -6.95 -2.36 4.59 MgCl2:6H2O
Bloedite -5.12 -7.47 -2.35 Na2Mg(SO4)2:4H2O
Brucite -3.13 -14.01 -10.88 Mg(OH)2
Burkeite -12.08 -12.86 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -9.13 -4.71 4.42 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 1.03 -16.06 -17.09 CaMg(CO3)2
Epsomite -2.50 -4.35 -1.85 MgSO4:7H2O
Gaylussite -5.59 -15.01 -9.42 CaNa2(CO3)2:5H2O
Glaserite -7.79 -11.59 -3.80 NaK3(SO4)2
Glauberite -2.82 -8.17 -5.35 Na2Ca(SO4)2
Goergeyite -2.41 -31.78 -29.37 K2Ca5(SO4)6H2O
Gypsum -0.44 -5.04 -4.60 CaSO4:2H2O
H2O(g) -1.52 -0.01 1.50 H2O
Halite -2.17 -0.59 1.58 NaCl
Hexahydrite -2.77 -4.34 -1.57 MgSO4:6H2O
Huntite -0.25 9.99 10.24 CaMg3(CO3)4
Kainite -6.46 -6.65 -0.19 KMgClSO4:3H2O
Kalicinite -5.92 -15.86 -9.94 KHCO3
Kieserite -4.01 -4.28 -0.27 MgSO4:H2O
Labile_S -5.68 -11.36 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -3.43 -4.31 -0.89 MgSO4:4H2O
Leonite -7.01 -10.99 -3.98 K2Mg(SO4)2:4H2O
Magnesite 0.18 -7.65 -7.83 MgCO3
MgCl2_2H2O -16.87 -2.31 14.56 MgCl2:2H2O
MgCl2_4H2O -9.32 -2.34 6.98 MgCl2:4H2O
Mirabilite -2.04 -3.28 -1.24 Na2SO4:10H2O
Misenite -70.72 -81.52 -10.81 K8H6(SO4)7
Nahcolite -3.36 -14.10 -10.74 NaHCO3
Natron -5.84 -6.67 -0.82 Na2CO3:10H2O
Nesquehonite -2.52 -7.69 -5.17 MgCO3:3H2O
Pentahydrite -3.04 -4.33 -1.28 MgSO4:5H2O
Pirssonite -5.74 -14.97 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -7.26 -21.00 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.57 -14.76 -5.19 Ca(OH)2
Schoenite -6.69 -11.01 -4.33 K2Mg(SO4)2:6H2O
Sylvite -3.25 -2.35 0.90 KCl
Syngenite -5.28 -11.71 -6.43 K2Ca(SO4)2:H2O
Thenardite -2.86 -3.16 -0.30 Na2SO4
Trona -9.29 -20.67 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 3.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
4.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.65 -4.90 -4.25 0.000e+00 0 0.000e+00
Bischofite -6.67 -2.08 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 2.868e-05
Calcite 0.00 -8.41 -8.41 2.586e-04 2.893e-04 3.077e-05
Carnallite -8.66 -4.24 4.42 0.000e+00 0 0.000e+00
Epsomite -2.40 -4.24 -1.85 0.000e+00 0 0.000e+00
Glauberite -2.49 -7.84 -5.35 0.000e+00 0 0.000e+00
Gypsum -0.33 -4.93 -4.60 0.000e+00 0 0.000e+00
Halite -1.97 -0.39 1.58 0.000e+00 0 0.000e+00
Hexahydrite -2.66 -4.23 -1.57 0.000e+00 0 0.000e+00
Kieserite -3.88 -4.15 -0.27 0.000e+00 0 0.000e+00
Polyhalite -6.70 -20.44 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.575e-03 4.401e-04
C 6.160e-04 1.721e-04
Ca 1.987e-02 5.552e-03
Cl 1.049e+00 2.930e-01
K 1.775e-02 4.960e-03
Mg 1.005e-01 2.807e-02
Na 9.105e-01 2.544e-01
S 5.466e-02 1.527e-02
----------------------------Description of solution----------------------------
pH = 7.793 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 88040
Density (g/cm³) = 1.04464
Volume (L) = 0.28547
Viscosity (mPa s) = 1.02207
Activity of water = 0.965
Ionic strength (mol/kgw) = 1.340e+00
Mass of water (kg) = 2.794e-01
Total alkalinity (eq/kg) = 6.494e-04
Total CO2 (mol/kg) = 6.160e-04
Temperature (°C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.36
Iterations = 7
Gamma iterations = 3
Osmotic coefficient = 0.92645
Density of water = 0.99704
Total H = 3.101313e+01
Total O = 1.556809e+01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.379e-06 6.059e-07 -5.860 -6.218 -0.357 -1.59
H+ 1.714e-08 1.612e-08 -7.766 -7.793 -0.027 0.00
H2O 5.551e+01 9.647e-01 1.744 -0.016 0.000 18.07
Br 1.575e-03
Br- 1.575e-03 9.887e-04 -2.803 -3.005 -0.202 25.48
C(4) 6.160e-04
HCO3- 5.689e-04 2.934e-04 -3.245 -3.532 -0.288 27.73
MgCO3 1.929e-05 1.929e-05 -4.715 -4.715 0.000 -17.09
CO3-2 1.898e-05 8.338e-07 -4.722 -6.079 -1.357 1.24
CO2 8.831e-06 1.076e-05 -5.054 -4.968 0.086 34.43
Ca 1.987e-02
Ca+2 1.987e-02 4.710e-03 -1.702 -2.327 -0.625 -16.27
Cl 1.049e+00
Cl- 1.049e+00 6.177e-01 0.021 -0.209 -0.230 19.08
K 1.775e-02
K+ 1.775e-02 1.111e-02 -1.751 -1.954 -0.203 10.02
Mg 1.005e-01
Mg+2 1.005e-01 2.730e-02 -0.998 -1.564 -0.566 -19.97
MgCO3 1.929e-05 1.929e-05 -4.715 -4.715 0.000 -17.09
MgOH+ 2.573e-06 2.537e-06 -5.590 -5.596 -0.006 (0)
Na 9.105e-01
Na+ 9.105e-01 6.552e-01 -0.041 -0.184 -0.143 -0.14
S(6) 5.466e-02
SO4-2 5.466e-02 2.683e-03 -1.262 -2.571 -1.309 20.11
HSO4- 7.066e-09 4.204e-09 -8.151 -8.376 -0.226 41.22
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.65 -4.90 -4.25 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -4.60 -6.48 -1.88 K2SO4
Artinite -3.02 16.64 19.66 Mg2CO3(OH)2:3H2O
Bischofite -6.67 -2.08 4.59 MgCl2:6H2O
Bloedite -4.79 -7.14 -2.35 Na2Mg(SO4)2:4H2O
Brucite -3.12 -14.00 -10.88 Mg(OH)2
Burkeite -11.55 -12.32 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -8.66 -4.24 4.42 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 1.04 -16.05 -17.09 CaMg(CO3)2
Epsomite -2.40 -4.24 -1.85 MgSO4:7H2O
Gaylussite -5.51 -14.93 -9.42 CaNa2(CO3)2:5H2O
Glaserite -7.39 -11.19 -3.80 NaK3(SO4)2
Glauberite -2.49 -7.84 -5.35 Na2Ca(SO4)2
Goergeyite -1.62 -30.99 -29.37 K2Ca5(SO4)6H2O
Gypsum -0.33 -4.93 -4.60 CaSO4:2H2O
H2O(g) -1.52 -0.02 1.50 H2O
Halite -1.97 -0.39 1.58 NaCl
Hexahydrite -2.66 -4.23 -1.57 MgSO4:6H2O
Huntite -0.22 10.02 10.24 CaMg3(CO3)4
Kainite -6.15 -6.35 -0.19 KMgClSO4:3H2O
Kalicinite -5.89 -15.83 -9.94 KHCO3
Kieserite -3.88 -4.15 -0.27 MgSO4:H2O
Labile_S -5.13 -10.81 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -3.31 -4.20 -0.89 MgSO4:4H2O
Leonite -6.70 -10.68 -3.98 K2Mg(SO4)2:4H2O
Magnesite 0.19 -7.64 -7.83 MgCO3
MgCl2_2H2O -16.57 -2.01 14.56 MgCl2:2H2O
MgCl2_4H2O -9.02 -2.04 6.98 MgCl2:4H2O
Mirabilite -1.85 -3.09 -1.24 Na2SO4:10H2O
Misenite -69.58 -80.39 -10.81 K8H6(SO4)7
Nahcolite -3.31 -14.06 -10.74 NaHCO3
Natron -5.78 -6.60 -0.82 Na2CO3:10H2O
Nesquehonite -2.52 -7.69 -5.17 MgCO3:3H2O
Pentahydrite -2.93 -4.21 -1.28 MgSO4:5H2O
Pirssonite -5.65 -14.88 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -6.70 -20.44 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.57 -14.76 -5.19 Ca(OH)2
Schoenite -6.38 -10.71 -4.33 K2Mg(SO4)2:6H2O
Sylvite -3.06 -2.16 0.90 KCl
Syngenite -4.96 -11.39 -6.43 K2Ca(SO4)2:H2O
Thenardite -2.64 -2.94 -0.30 Na2SO4
Trona -9.15 -20.53 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 4.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
4.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.48 -4.73 -4.25 0.000e+00 0 0.000e+00
Bischofite -6.28 -1.68 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 2.765e-05
Calcite 0.00 -8.41 -8.41 2.893e-04 3.191e-04 2.979e-05
Carnallite -8.02 -3.60 4.42 0.000e+00 0 0.000e+00
Epsomite -2.25 -4.10 -1.85 0.000e+00 0 0.000e+00
Glauberite -2.03 -7.38 -5.35 0.000e+00 0 0.000e+00
Gypsum -0.17 -4.77 -4.60 0.000e+00 0 0.000e+00
Halite -1.71 -0.13 1.58 0.000e+00 0 0.000e+00
Hexahydrite -2.51 -4.08 -1.57 0.000e+00 0 0.000e+00
Kieserite -3.70 -3.97 -0.27 0.000e+00 0 0.000e+00
Polyhalite -5.93 -19.68 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.123e-03 4.401e-04
C 5.530e-04 1.146e-04
Ca 2.664e-02 5.522e-03
Cl 1.414e+00 2.930e-01
K 2.393e-02 4.960e-03
Mg 1.354e-01 2.807e-02
Na 1.227e+00 2.544e-01
S 7.367e-02 1.527e-02
----------------------------Description of solution----------------------------
pH = 7.710 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 111026
Density (g/cm³) = 1.06016
Volume (L) = 0.21331
Viscosity (mPa s) = 1.07286
Activity of water = 0.952
Ionic strength (mol/kgw) = 1.805e+00
Mass of water (kg) = 2.073e-01
Total alkalinity (eq/kg) = 5.877e-04
Total CO2 (mol/kg) = 5.530e-04
Temperature (°C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.36
Iterations = 9
Gamma iterations = 3
Osmotic coefficient = 0.94910
Density of water = 0.99704
Total H = 2.301313e+01
Total O = 1.156794e+01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.238e-06 4.940e-07 -5.907 -6.306 -0.399 -0.90
H+ 1.820e-08 1.950e-08 -7.740 -7.710 0.030 0.00
H2O 5.551e+01 9.516e-01 1.744 -0.022 0.000 18.07
Br 2.123e-03
Br- 2.123e-03 1.333e-03 -2.673 -2.875 -0.202 25.61
C(4) 5.530e-04
HCO3- 5.064e-04 2.392e-04 -3.295 -3.621 -0.326 28.42
MgCO3 2.004e-05 2.004e-05 -4.698 -4.698 0.000 -17.09
CO3-2 1.833e-05 5.618e-07 -4.737 -6.250 -1.514 2.22
CO2 8.248e-06 1.076e-05 -5.084 -4.968 0.115 34.43
Ca 2.664e-02
Ca+2 2.664e-02 6.991e-03 -1.575 -2.155 -0.581 -16.03
Cl 1.414e+00
Cl- 1.414e+00 8.154e-01 0.150 -0.089 -0.239 19.23
K 2.393e-02
K+ 2.393e-02 1.486e-02 -1.621 -1.828 -0.207 10.24
Mg 1.354e-01
Mg+2 1.354e-01 4.210e-02 -0.868 -1.376 -0.507 -19.72
MgCO3 2.004e-05 2.004e-05 -4.698 -4.698 0.000 -17.09
MgOH+ 3.294e-06 3.189e-06 -5.482 -5.496 -0.014 (0)
Na 1.227e+00
Na+ 1.227e+00 9.140e-01 0.089 -0.039 -0.128 0.06
S(6) 7.367e-02
SO4-2 7.367e-02 2.673e-03 -1.133 -2.573 -1.440 21.01
HSO4- 8.832e-09 5.066e-09 -8.054 -8.295 -0.241 41.36
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.48 -4.73 -4.25 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -4.35 -6.23 -1.88 K2SO4
Artinite -3.01 16.65 19.66 Mg2CO3(OH)2:3H2O
Bischofite -6.28 -1.68 4.59 MgCl2:6H2O
Bloedite -4.34 -6.69 -2.35 Na2Mg(SO4)2:4H2O
Brucite -3.11 -13.99 -10.88 Mg(OH)2
Burkeite -10.86 -11.63 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -8.02 -3.60 4.42 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 1.05 -16.03 -17.09 CaMg(CO3)2
Epsomite -2.25 -4.10 -1.85 MgSO4:7H2O
Gaylussite -5.42 -14.84 -9.42 CaNa2(CO3)2:5H2O
Glaserite -6.87 -10.67 -3.80 NaK3(SO4)2
Glauberite -2.03 -7.38 -5.35 Na2Ca(SO4)2
Goergeyite -0.52 -29.89 -29.37 K2Ca5(SO4)6H2O
Gypsum -0.17 -4.77 -4.60 CaSO4:2H2O
H2O(g) -1.52 -0.02 1.50 H2O
Halite -1.71 -0.13 1.58 NaCl
Hexahydrite -2.51 -4.08 -1.57 MgSO4:6H2O
Huntite -0.17 10.07 10.24 CaMg3(CO3)4
Kainite -5.74 -5.93 -0.19 KMgClSO4:3H2O
Kalicinite -5.85 -15.79 -9.94 KHCO3
Kieserite -3.70 -3.97 -0.27 MgSO4:H2O
Labile_S -4.40 -10.07 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -3.15 -4.04 -0.89 MgSO4:4H2O
Leonite -6.29 -10.26 -3.98 K2Mg(SO4)2:4H2O
Magnesite 0.21 -7.63 -7.83 MgCO3
MgCl2_2H2O -16.15 -1.60 14.56 MgCl2:2H2O
MgCl2_4H2O -8.62 -1.64 6.98 MgCl2:4H2O
Mirabilite -1.63 -2.87 -1.24 Na2SO4:10H2O
Misenite -68.09 -78.90 -10.81 K8H6(SO4)7
Nahcolite -3.26 -14.00 -10.74 NaHCO3
Natron -5.72 -6.54 -0.82 Na2CO3:10H2O
Nesquehonite -2.52 -7.69 -5.17 MgCO3:3H2O
Pentahydrite -2.77 -4.06 -1.28 MgSO4:5H2O
Pirssonite -5.54 -14.78 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -5.93 -19.68 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.58 -14.77 -5.19 Ca(OH)2
Schoenite -5.98 -10.31 -4.33 K2Mg(SO4)2:6H2O
Sylvite -2.82 -1.92 0.90 KCl
Syngenite -4.55 -10.98 -6.43 K2Ca(SO4)2:H2O
Thenardite -2.35 -2.65 -0.30 Na2SO4
Trona -8.99 -20.37 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 5.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
4.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.28 -4.53 -4.25 0.000e+00 0 0.000e+00
Bischofite -5.64 -1.05 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 2.369e-05
Calcite 0.00 -8.41 -8.41 3.191e-04 3.441e-04 2.495e-05
Carnallite -7.02 -2.60 4.42 0.000e+00 0 0.000e+00
Epsomite -2.04 -3.89 -1.85 0.000e+00 0 0.000e+00
Glauberite -1.42 -6.77 -5.35 0.000e+00 0 0.000e+00
Gypsum 0.00 -4.60 -4.60 0.000e+00 8.414e-04 8.414e-04
Halite -1.30 0.28 1.58 0.000e+00 0 0.000e+00
Hexahydrite -2.29 -3.85 -1.57 0.000e+00 0 0.000e+00
Kieserite -3.41 -3.68 -0.27 0.000e+00 0 0.000e+00
Polyhalite -4.92 -18.67 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 3.255e-03 4.401e-04
C 4.882e-04 6.601e-05
Ca 3.443e-02 4.656e-03
Cl 2.167e+00 2.930e-01
K 3.668e-02 4.960e-03
Mg 2.076e-01 2.807e-02
Na 1.881e+00 2.544e-01
S 1.067e-01 1.443e-02
----------------------------Description of solution----------------------------
pH = 7.595 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 149908
Density (g/cm³) = 1.09018
Volume (L) = 0.14120
Viscosity (mPa s) = 1.18620
Activity of water = 0.923
Ionic strength (mol/kgw) = 2.742e+00
Mass of water (kg) = 1.352e-01
Total alkalinity (eq/kg) = 5.320e-04
Total CO2 (mol/kg) = 4.882e-04
Temperature (°C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.36
Iterations = 12
Gamma iterations = 4
Osmotic coefficient = 1.00553
Density of water = 0.99704
Total H = 1.500977e+01
Total O = 7.562770e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.072e-06 3.672e-07 -5.970 -6.435 -0.465 0.41
H+ 1.756e-08 2.543e-08 -7.756 -7.595 0.161 0.00
H2O 5.551e+01 9.228e-01 1.744 -0.035 0.000 18.07
Br 3.255e-03
Br- 3.255e-03 2.105e-03 -2.487 -2.677 -0.189 25.81
C(4) 4.882e-04
HCO3- 4.370e-04 1.778e-04 -3.360 -3.750 -0.390 29.65
MgCO3 2.558e-05 2.558e-05 -4.592 -4.592 0.000 -17.09
CO3-2 1.848e-05 3.201e-07 -4.733 -6.495 -1.761 3.93
CO2 7.188e-06 1.076e-05 -5.143 -4.968 0.175 34.43
Ca 3.443e-02
Ca+2 3.443e-02 1.227e-02 -1.463 -1.911 -0.448 -15.60
Cl 2.167e+00
Cl- 2.167e+00 1.234e+00 0.336 0.091 -0.245 19.49
K 3.668e-02
K+ 3.668e-02 2.314e-02 -1.436 -1.636 -0.200 10.68
Mg 2.076e-01
Mg+2 2.076e-01 9.429e-02 -0.683 -1.026 -0.343 -19.25
MgCO3 2.558e-05 2.558e-05 -4.592 -4.592 0.000 -17.09
MgOH+ 5.826e-06 5.310e-06 -5.235 -5.275 -0.040 (0)
Na 1.881e+00
Na+ 1.881e+00 1.553e+00 0.274 0.191 -0.083 0.40
S(6) 1.067e-01
SO4-2 1.067e-01 2.402e-03 -0.972 -2.619 -1.648 22.52
HSO4- 1.096e-08 5.940e-09 -7.960 -8.226 -0.266 41.57
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.28 -4.53 -4.25 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -4.01 -5.89 -1.88 K2SO4
Artinite -2.85 16.81 19.66 Mg2CO3(OH)2:3H2O
Bischofite -5.64 -1.05 4.59 MgCl2:6H2O
Bloedite -3.67 -6.02 -2.35 Na2Mg(SO4)2:4H2O
Brucite -3.02 -13.90 -10.88 Mg(OH)2
Burkeite -9.81 -10.59 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -7.02 -2.60 4.42 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 1.16 -15.93 -17.09 CaMg(CO3)2
Epsomite -2.04 -3.89 -1.85 MgSO4:7H2O
Gaylussite -5.27 -14.69 -9.42 CaNa2(CO3)2:5H2O
Glaserite -6.15 -9.95 -3.80 NaK3(SO4)2
Glauberite -1.42 -6.77 -5.35 Na2Ca(SO4)2
Goergeyite 0.79 -28.58 -29.37 K2Ca5(SO4)6H2O
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2O(g) -1.54 -0.03 1.50 H2O
Halite -1.30 0.28 1.58 NaCl
Hexahydrite -2.29 -3.85 -1.57 MgSO4:6H2O
Huntite 0.15 10.39 10.24 CaMg3(CO3)4
Kainite -5.10 -5.29 -0.19 KMgClSO4:3H2O
Kalicinite -5.78 -15.72 -9.94 KHCO3
Kieserite -3.41 -3.68 -0.27 MgSO4:H2O
Labile_S -3.40 -9.07 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -2.90 -3.78 -0.89 MgSO4:4H2O
Leonite -5.70 -9.68 -3.98 K2Mg(SO4)2:4H2O
Magnesite 0.31 -7.52 -7.83 MgCO3
MgCl2_2H2O -15.47 -0.91 14.56 MgCl2:2H2O
MgCl2_4H2O -7.96 -0.98 6.98 MgCl2:4H2O
Mirabilite -1.35 -2.59 -1.24 Na2SO4:10H2O
Misenite -66.18 -76.99 -10.81 K8H6(SO4)7
Nahcolite -3.16 -13.90 -10.74 NaHCO3
Natron -5.64 -6.46 -0.82 Na2CO3:10H2O
Nesquehonite -2.46 -7.62 -5.17 MgCO3:3H2O
Pentahydrite -2.53 -3.82 -1.28 MgSO4:5H2O
Pirssonite -5.35 -14.59 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -4.92 -18.67 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.59 -14.78 -5.19 Ca(OH)2
Schoenite -5.42 -9.75 -4.33 K2Mg(SO4)2:6H2O
Sylvite -2.45 -1.54 0.90 KCl
Syngenite -4.03 -10.46 -6.43 K2Ca(SO4)2:H2O
Thenardite -1.94 -2.24 -0.30 Na2SO4
Trona -8.70 -20.08 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 6.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.27 -4.52 -4.25 0.000e+00 0 0.000e+00
Bischofite -5.41 -0.82 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 4.242e-06
Calcite 0.00 -8.41 -8.41 3.441e-04 3.479e-04 3.788e-06
Carnallite -6.65 -2.23 4.42 0.000e+00 0 0.000e+00
Epsomite -1.97 -3.82 -1.85 0.000e+00 0 0.000e+00
Glauberite -1.27 -6.62 -5.35 0.000e+00 0 0.000e+00
Gypsum 0.00 -4.60 -4.60 8.414e-04 1.656e-03 8.147e-04
Halite -1.15 0.43 1.58 0.000e+00 0 0.000e+00
Hexahydrite -2.21 -3.78 -1.57 0.000e+00 0 0.000e+00
Kieserite -3.31 -3.58 -0.27 0.000e+00 0 0.000e+00
Polyhalite -4.70 -18.44 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 3.757e-03 4.401e-04
C 4.949e-04 5.798e-05
Ca 3.275e-02 3.837e-03
Cl 2.501e+00 2.930e-01
K 4.233e-02 4.960e-03
Mg 2.396e-01 2.807e-02
Na 2.171e+00 2.544e-01
S 1.162e-01 1.361e-02
----------------------------Description of solution----------------------------
pH = 7.573 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 163840
Density (g/cm³) = 1.10237
Volume (L) = 0.12317
Viscosity (mPa s) = 1.23888
Activity of water = 0.909
Ionic strength (mol/kgw) = 3.136e+00
Mass of water (kg) = 1.172e-01
Total alkalinity (eq/kg) = 5.492e-04
Total CO2 (mol/kg) = 4.949e-04
Temperature (°C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.37
Iterations = 8
Gamma iterations = 3
Osmotic coefficient = 1.03331
Density of water = 0.99704
Total H = 1.300651e+01
Total O = 6.557862e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.059e-06 3.445e-07 -5.975 -6.463 -0.488 0.95
H+ 1.599e-08 2.671e-08 -7.796 -7.573 0.223 0.00
H2O 5.551e+01 9.093e-01 1.744 -0.041 0.000 18.07
Br 3.757e-03
Br- 3.757e-03 2.478e-03 -2.425 -2.606 -0.181 25.87
C(4) 4.949e-04
HCO3- 4.359e-04 1.669e-04 -3.361 -3.778 -0.417 30.12
MgCO3 3.208e-05 3.208e-05 -4.494 -4.494 0.000 -17.09
CO3-2 2.014e-05 2.860e-07 -4.696 -6.544 -1.848 4.58
CO2 6.781e-06 1.076e-05 -5.169 -4.968 0.201 34.43
Ca 3.275e-02
Ca+2 3.275e-02 1.373e-02 -1.485 -1.862 -0.377 -15.43
Cl 2.501e+00
Cl- 2.501e+00 1.427e+00 0.398 0.154 -0.244 19.58
K 4.233e-02
K+ 4.233e-02 2.714e-02 -1.373 -1.566 -0.193 10.86
Mg 2.396e-01
Mg+2 2.395e-01 1.324e-01 -0.621 -0.878 -0.258 -19.06
MgCO3 3.208e-05 3.208e-05 -4.494 -4.494 0.000 -17.09
MgOH+ 7.879e-06 6.995e-06 -5.104 -5.155 -0.052 (0)
Na 2.171e+00
Na+ 2.171e+00 1.894e+00 0.337 0.277 -0.059 0.52
S(6) 1.162e-01
SO4-2 1.162e-01 2.210e-03 -0.935 -2.656 -1.721 23.07
HSO4- 1.081e-08 5.739e-09 -7.966 -8.241 -0.275 41.65
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.27 -4.52 -4.25 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -3.91 -5.79 -1.88 K2SO4
Artinite -2.68 16.98 19.66 Mg2CO3(OH)2:3H2O
Bischofite -5.41 -0.82 4.59 MgCl2:6H2O
Bloedite -3.45 -5.80 -2.35 Na2Mg(SO4)2:4H2O
Brucite -2.92 -13.80 -10.88 Mg(OH)2
Burkeite -9.42 -10.19 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -6.65 -2.23 4.42 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 1.26 -15.83 -17.09 CaMg(CO3)2
Epsomite -1.97 -3.82 -1.85 MgSO4:7H2O
Gaylussite -5.18 -14.60 -9.42 CaNa2(CO3)2:5H2O
Glaserite -5.93 -9.73 -3.80 NaK3(SO4)2
Glauberite -1.27 -6.62 -5.35 Na2Ca(SO4)2
Goergeyite 0.95 -28.42 -29.37 K2Ca5(SO4)6H2O
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2O(g) -1.54 -0.04 1.50 H2O
Halite -1.15 0.43 1.58 NaCl
Hexahydrite -2.21 -3.78 -1.57 MgSO4:6H2O
Huntite 0.44 10.69 10.24 CaMg3(CO3)4
Kainite -4.88 -5.07 -0.19 KMgClSO4:3H2O
Kalicinite -5.74 -15.68 -9.94 KHCO3
Kieserite -3.31 -3.58 -0.27 MgSO4:H2O
Labile_S -3.13 -8.80 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -2.81 -3.70 -0.89 MgSO4:4H2O
Leonite -5.51 -9.49 -3.98 K2Mg(SO4)2:4H2O
Magnesite 0.41 -7.42 -7.83 MgCO3
MgCl2_2H2O -15.21 -0.65 14.56 MgCl2:2H2O
MgCl2_4H2O -7.71 -0.73 6.98 MgCl2:4H2O
Mirabilite -1.27 -2.51 -1.24 Na2SO4:10H2O
Misenite -65.75 -76.56 -10.81 K8H6(SO4)7
Nahcolite -3.10 -13.84 -10.74 NaHCO3
Natron -5.58 -6.40 -0.82 Na2CO3:10H2O
Nesquehonite -2.38 -7.55 -5.17 MgCO3:3H2O
Pentahydrite -2.46 -3.74 -1.28 MgSO4:5H2O
Pirssonite -5.24 -14.48 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -4.70 -18.44 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.60 -14.79 -5.19 Ca(OH)2
Schoenite -5.24 -9.57 -4.33 K2Mg(SO4)2:6H2O
Sylvite -2.31 -1.41 0.90 KCl
Syngenite -3.92 -10.35 -6.43 K2Ca(SO4)2:H2O
Thenardite -1.80 -2.10 -0.30 Na2SO4
Trona -8.53 -19.91 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 7.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.25 -4.50 -4.25 0.000e+00 0 0.000e+00
Bischofite -5.12 -0.52 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 4.321e-06
Calcite 0.00 -8.41 -8.41 3.479e-04 3.514e-04 3.525e-06
Carnallite -6.20 -1.78 4.42 0.000e+00 0 0.000e+00
Epsomite -1.89 -3.74 -1.85 0.000e+00 0 0.000e+00
Glauberite -1.08 -6.43 -5.35 0.000e+00 0 0.000e+00
Gypsum 0.00 -4.60 -4.60 1.656e-03 2.518e-03 8.618e-04
Halite -0.97 0.62 1.58 0.000e+00 0 0.000e+00
Hexahydrite -2.12 -3.69 -1.57 0.000e+00 0 0.000e+00
Kieserite -3.17 -3.43 -0.27 0.000e+00 0 0.000e+00
Polyhalite -4.40 -18.15 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 4.441e-03 4.401e-04
C 5.058e-04 5.014e-05
Ca 2.998e-02 2.972e-03
Cl 2.957e+00 2.930e-01
K 5.004e-02 4.960e-03
Mg 2.832e-01 2.807e-02
Na 2.566e+00 2.544e-01
S 1.287e-01 1.275e-02
----------------------------Description of solution----------------------------
pH = 7.546 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 180084
Density (g/cm³) = 1.11850
Volume (L) = 0.10515
Viscosity (mPa s) = 1.31587
Activity of water = 0.890
Ionic strength (mol/kgw) = 3.673e+00
Mass of water (kg) = 9.912e-02
Total alkalinity (eq/kg) = 5.781e-04
Total CO2 (mol/kg) = 5.058e-04
Temperature (°C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.37
Iterations = 8
Gamma iterations = 3
Osmotic coefficient = 1.07288
Density of water = 0.99704
Total H = 1.100306e+01
Total O = 5.552672e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.038e-06 3.165e-07 -5.984 -6.500 -0.516 1.67
H+ 1.396e-08 2.847e-08 -7.855 -7.546 0.310 0.00
H2O 5.551e+01 8.902e-01 1.744 -0.051 0.000 18.07
Br 4.441e-03
Br- 4.441e-03 3.024e-03 -2.353 -2.519 -0.167 25.96
C(4) 5.058e-04
HCO3- 4.339e-04 1.533e-04 -3.363 -3.815 -0.452 30.73
MgCO3 4.351e-05 4.351e-05 -4.361 -4.361 0.000 -17.09
CO3-2 2.218e-05 2.465e-07 -4.654 -6.608 -1.954 5.42
CO2 6.266e-06 1.076e-05 -5.203 -4.968 0.235 34.43
Ca 2.998e-02
Ca+2 2.998e-02 1.593e-02 -1.523 -1.798 -0.275 -15.20
Cl 2.957e+00
Cl- 2.957e+00 1.698e+00 0.471 0.230 -0.241 19.69
K 5.004e-02
K+ 5.004e-02 3.298e-02 -1.301 -1.482 -0.181 11.10
Mg 2.832e-01
Mg+2 2.832e-01 2.083e-01 -0.548 -0.681 -0.133 -18.81
MgCO3 4.351e-05 4.351e-05 -4.361 -4.361 0.000 -17.09
MgOH+ 1.184e-05 1.011e-05 -4.927 -4.995 -0.069 (0)
Na 2.566e+00
Na+ 2.566e+00 2.428e+00 0.409 0.385 -0.024 0.68
S(6) 1.287e-01
SO4-2 1.287e-01 1.987e-03 -0.891 -2.702 -1.811 23.77
HSO4- 1.065e-08 5.501e-09 -7.973 -8.260 -0.287 41.74
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.25 -4.50 -4.25 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -3.79 -5.67 -1.88 K2SO4
Artinite -2.45 17.21 19.66 Mg2CO3(OH)2:3H2O
Bischofite -5.12 -0.52 4.59 MgCl2:6H2O
Bloedite -3.17 -5.52 -2.35 Na2Mg(SO4)2:4H2O
Brucite -2.80 -13.68 -10.88 Mg(OH)2
Burkeite -8.93 -9.70 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -6.20 -1.78 4.42 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 1.39 -15.70 -17.09 CaMg(CO3)2
Epsomite -1.89 -3.74 -1.85 MgSO4:7H2O
Gaylussite -5.08 -14.50 -9.42 CaNa2(CO3)2:5H2O
Glaserite -5.66 -9.46 -3.80 NaK3(SO4)2
Glauberite -1.08 -6.43 -5.35 Na2Ca(SO4)2
Goergeyite 1.16 -28.21 -29.37 K2Ca5(SO4)6H2O
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2O(g) -1.55 -0.05 1.50 H2O
Halite -0.97 0.62 1.58 NaCl
Hexahydrite -2.12 -3.69 -1.57 MgSO4:6H2O
Huntite 0.84 11.08 10.24 CaMg3(CO3)4
Kainite -4.59 -4.79 -0.19 KMgClSO4:3H2O
Kalicinite -5.70 -15.64 -9.94 KHCO3
Kieserite -3.17 -3.43 -0.27 MgSO4:H2O
Labile_S -2.79 -8.46 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -2.70 -3.59 -0.89 MgSO4:4H2O
Leonite -5.27 -9.25 -3.98 K2Mg(SO4)2:4H2O
Magnesite 0.54 -7.29 -7.83 MgCO3
MgCl2_2H2O -14.88 -0.32 14.56 MgCl2:2H2O
MgCl2_4H2O -7.40 -0.42 6.98 MgCl2:4H2O
Mirabilite -1.20 -2.44 -1.24 Na2SO4:10H2O
Misenite -65.23 -76.04 -10.81 K8H6(SO4)7
Nahcolite -3.03 -13.77 -10.74 NaHCO3
Natron -5.52 -6.34 -0.82 Na2CO3:10H2O
Nesquehonite -2.27 -7.44 -5.17 MgCO3:3H2O
Pentahydrite -2.35 -3.64 -1.28 MgSO4:5H2O
Pirssonite -5.11 -14.34 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -4.40 -18.15 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.61 -14.80 -5.19 Ca(OH)2
Schoenite -5.02 -9.35 -4.33 K2Mg(SO4)2:6H2O
Sylvite -2.15 -1.25 0.90 KCl
Syngenite -3.79 -10.22 -6.43 K2Ca(SO4)2:H2O
Thenardite -1.63 -1.93 -0.30 Na2SO4
Trona -8.32 -19.71 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 8.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.22 -4.47 -4.25 0.000e+00 0 0.000e+00
Bischofite -4.74 -0.14 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 4.454e-06
Calcite 0.00 -8.41 -8.41 3.514e-04 3.542e-04 2.799e-06
Carnallite -5.62 -1.19 4.42 0.000e+00 0 0.000e+00
Epsomite -1.77 -3.62 -1.85 0.000e+00 0 0.000e+00
Glauberite -0.83 -6.18 -5.35 0.000e+00 0 0.000e+00
Gypsum 0.00 -4.60 -4.60 2.518e-03 3.413e-03 8.953e-04
Halite -0.73 0.85 1.58 0.000e+00 0 0.000e+00
Hexahydrite -1.99 -3.55 -1.57 0.000e+00 0 0.000e+00
Kieserite -2.96 -3.23 -0.27 0.000e+00 0 0.000e+00
Polyhalite -4.00 -17.74 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 5.429e-03 4.401e-04
C 5.290e-04 4.288e-05
Ca 2.558e-02 2.074e-03
Cl 3.615e+00 2.930e-01
K 6.118e-02 4.960e-03
Mg 3.463e-01 2.807e-02
Na 3.138e+00 2.544e-01
S 1.463e-01 1.186e-02
----------------------------Description of solution----------------------------
pH = 7.508 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 198480
Density (g/cm³) = 1.14090
Volume (L) = 0.08716
Viscosity (mPa s) = 1.43861
Activity of water = 0.861
Ionic strength (mol/kgw) = 4.446e+00
Mass of water (kg) = 8.107e-02
Total alkalinity (eq/kg) = 6.378e-04
Total CO2 (mol/kg) = 5.290e-04
Temperature (°C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.37
Iterations = 9
Gamma iterations = 4
Osmotic coefficient = 1.13296
Density of water = 0.99704
Total H = 8.999481e+00
Total O = 4.547283e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.005e-06 2.808e-07 -5.998 -6.552 -0.554 2.70
H+ 1.130e-08 3.103e-08 -7.947 -7.508 0.439 0.00
H2O 5.551e+01 8.609e-01 1.744 -0.065 0.000 18.07
Br 5.429e-03
Br- 5.429e-03 3.898e-03 -2.265 -2.409 -0.144 26.06
C(4) 5.290e-04
HCO3- 4.312e-04 1.360e-04 -3.365 -3.866 -0.501 31.55
MgCO3 6.746e-05 6.746e-05 -4.171 -4.171 0.000 -17.09
CO3-2 2.470e-05 2.007e-07 -4.607 -6.698 -2.090 6.55
CO2 5.592e-06 1.076e-05 -5.252 -4.968 0.284 34.43
Ca 2.558e-02
Ca+2 2.558e-02 1.957e-02 -1.592 -1.708 -0.116 -14.89
Cl 3.615e+00
Cl- 3.615e+00 2.110e+00 0.558 0.324 -0.234 19.84
K 6.118e-02
K+ 6.118e-02 4.233e-02 -1.213 -1.373 -0.160 11.44
Mg 3.463e-01
Mg+2 3.462e-01 3.968e-01 -0.461 -0.401 0.059 -18.46
MgCO3 6.746e-05 6.746e-05 -4.171 -4.171 0.000 -17.09
MgOH+ 2.123e-05 1.709e-05 -4.673 -4.767 -0.094 (0)
Na 3.138e+00
Na+ 3.138e+00 3.377e+00 0.497 0.529 0.032 0.88
S(6) 1.463e-01
SO4-2 1.463e-01 1.730e-03 -0.835 -2.762 -1.927 24.69
HSO4- 1.049e-08 5.218e-09 -7.979 -8.282 -0.303 41.85
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.22 -4.47 -4.25 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -3.63 -5.51 -1.88 K2SO4
Artinite -2.13 17.53 19.66 Mg2CO3(OH)2:3H2O
Bischofite -4.74 -0.14 4.59 MgCl2:6H2O
Bloedite -2.78 -5.13 -2.35 Na2Mg(SO4)2:4H2O
Brucite -2.62 -13.50 -10.88 Mg(OH)2
Burkeite -8.28 -9.05 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -5.62 -1.19 4.42 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 1.58 -15.50 -17.09 CaMg(CO3)2
Epsomite -1.77 -3.62 -1.85 MgSO4:7H2O
Gaylussite -4.95 -14.37 -9.42 CaNa2(CO3)2:5H2O
Glaserite -5.31 -9.12 -3.80 NaK3(SO4)2
Glauberite -0.83 -6.18 -5.35 Na2Ca(SO4)2
Goergeyite 1.44 -27.93 -29.37 K2Ca5(SO4)6H2O
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2O(g) -1.57 -0.07 1.50 H2O
Halite -0.73 0.85 1.58 NaCl
Hexahydrite -1.99 -3.55 -1.57 MgSO4:6H2O
Huntite 1.41 11.65 10.24 CaMg3(CO3)4
Kainite -4.21 -4.41 -0.19 KMgClSO4:3H2O
Kalicinite -5.64 -15.58 -9.94 KHCO3
Kieserite -2.96 -3.23 -0.27 MgSO4:H2O
Labile_S -2.34 -8.01 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -2.54 -3.42 -0.89 MgSO4:4H2O
Leonite -4.95 -8.93 -3.98 K2Mg(SO4)2:4H2O
Magnesite 0.73 -7.10 -7.83 MgCO3
MgCl2_2H2O -14.44 0.12 14.56 MgCl2:2H2O
MgCl2_4H2O -6.99 -0.01 6.98 MgCl2:4H2O
Mirabilite -1.12 -2.36 -1.24 Na2SO4:10H2O
Misenite -64.56 -75.37 -10.81 K8H6(SO4)7
Nahcolite -2.94 -13.68 -10.74 NaHCO3
Natron -5.47 -6.29 -0.82 Na2CO3:10H2O
Nesquehonite -2.13 -7.29 -5.17 MgCO3:3H2O
Pentahydrite -2.20 -3.49 -1.28 MgSO4:5H2O
Pirssonite -4.94 -14.18 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -4.00 -17.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.62 -14.81 -5.19 Ca(OH)2
Schoenite -4.73 -9.06 -4.33 K2Mg(SO4)2:6H2O
Sylvite -1.95 -1.05 0.90 KCl
Syngenite -3.61 -10.04 -6.43 K2Ca(SO4)2:H2O
Thenardite -1.40 -1.70 -0.30 Na2SO4
Trona -8.06 -19.45 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 9.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.17 -4.42 -4.25 0.000e+00 0 0.000e+00
Bischofite -4.20 0.39 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 4.898e-06
Calcite 0.00 -8.41 -8.41 3.542e-04 3.546e-04 3.607e-07
Carnallite -4.81 -0.39 4.42 0.000e+00 0 0.000e+00
Epsomite -1.60 -3.45 -1.85 0.000e+00 0 0.000e+00
Glauberite -0.44 -5.79 -5.35 0.000e+00 0 0.000e+00
Gypsum 0.00 -4.60 -4.60 3.413e-03 4.292e-03 8.790e-04
Halite -0.40 1.19 1.58 0.000e+00 0 0.000e+00
Hexahydrite -1.79 -3.35 -1.57 0.000e+00 0 0.000e+00
Kieserite -2.63 -2.90 -0.27 0.000e+00 0 0.000e+00
Polyhalite -3.38 -17.12 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 6.984e-03 4.401e-04
C 5.970e-04 3.762e-05
Ca 1.895e-02 1.194e-03
Cl 4.650e+00 2.930e-01
K 7.870e-02 4.960e-03
Mg 4.454e-01 2.807e-02
Na 4.036e+00 2.544e-01
S 1.742e-01 1.098e-02
----------------------------Description of solution----------------------------
pH = 7.454 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 217055
Density (g/cm³) = 1.17419
Volume (L) = 0.06922
Viscosity (mPa s) = 1.66275
Activity of water = 0.811
Ionic strength (mol/kgw) = 5.663e+00
Mass of water (kg) = 6.302e-02
Total alkalinity (eq/kg) = 8.090e-04
Total CO2 (mol/kg) = 5.970e-04
Temperature (°C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.37
Iterations = 11
Gamma iterations = 4
Osmotic coefficient = 1.23315
Density of water = 0.99704
Total H = 6.995965e+00
Total O = 3.541998e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 9.515e-07 2.335e-07 -6.022 -6.632 -0.610 4.28
H+ 7.896e-09 3.517e-08 -8.103 -7.454 0.649 0.00
H2O 5.551e+01 8.113e-01 1.744 -0.091 0.000 18.07
Br 6.984e-03
Br- 6.984e-03 5.510e-03 -2.156 -2.259 -0.103 26.19
C(4) 5.970e-04
HCO3- 4.295e-04 1.131e-04 -3.367 -3.947 -0.580 32.75
MgCO3 1.353e-04 1.353e-04 -3.869 -3.869 0.000 -17.09
CO3-2 2.762e-05 1.472e-07 -4.559 -6.832 -2.273 8.20
CO2 4.677e-06 1.076e-05 -5.330 -4.968 0.362 34.43
Ca 1.895e-02
Ca+2 1.895e-02 2.667e-02 -1.722 -1.574 0.148 -14.41
Cl 4.650e+00
Cl- 4.650e+00 2.815e+00 0.667 0.450 -0.218 20.04
K 7.870e-02
K+ 7.870e-02 5.966e-02 -1.104 -1.224 -0.120 11.98
Mg 4.454e-01
Mg+2 4.452e-01 1.084e+00 -0.351 0.035 0.386 -17.92
MgCO3 1.353e-04 1.353e-04 -3.869 -3.869 0.000 -17.09
MgOH+ 5.280e-05 3.883e-05 -4.277 -4.411 -0.134 (0)
Na 4.036e+00
Na+ 4.036e+00 5.442e+00 0.606 0.736 0.130 1.18
S(6) 1.742e-01
SO4-2 1.742e-01 1.429e-03 -0.759 -2.845 -2.086 25.99
HSO4- 1.044e-08 4.886e-09 -7.981 -8.311 -0.330 42.00
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.17 -4.42 -4.25 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -3.41 -5.29 -1.88 K2SO4
Artinite -1.63 18.03 19.66 Mg2CO3(OH)2:3H2O
Bischofite -4.20 0.39 4.59 MgCl2:6H2O
Bloedite -2.20 -4.55 -2.35 Na2Mg(SO4)2:4H2O
Brucite -2.35 -13.23 -10.88 Mg(OH)2
Burkeite -7.34 -8.11 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -4.81 -0.39 4.42 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 1.88 -15.20 -17.09 CaMg(CO3)2
Epsomite -1.60 -3.45 -1.85 MgSO4:7H2O
Gaylussite -4.80 -14.22 -9.42 CaNa2(CO3)2:5H2O
Glaserite -4.82 -8.63 -3.80 NaK3(SO4)2
Glauberite -0.44 -5.79 -5.35 Na2Ca(SO4)2
Goergeyite 1.89 -27.48 -29.37 K2Ca5(SO4)6H2O
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2O(g) -1.59 -0.09 1.50 H2O
Halite -0.40 1.19 1.58 NaCl
Hexahydrite -1.79 -3.35 -1.57 MgSO4:6H2O
Huntite 2.32 12.56 10.24 CaMg3(CO3)4
Kainite -3.66 -3.86 -0.19 KMgClSO4:3H2O
Kalicinite -5.57 -15.51 -9.94 KHCO3
Kieserite -2.63 -2.90 -0.27 MgSO4:H2O
Labile_S -1.68 -7.35 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -2.29 -3.17 -0.89 MgSO4:4H2O
Leonite -4.49 -8.47 -3.98 K2Mg(SO4)2:4H2O
Magnesite 1.04 -6.80 -7.83 MgCO3
MgCl2_2H2O -13.80 0.75 14.56 MgCl2:2H2O
MgCl2_4H2O -6.41 0.57 6.98 MgCl2:4H2O
Mirabilite -1.04 -2.28 -1.24 Na2SO4:10H2O
Misenite -63.63 -74.43 -10.81 K8H6(SO4)7
Nahcolite -2.81 -13.55 -10.74 NaHCO3
Natron -5.44 -6.27 -0.82 Na2CO3:10H2O
Nesquehonite -1.90 -7.07 -5.17 MgCO3:3H2O
Pentahydrite -1.98 -3.26 -1.28 MgSO4:5H2O
Pirssonite -4.71 -13.95 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -3.38 -17.12 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.65 -14.84 -5.19 Ca(OH)2
Schoenite -4.32 -8.65 -4.33 K2Mg(SO4)2:6H2O
Sylvite -1.68 -0.77 0.90 KCl
Syngenite -3.37 -9.80 -6.43 K2Ca(SO4)2:H2O
Thenardite -1.07 -1.37 -0.30 Na2SO4
Trona -7.71 -19.09 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 10.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.09 -4.34 -4.25 0.000e+00 0 0.000e+00
Bischofite -3.53 1.06 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 6.795e-06
Calcite 0.00 -8.41 -8.41 3.546e-04 3.502e-04 -4.331e-06
Carnallite -3.79 0.64 4.42 0.000e+00 0 0.000e+00
Epsomite -1.40 -3.25 -1.85 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.35 -5.35 0.000e+00 1.741e-03 1.741e-03
Gypsum 0.00 -4.60 -4.60 4.292e-03 3.159e-03 -1.133e-03
Halite 0.00 1.58 1.58 0.000e+00 2.037e-02 2.037e-02
Hexahydrite -1.55 -3.12 -1.57 0.000e+00 0 0.000e+00
Kieserite -2.19 -2.46 -0.27 0.000e+00 0 0.000e+00
Polyhalite -2.55 -16.29 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 9.771e-03 4.401e-04
C 7.806e-04 3.516e-05
Ca 1.312e-02 5.911e-04
Cl 6.054e+00 2.727e-01
K 1.101e-01 4.960e-03
Mg 6.232e-01 2.807e-02
Na 5.118e+00 2.305e-01
S 1.916e-01 8.630e-03
----------------------------Description of solution----------------------------
pH = 7.359 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 226285
Density (g/cm³) = 1.21418
Volume (L) = 0.05088
Viscosity (mPa s) = 2.03044
Activity of water = 0.739
Ionic strength (mol/kgw) = 7.301e+00
Mass of water (kg) = 4.504e-02
Total alkalinity (eq/kg) = 1.324e-03
Total CO2 (mol/kg) = 7.806e-04
Temperature (°C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.40
Iterations = 15
Gamma iterations = 5
Osmotic coefficient = 1.38500
Density of water = 0.99704
Total H = 5.000497e+00
Total O = 2.534870e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 8.599e-07 1.709e-07 -6.066 -6.767 -0.702 6.37
H+ 4.963e-09 4.376e-08 -8.304 -7.359 0.945 0.00
H2O 5.551e+01 7.390e-01 1.744 -0.131 0.000 18.07
Br 9.771e-03
Br- 9.771e-03 8.918e-03 -2.010 -2.050 -0.040 26.32
C(4) 7.806e-04
HCO3- 4.097e-04 8.278e-05 -3.388 -4.082 -0.694 34.23
MgCO3 3.391e-04 3.391e-04 -3.470 -3.470 0.000 -17.09
CO3-2 2.809e-05 8.661e-08 -4.551 -7.062 -2.511 10.23
CO2 3.700e-06 1.076e-05 -5.432 -4.968 0.464 34.43
Ca 1.312e-02
Ca+2 1.312e-02 4.534e-02 -1.882 -1.344 0.538 -13.78
Cl 6.054e+00
Cl- 6.054e+00 3.896e+00 0.782 0.591 -0.191 20.28
K 1.101e-01
K+ 1.101e-01 9.697e-02 -0.958 -1.013 -0.055 12.69
Mg 6.232e-01
Mg+2 6.227e-01 4.620e+00 -0.206 0.665 0.870 -17.21
MgCO3 3.391e-04 3.391e-04 -3.470 -3.470 0.000 -17.09
MgOH+ 1.792e-04 1.211e-04 -3.747 -3.917 -0.170 (0)
Na 5.118e+00
Na+ 5.118e+00 9.795e+00 0.709 0.991 0.282 1.53
S(6) 1.916e-01
SO4-2 1.916e-01 1.013e-03 -0.718 -2.994 -2.277 27.52
HSO4- 9.849e-09 4.310e-09 -8.007 -8.365 -0.359 42.17
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.09 -4.34 -4.25 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -3.14 -5.02 -1.88 K2SO4
Artinite -0.99 18.67 19.66 Mg2CO3(OH)2:3H2O
Bischofite -3.53 1.06 4.59 MgCl2:6H2O
Bloedite -1.52 -3.87 -2.35 Na2Mg(SO4)2:4H2O
Brucite -1.99 -12.87 -10.88 Mg(OH)2
Burkeite -6.33 -7.11 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -3.79 0.64 4.42 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 2.28 -14.80 -17.09 CaMg(CO3)2
Epsomite -1.40 -3.25 -1.85 MgSO4:7H2O
Gaylussite -4.72 -14.14 -9.42 CaNa2(CO3)2:5H2O
Glaserite -4.23 -8.04 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.35 -5.35 Na2Ca(SO4)2
Goergeyite 2.53 -26.84 -29.37 K2Ca5(SO4)6H2O
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2O(g) -1.63 -0.13 1.50 H2O
Halite 0.00 1.58 1.58 NaCl
Hexahydrite -1.55 -3.12 -1.57 MgSO4:6H2O
Huntite 3.52 13.76 10.24 CaMg3(CO3)4
Kainite -2.95 -3.15 -0.19 KMgClSO4:3H2O
Kalicinite -5.49 -15.43 -9.94 KHCO3
Kieserite -2.19 -2.46 -0.27 MgSO4:H2O
Labile_S -0.95 -6.63 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -1.97 -2.86 -0.89 MgSO4:4H2O
Leonite -3.90 -7.88 -3.98 K2Mg(SO4)2:4H2O
Magnesite 1.44 -6.40 -7.83 MgCO3
MgCl2_2H2O -12.97 1.58 14.56 MgCl2:2H2O
MgCl2_4H2O -5.66 1.32 6.98 MgCl2:4H2O
Mirabilite -1.09 -2.33 -1.24 Na2SO4:10H2O
Misenite -62.41 -73.22 -10.81 K8H6(SO4)7
Nahcolite -2.69 -13.43 -10.74 NaHCO3
Natron -5.57 -6.39 -0.82 Na2CO3:10H2O
Nesquehonite -1.62 -6.79 -5.17 MgCO3:3H2O
Pentahydrite -1.70 -2.99 -1.28 MgSO4:5H2O
Pirssonite -4.52 -13.75 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -2.55 -16.29 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.69 -14.88 -5.19 Ca(OH)2
Schoenite -3.81 -8.14 -4.33 K2Mg(SO4)2:6H2O
Sylvite -1.32 -0.42 0.90 KCl
Syngenite -3.06 -9.49 -6.43 K2Ca(SO4)2:H2O
Thenardite -0.71 -1.01 -0.30 Na2SO4
Trona -7.39 -18.77 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 11.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.07 -4.33 -4.25 0.000e+00 0 0.000e+00
Bischofite -3.22 1.38 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 3.557e-06
Calcite 0.00 -8.41 -8.41 3.502e-04 3.476e-04 -2.664e-06
Carnallite -3.21 1.21 4.42 0.000e+00 0 0.000e+00
Epsomite -1.10 -2.95 -1.85 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.35 -5.35 1.741e-03 3.813e-03 2.072e-03
Gypsum 0.00 -4.60 -4.60 3.159e-03 1.380e-03 -1.779e-03
Halite 0.00 1.58 1.58 2.037e-02 1.278e-01 1.074e-01
Hexahydrite -1.24 -2.81 -1.57 0.000e+00 0 0.000e+00
Kieserite -1.86 -2.12 -0.27 0.000e+00 0 0.000e+00
Polyhalite -1.68 -15.43 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.625e-02 4.401e-04
C 1.265e-03 3.427e-05
Ca 1.108e-02 3.003e-04
Cl 6.100e+00 1.653e-01
K 1.831e-01 4.960e-03
Mg 1.036e+00 2.807e-02
Na 4.391e+00 1.190e-01
S 2.312e-01 6.265e-03
----------------------------Description of solution----------------------------
pH = 7.364 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 214294
Density (g/cm³) = 1.21997
Volume (L) = 0.03050
Viscosity (mPa s) = 2.19748
Activity of water = 0.729
Ionic strength (mol/kgw) = 7.901e+00
Mass of water (kg) = 2.709e-02
Total alkalinity (eq/kg) = 2.398e-03
Total CO2 (mol/kg) = 1.265e-03
Temperature (°C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.66
Iterations = 12
Gamma iterations = 4
Osmotic coefficient = 1.46453
Density of water = 0.99704
Total H = 3.007612e+00
Total O = 1.528966e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.191e-06 1.707e-07 -5.924 -6.768 -0.844 7.13
H+ 4.298e-09 4.324e-08 -8.367 -7.364 1.003 0.00
H2O 5.551e+01 7.292e-01 1.744 -0.137 0.000 18.07
Br 1.625e-02
Br- 1.625e-02 1.601e-02 -1.789 -1.796 -0.006 26.36
C(4) 1.265e-03
MgCO3 7.273e-04 7.273e-04 -3.138 -3.138 0.000 -17.09
HCO3- 4.786e-04 8.267e-05 -3.320 -4.083 -0.763 34.75
CO3-2 5.529e-05 8.754e-08 -4.257 -7.058 -2.800 10.93
CO2 3.559e-06 1.076e-05 -5.449 -4.968 0.481 34.43
Ca 1.108e-02
Ca+2 1.108e-02 4.486e-02 -1.955 -1.348 0.607 -13.55
Cl 6.100e+00
Cl- 6.100e+00 4.023e+00 0.785 0.605 -0.181 20.35
K 1.831e-01
K+ 1.831e-01 1.708e-01 -0.737 -0.767 -0.030 12.95
Mg 1.036e+00
Mg+2 1.035e+00 9.805e+00 0.015 0.991 0.977 -16.95
MgCO3 7.273e-04 7.273e-04 -3.138 -3.138 0.000 -17.09
MgOH+ 3.531e-04 2.567e-04 -3.452 -3.591 -0.138 (0)
Na 4.391e+00
Na+ 4.391e+00 9.485e+00 0.643 0.977 0.334 1.64
S(6) 2.312e-01
SO4-2 2.312e-01 1.052e-03 -0.636 -2.978 -2.342 28.04
HSO4- 8.454e-09 4.421e-09 -8.073 -8.354 -0.281 42.22
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.07 -4.33 -4.25 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -2.63 -4.51 -1.88 K2SO4
Artinite -0.35 19.31 19.66 Mg2CO3(OH)2:3H2O
Bischofite -3.22 1.38 4.59 MgCl2:6H2O
Bloedite -1.21 -3.56 -2.35 Na2Mg(SO4)2:4H2O
Brucite -1.66 -12.54 -10.88 Mg(OH)2
Burkeite -6.38 -7.15 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -3.21 1.21 4.42 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 2.61 -14.47 -17.09 CaMg(CO3)2
Epsomite -1.10 -2.95 -1.85 MgSO4:7H2O
Gaylussite -4.77 -14.20 -9.42 CaNa2(CO3)2:5H2O
Glaserite -3.48 -7.28 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.35 -5.35 Na2Ca(SO4)2
Goergeyite 3.09 -26.28 -29.37 K2Ca5(SO4)6H2O
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2O(g) -1.64 -0.14 1.50 H2O
Halite 0.00 1.58 1.58 NaCl
Hexahydrite -1.24 -2.81 -1.57 MgSO4:6H2O
Huntite 4.51 14.75 10.24 CaMg3(CO3)4
Kainite -2.37 -2.56 -0.19 KMgClSO4:3H2O
Kalicinite -5.25 -15.19 -9.94 KHCO3
Kieserite -1.86 -2.12 -0.27 MgSO4:H2O
Labile_S -0.98 -6.65 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -1.65 -2.54 -0.89 MgSO4:4H2O
Leonite -3.07 -7.05 -3.98 K2Mg(SO4)2:4H2O
Magnesite 1.77 -6.07 -7.83 MgCO3
MgCl2_2H2O -12.63 1.93 14.56 MgCl2:2H2O
MgCl2_4H2O -5.33 1.65 6.98 MgCl2:4H2O
Mirabilite -1.16 -2.40 -1.24 Na2SO4:10H2O
Misenite -60.36 -71.17 -10.81 K8H6(SO4)7
Nahcolite -2.70 -13.44 -10.74 NaHCO3
Natron -5.65 -6.48 -0.82 Na2CO3:10H2O
Nesquehonite -1.31 -6.48 -5.17 MgCO3:3H2O
Pentahydrite -1.39 -2.67 -1.28 MgSO4:5H2O
Pirssonite -4.55 -13.78 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -1.68 -15.43 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.69 -14.88 -5.19 Ca(OH)2
Schoenite -2.99 -7.32 -4.33 K2Mg(SO4)2:6H2O
Sylvite -1.06 -0.16 0.90 KCl
Syngenite -2.55 -8.98 -6.43 K2Ca(SO4)2:H2O
Thenardite -0.72 -1.02 -0.30 Na2SO4
Trona -7.44 -18.82 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 12.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
2.500e-01 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.07 -4.32 -4.25 0.000e+00 0 0.000e+00
Bischofite -3.08 1.51 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 1.076e-06
Calcite 0.00 -8.41 -8.41 3.476e-04 3.446e-04 -2.976e-06
Carnallite -2.98 1.45 4.42 0.000e+00 0 0.000e+00
Epsomite -0.98 -2.83 -1.85 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.35 -5.35 3.813e-03 4.231e-03 4.185e-04
Gypsum 0.00 -4.60 -4.60 1.380e-03 1.036e-03 -3.441e-04
Halite 0.00 1.58 1.58 1.278e-01 1.545e-01 2.675e-02
Hexahydrite -1.12 -2.68 -1.57 0.000e+00 0 0.000e+00
Kieserite -1.71 -1.98 -0.27 0.000e+00 0 0.000e+00
Polyhalite -1.34 -15.08 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.947e-02 4.401e-04
C 1.600e-03 3.617e-05
Ca 1.013e-02 2.289e-04
Cl 6.129e+00 1.385e-01
K 2.195e-01 4.960e-03
Mg 1.242e+00 2.807e-02
Na 4.043e+00 9.138e-02
S 2.554e-01 5.772e-03
----------------------------Description of solution----------------------------
pH = 7.367 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 207974
Density (g/cm³) = 1.22336
Volume (L) = 0.02541
Viscosity (mPa s) = 2.29973
Activity of water = 0.724
Ionic strength (mol/kgw) = 8.219e+00
Mass of water (kg) = 2.260e-02
Total alkalinity (eq/kg) = 3.138e-03
Total CO2 (mol/kg) = 1.600e-03
Temperature (°C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.78
Iterations = 9
Gamma iterations = 3
Osmotic coefficient = 1.50717
Density of water = 0.99704
Total H = 2.508989e+00
Total O = 1.277689e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.396e-06 1.704e-07 -5.855 -6.768 -0.913 7.53
H+ 3.969e-09 4.297e-08 -8.401 -7.367 1.035 0.00
H2O 5.551e+01 7.235e-01 1.744 -0.141 0.000 18.07
Br 1.947e-02
Br- 1.947e-02 1.992e-02 -1.711 -1.701 0.010 26.38
C(4) 1.600e-03
MgCO3 1.000e-03 1.000e-03 -3.000 -3.000 0.000 -17.09
HCO3- 5.199e-04 8.253e-05 -3.284 -4.083 -0.799 35.01
CO3-2 7.672e-05 8.794e-08 -4.115 -7.056 -2.941 11.30
CO2 3.479e-06 1.076e-05 -5.458 -4.968 0.490 34.43
Ca 1.013e-02
Ca+2 1.013e-02 4.466e-02 -1.994 -1.350 0.644 -13.43
Cl 6.129e+00
Cl- 6.129e+00 4.096e+00 0.787 0.612 -0.175 20.39
K 2.195e-01
K+ 2.195e-01 2.113e-01 -0.659 -0.675 -0.016 13.09
Mg 1.242e+00
Mg+2 1.241e+00 1.342e+01 0.094 1.128 1.034 -16.82
MgCO3 1.000e-03 1.000e-03 -3.000 -3.000 0.000 -17.09
MgOH+ 4.630e-04 3.508e-04 -3.334 -3.455 -0.121 (0)
Na 4.043e+00
Na+ 4.043e+00 9.316e+00 0.607 0.969 0.362 1.71
S(6) 2.554e-01
SO4-2 2.554e-01 1.073e-03 -0.593 -2.969 -2.376 28.31
HSO4- 7.870e-09 4.484e-09 -8.104 -8.348 -0.244 42.24
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.07 -4.32 -4.25 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -2.44 -4.32 -1.88 K2SO4
Artinite -0.09 19.57 19.66 Mg2CO3(OH)2:3H2O
Bischofite -3.08 1.51 4.59 MgCl2:6H2O
Bloedite -1.09 -3.43 -2.35 Na2Mg(SO4)2:4H2O
Brucite -1.53 -12.41 -10.88 Mg(OH)2
Burkeite -6.41 -7.18 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -2.98 1.45 4.42 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 2.75 -14.33 -17.09 CaMg(CO3)2
Epsomite -0.98 -2.83 -1.85 MgSO4:7H2O
Gaylussite -4.81 -14.23 -9.42 CaNa2(CO3)2:5H2O
Glaserite -3.19 -6.99 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.35 -5.35 Na2Ca(SO4)2
Goergeyite 3.31 -26.06 -29.37 K2Ca5(SO4)6H2O
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2O(g) -1.64 -0.14 1.50 H2O
Halite 0.00 1.58 1.58 NaCl
Hexahydrite -1.12 -2.68 -1.57 MgSO4:6H2O
Huntite 4.92 15.17 10.24 CaMg3(CO3)4
Kainite -2.13 -2.33 -0.19 KMgClSO4:3H2O
Kalicinite -5.16 -15.10 -9.94 KHCO3
Kieserite -1.71 -1.98 -0.27 MgSO4:H2O
Labile_S -0.99 -6.66 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -1.52 -2.40 -0.89 MgSO4:4H2O
Leonite -2.74 -6.72 -3.98 K2Mg(SO4)2:4H2O
Magnesite 1.91 -5.93 -7.83 MgCO3
MgCl2_2H2O -12.49 2.07 14.56 MgCl2:2H2O
MgCl2_4H2O -5.19 1.79 6.98 MgCl2:4H2O
Mirabilite -1.20 -2.44 -1.24 Na2SO4:10H2O
Misenite -59.58 -70.39 -10.81 K8H6(SO4)7
Nahcolite -2.71 -13.45 -10.74 NaHCO3
Natron -5.70 -6.52 -0.82 Na2CO3:10H2O
Nesquehonite -1.18 -6.35 -5.17 MgCO3:3H2O
Pentahydrite -1.26 -2.54 -1.28 MgSO4:5H2O
Pirssonite -4.57 -13.80 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -1.34 -15.08 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.70 -14.89 -5.19 Ca(OH)2
Schoenite -2.68 -7.00 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.96 -0.06 0.90 KCl
Syngenite -2.35 -8.78 -6.43 K2Ca(SO4)2:H2O
Thenardite -0.73 -1.03 -0.30 Na2SO4
Trona -7.47 -18.85 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 13.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
2.500e-01 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.06 -4.31 -4.25 0.000e+00 0 0.000e+00
Bischofite -2.90 1.69 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 1.326e-06
Calcite 0.00 -8.41 -8.41 3.446e-04 3.382e-04 -6.361e-06
Carnallite -2.67 1.76 4.42 0.000e+00 0 0.000e+00
Epsomite -0.81 -2.66 -1.85 0.000e+00 0 0.000e+00
Glauberite -0.00 -5.35 -5.35 4.231e-03 4.522e-03 2.908e-04
Gypsum 0.00 -4.60 -4.60 1.036e-03 8.218e-04 -2.145e-04
Halite 0.00 1.58 1.58 1.545e-01 1.812e-01 2.664e-02
Hexahydrite -0.95 -2.52 -1.57 0.000e+00 0 0.000e+00
Kieserite -1.52 -1.78 -0.27 0.000e+00 0 0.000e+00
Polyhalite -0.87 -14.62 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.431e-02 4.401e-04
C 2.276e-03 4.120e-05
Ca 8.780e-03 1.590e-04
Cl 6.180e+00 1.119e-01
K 2.740e-01 4.960e-03
Mg 1.550e+00 2.807e-02
Na 3.544e+00 6.417e-02
S 2.985e-01 5.405e-03
----------------------------Description of solution----------------------------
pH = 7.371 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 197917
Density (g/cm³) = 1.22919
Volume (L) = 0.02033
Viscosity (mPa s) = 2.48392
Activity of water = 0.714
Ionic strength (mol/kgw) = 8.723e+00
Mass of water (kg) = 1.810e-02
Total alkalinity (eq/kg) = 4.620e-03
Total CO2 (mol/kg) = 2.276e-03
Temperature (°C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.95
Iterations = 10
Gamma iterations = 4
Osmotic coefficient = 1.57480
Density of water = 0.99704
Total H = 2.009846e+00
Total O = 1.026666e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.766e-06 1.697e-07 -5.753 -6.770 -1.017 8.16
H+ 3.483e-09 4.257e-08 -8.458 -7.371 1.087 0.00
H2O 5.551e+01 7.139e-01 1.744 -0.146 0.000 18.07
Br 2.431e-02
Br- 2.431e-02 2.628e-02 -1.614 -1.580 0.034 26.41
C(4) 2.276e-03
MgCO3 1.555e-03 1.555e-03 -2.808 -2.808 0.000 -17.09
HCO3- 5.932e-04 8.221e-05 -3.227 -4.085 -0.858 35.43
CO3-2 1.238e-04 8.843e-08 -3.907 -7.053 -3.146 11.87
CO2 3.348e-06 1.076e-05 -5.475 -4.968 0.507 34.43
Ca 8.780e-03
Ca+2 8.780e-03 4.441e-02 -2.057 -1.353 0.704 -13.24
Cl 6.180e+00
Cl- 6.180e+00 4.219e+00 0.791 0.625 -0.166 20.45
K 2.740e-01
K+ 2.740e-01 2.771e-01 -0.562 -0.557 0.005 13.31
Mg 1.550e+00
Mg+2 1.548e+00 2.076e+01 0.190 1.317 1.127 -16.60
MgCO3 1.555e-03 1.555e-03 -2.808 -2.808 0.000 -17.09
MgOH+ 6.667e-04 5.404e-04 -3.176 -3.267 -0.091 (0)
Na 3.544e+00
Na+ 3.544e+00 9.044e+00 0.550 0.956 0.407 1.80
S(6) 2.985e-01
SO4-2 2.985e-01 1.109e-03 -0.525 -2.955 -2.430 28.72
HSO4- 7.113e-09 4.588e-09 -8.148 -8.338 -0.190 42.28
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.06 -4.31 -4.25 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -2.19 -4.07 -1.88 K2SO4
Artinite 0.27 19.93 19.66 Mg2CO3(OH)2:3H2O
Bischofite -2.90 1.69 4.59 MgCl2:6H2O
Bloedite -0.92 -3.27 -2.35 Na2Mg(SO4)2:4H2O
Brucite -1.34 -12.22 -10.88 Mg(OH)2
Burkeite -6.45 -7.23 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -2.67 1.76 4.42 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 2.94 -14.14 -17.09 CaMg(CO3)2
Epsomite -0.81 -2.66 -1.85 MgSO4:7H2O
Gaylussite -4.86 -14.28 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.82 -6.63 -3.80 NaK3(SO4)2
Glauberite -0.00 -5.35 -5.35 Na2Ca(SO4)2
Goergeyite 3.61 -25.75 -29.37 K2Ca5(SO4)6H2O
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2O(g) -1.65 -0.15 1.50 H2O
Halite 0.00 1.58 1.58 NaCl
Hexahydrite -0.95 -2.52 -1.57 MgSO4:6H2O
Huntite 5.50 15.74 10.24 CaMg3(CO3)4
Kainite -1.82 -2.01 -0.19 KMgClSO4:3H2O
Kalicinite -5.04 -14.98 -9.94 KHCO3
Kieserite -1.52 -1.78 -0.27 MgSO4:H2O
Labile_S -1.01 -6.69 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -1.34 -2.22 -0.89 MgSO4:4H2O
Leonite -2.31 -6.29 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.10 -5.74 -7.83 MgCO3
MgCl2_2H2O -12.28 2.27 14.56 MgCl2:2H2O
MgCl2_4H2O -5.00 1.98 6.98 MgCl2:4H2O
Mirabilite -1.27 -2.51 -1.24 Na2SO4:10H2O
Misenite -58.56 -69.37 -10.81 K8H6(SO4)7
Nahcolite -2.73 -13.47 -10.74 NaHCO3
Natron -5.78 -6.60 -0.82 Na2CO3:10H2O
Nesquehonite -1.01 -6.18 -5.17 MgCO3:3H2O
Pentahydrite -1.09 -2.37 -1.28 MgSO4:5H2O
Pirssonite -4.61 -13.84 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -0.87 -14.62 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.70 -14.89 -5.19 Ca(OH)2
Schoenite -2.26 -6.59 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.83 0.07 0.90 KCl
Syngenite -2.09 -8.52 -6.43 K2Ca(SO4)2:H2O
Thenardite -0.74 -1.04 -0.30 Na2SO4
Trona -7.52 -18.90 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 14.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
1.760e-01 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.04 -4.29 -4.25 0.000e+00 0 0.000e+00
Bischofite -2.72 1.87 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 1.294e-06
Calcite 0.00 -8.41 -8.41 3.382e-04 3.284e-04 -9.817e-06
Carnallite -2.36 2.06 4.42 0.000e+00 0 0.000e+00
Epsomite -0.66 -2.51 -1.85 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.35 -5.35 4.522e-03 4.552e-03 2.955e-05
Gypsum 0.00 -4.60 -4.60 8.218e-04 8.495e-04 2.772e-05
Halite 0.00 1.58 1.58 1.812e-01 1.998e-01 1.864e-02
Hexahydrite -0.78 -2.35 -1.57 0.000e+00 0 0.000e+00
Kieserite -1.32 -1.58 -0.27 0.000e+00 0 0.000e+00
Polyhalite -0.42 -14.16 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.947e-02 4.401e-04
C 3.330e-03 4.972e-05
Ca 7.467e-03 1.115e-04
Cl 6.245e+00 9.325e-02
K 3.322e-01 4.960e-03
Mg 1.880e+00 2.807e-02
Na 3.045e+00 4.546e-02
S 3.561e-01 5.318e-03
----------------------------Description of solution----------------------------
pH = 7.375 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 186274
Density (g/cm³) = 1.23656
Volume (L) = 0.01675
Viscosity (mPa s) = 2.73323
Activity of water = 0.702
Ionic strength (mol/kgw) = 9.307e+00
Mass of water (kg) = 1.493e-02
Total alkalinity (eq/kg) = 6.916e-03
Total CO2 (mol/kg) = 3.330e-03
Temperature (°C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.12
Iterations = 10
Gamma iterations = 4
Osmotic coefficient = 1.65187
Density of water = 0.99704
Total H = 1.657736e+00
Total O = 8.502905e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 2.254e-06 1.686e-07 -5.647 -6.773 -1.126 8.88
H+ 2.982e-09 4.214e-08 -8.525 -7.375 1.150 0.00
H2O 5.551e+01 7.019e-01 1.744 -0.154 0.000 18.07
Br 2.947e-02
Br- 2.947e-02 3.381e-02 -1.531 -1.471 0.060 26.44
C(4) 3.330e-03
MgCO3 2.432e-03 2.432e-03 -2.614 -2.614 0.000 -17.09
HCO3- 6.924e-04 8.164e-05 -3.160 -4.088 -0.928 35.90
CO3-2 2.028e-04 8.870e-08 -3.693 -7.052 -3.359 12.51
CO2 3.191e-06 1.076e-05 -5.496 -4.968 0.528 34.43
Ca 7.467e-03
Ca+2 7.467e-03 4.427e-02 -2.127 -1.354 0.773 -13.02
Cl 6.245e+00
Cl- 6.245e+00 4.371e+00 0.796 0.641 -0.155 20.52
K 3.322e-01
K+ 3.322e-01 3.554e-01 -0.479 -0.449 0.029 13.56
Mg 1.880e+00
Mg+2 1.876e+00 3.235e+01 0.273 1.510 1.237 -16.35
MgCO3 2.432e-03 2.432e-03 -2.614 -2.614 0.000 -17.09
MgOH+ 9.530e-04 8.364e-04 -3.021 -3.078 -0.057 (0)
Na 3.045e+00
Na+ 3.045e+00 8.730e+00 0.484 0.941 0.457 1.91
S(6) 3.561e-01
SO4-2 3.561e-01 1.150e-03 -0.448 -2.939 -2.491 29.18
HSO4- 6.444e-09 4.713e-09 -8.191 -8.327 -0.136 42.32
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.04 -4.29 -4.25 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -1.96 -3.84 -1.88 K2SO4
Artinite 0.63 20.29 19.66 Mg2CO3(OH)2:3H2O
Bischofite -2.72 1.87 4.59 MgCl2:6H2O
Bloedite -0.75 -3.10 -2.35 Na2Mg(SO4)2:4H2O
Brucite -1.16 -12.04 -10.88 Mg(OH)2
Burkeite -6.51 -7.28 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -2.36 2.06 4.42 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 3.14 -13.95 -17.09 CaMg(CO3)2
Epsomite -0.66 -2.51 -1.85 MgSO4:7H2O
Gaylussite -4.92 -14.34 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.48 -6.29 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.35 -5.35 Na2Ca(SO4)2
Goergeyite 3.91 -25.46 -29.37 K2Ca5(SO4)6H2O
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2O(g) -1.66 -0.15 1.50 H2O
Halite 0.00 1.58 1.58 NaCl
Hexahydrite -0.78 -2.35 -1.57 MgSO4:6H2O
Huntite 6.08 16.32 10.24 CaMg3(CO3)4
Kainite -1.51 -1.70 -0.19 KMgClSO4:3H2O
Kalicinite -4.94 -14.88 -9.94 KHCO3
Kieserite -1.32 -1.58 -0.27 MgSO4:H2O
Labile_S -1.04 -6.71 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -1.16 -2.04 -0.89 MgSO4:4H2O
Leonite -1.90 -5.88 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.29 -5.54 -7.83 MgCO3
MgCl2_2H2O -12.07 2.48 14.56 MgCl2:2H2O
MgCl2_4H2O -4.80 2.18 6.98 MgCl2:4H2O
Mirabilite -1.35 -2.59 -1.24 Na2SO4:10H2O
Misenite -57.61 -68.42 -10.81 K8H6(SO4)7
Nahcolite -2.74 -13.49 -10.74 NaHCO3
Natron -5.88 -6.71 -0.82 Na2CO3:10H2O
Nesquehonite -0.84 -6.00 -5.17 MgCO3:3H2O
Pentahydrite -0.91 -2.20 -1.28 MgSO4:5H2O
Pirssonite -4.65 -13.88 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -0.42 -14.16 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.71 -14.90 -5.19 Ca(OH)2
Schoenite -1.86 -6.19 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.71 0.19 0.90 KCl
Syngenite -1.85 -8.28 -6.43 K2Ca(SO4)2:H2O
Thenardite -0.76 -1.06 -0.30 Na2SO4
Trona -7.58 -18.96 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 15.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
5.000e-02 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.04 -4.29 -4.25 0.000e+00 0 0.000e+00
Bischofite -2.66 1.93 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 4.803e-07
Calcite 0.00 -8.41 -8.41 3.284e-04 3.238e-04 -4.588e-06
Carnallite -2.26 2.17 4.42 0.000e+00 0 0.000e+00
Epsomite -0.60 -2.45 -1.85 0.000e+00 0 0.000e+00
Glauberite -0.00 -5.35 -5.35 4.552e-03 4.508e-03 -4.353e-05
Gypsum 0.00 -4.60 -4.60 8.495e-04 9.107e-04 6.112e-05
Halite 0.00 1.58 1.58 1.998e-01 2.051e-01 5.274e-03
Hexahydrite -0.73 -2.29 -1.57 0.000e+00 0 0.000e+00
Kieserite -1.24 -1.51 -0.27 0.000e+00 0 0.000e+00
Polyhalite -0.26 -14.00 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 3.137e-02 4.401e-04
C 3.837e-03 5.383e-05
Ca 7.021e-03 9.850e-05
Cl 6.271e+00 8.798e-02
K 3.535e-01 4.960e-03
Mg 2.001e+00 2.807e-02
Na 2.871e+00 4.028e-02
S 3.809e-01 5.344e-03
----------------------------Description of solution----------------------------
pH = 7.377 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 181746
Density (g/cm³) = 1.23961
Volume (L) = 0.01574
Viscosity (mPa s) = 2.84181
Activity of water = 0.697
Ionic strength (mol/kgw) = 9.534e+00
Mass of water (kg) = 1.403e-02
Total alkalinity (eq/kg) = 8.016e-03
Total CO2 (mol/kg) = 3.837e-03
Temperature (°C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.18
Iterations = 9
Gamma iterations = 3
Osmotic coefficient = 1.68139
Density of water = 0.99704
Total H = 1.557491e+00
Total O = 8.002848e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 2.461e-06 1.680e-07 -5.609 -6.775 -1.166 9.17
H+ 2.804e-09 4.199e-08 -8.552 -7.377 1.175 0.00
H2O 5.551e+01 6.970e-01 1.744 -0.157 0.000 18.07
Br 3.137e-02
Br- 3.137e-02 3.679e-02 -1.503 -1.434 0.069 26.45
C(4) 3.837e-03
MgCO3 2.856e-03 2.856e-03 -2.544 -2.544 0.000 -17.09
HCO3- 7.360e-04 8.136e-05 -3.133 -4.090 -0.956 36.08
CO3-2 2.420e-04 8.872e-08 -3.616 -7.052 -3.436 12.76
CO2 3.128e-06 1.076e-05 -5.505 -4.968 0.537 34.43
Ca 7.021e-03
Ca+2 7.021e-03 4.427e-02 -2.154 -1.354 0.800 -12.93
Cl 6.271e+00
Cl- 6.271e+00 4.433e+00 0.797 0.647 -0.151 20.54
K 3.535e-01
K+ 3.535e-01 3.865e-01 -0.452 -0.413 0.039 13.66
Mg 2.001e+00
Mg+2 1.997e+00 3.799e+01 0.300 1.580 1.279 -16.26
MgCO3 2.856e-03 2.856e-03 -2.544 -2.544 0.000 -17.09
MgOH+ 1.081e-03 9.789e-04 -2.966 -3.009 -0.043 (0)
Na 2.871e+00
Na+ 2.871e+00 8.608e+00 0.458 0.935 0.477 1.95
S(6) 3.809e-01
SO4-2 3.809e-01 1.167e-03 -0.419 -2.933 -2.514 29.36
HSO4- 6.229e-09 4.763e-09 -8.206 -8.322 -0.117 42.34
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.04 -4.29 -4.25 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -1.88 -3.76 -1.88 K2SO4
Artinite 0.76 20.42 19.66 Mg2CO3(OH)2:3H2O
Bischofite -2.66 1.93 4.59 MgCl2:6H2O
Bloedite -0.70 -3.04 -2.35 Na2Mg(SO4)2:4H2O
Brucite -1.09 -11.97 -10.88 Mg(OH)2
Burkeite -6.54 -7.31 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -2.26 2.17 4.42 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 3.21 -13.88 -17.09 CaMg(CO3)2
Epsomite -0.60 -2.45 -1.85 MgSO4:7H2O
Gaylussite -4.95 -14.37 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.37 -6.17 -3.80 NaK3(SO4)2
Glauberite -0.00 -5.35 -5.35 Na2Ca(SO4)2
Goergeyite 4.02 -25.35 -29.37 K2Ca5(SO4)6H2O
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2O(g) -1.66 -0.16 1.50 H2O
Halite 0.00 1.58 1.58 NaCl
Hexahydrite -0.73 -2.29 -1.57 MgSO4:6H2O
Huntite 6.29 16.53 10.24 CaMg3(CO3)4
Kainite -1.40 -1.59 -0.19 KMgClSO4:3H2O
Kalicinite -4.90 -14.84 -9.94 KHCO3
Kieserite -1.24 -1.51 -0.27 MgSO4:H2O
Labile_S -1.05 -6.73 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -1.09 -1.98 -0.89 MgSO4:4H2O
Leonite -1.76 -5.74 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.36 -5.47 -7.83 MgCO3
MgCl2_2H2O -12.00 2.56 14.56 MgCl2:2H2O
MgCl2_4H2O -4.73 2.25 6.98 MgCl2:4H2O
Mirabilite -1.39 -2.63 -1.24 Na2SO4:10H2O
Misenite -57.29 -68.10 -10.81 K8H6(SO4)7
Nahcolite -2.75 -13.49 -10.74 NaHCO3
Natron -5.92 -6.75 -0.82 Na2CO3:10H2O
Nesquehonite -0.78 -5.94 -5.17 MgCO3:3H2O
Pentahydrite -0.85 -2.14 -1.28 MgSO4:5H2O
Pirssonite -4.67 -13.90 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -0.26 -14.00 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.71 -14.90 -5.19 Ca(OH)2
Schoenite -1.72 -6.05 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.67 0.23 0.90 KCl
Syngenite -1.77 -8.20 -6.43 K2Ca(SO4)2:H2O
Thenardite -0.76 -1.06 -0.30 Na2SO4
Trona -7.61 -18.99 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 16.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
5.000e-02 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.03 -4.28 -4.25 0.000e+00 0 0.000e+00
Bischofite -2.59 2.00 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 5.638e-07
Calcite -0.00 -8.41 -8.41 3.238e-04 3.178e-04 -6.007e-06
Carnallite -2.14 2.28 4.42 0.000e+00 0 0.000e+00
Epsomite -0.54 -2.39 -1.85 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.35 -5.35 4.508e-03 4.428e-03 -8.034e-05
Gypsum 0.00 -4.60 -4.60 9.107e-04 1.010e-03 9.904e-05
Halite 0.00 1.58 1.58 2.051e-01 2.103e-01 5.264e-03
Hexahydrite -0.66 -2.23 -1.57 0.000e+00 0 0.000e+00
Kieserite -1.16 -1.43 -0.27 0.000e+00 0 0.000e+00
Polyhalite -0.08 -13.82 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 3.353e-02 4.401e-04
C 4.516e-03 5.928e-05
Ca 6.537e-03 8.580e-05
Cl 6.302e+00 8.271e-02
K 3.779e-01 4.960e-03
Mg 2.139e+00 2.807e-02
Na 2.680e+00 3.517e-02
S 4.118e-01 5.405e-03
----------------------------Description of solution----------------------------
pH = 7.379 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 176422
Density (g/cm³) = 1.24332
Volume (L) = 0.01472
Viscosity (mPa s) = 2.97868
Activity of water = 0.691
Ionic strength (mol/kgw) = 9.803e+00
Mass of water (kg) = 1.313e-02
Total alkalinity (eq/kg) = 9.483e-03
Total CO2 (mol/kg) = 4.516e-03
Temperature (°C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.24
Iterations = 9
Gamma iterations = 3
Osmotic coefficient = 1.71576
Density of water = 0.99704
Total H = 1.457095e+00
Total O = 7.503501e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 2.717e-06 1.672e-07 -5.566 -6.777 -1.211 9.50
H+ 2.606e-09 4.183e-08 -8.584 -7.379 1.205 0.00
H2O 5.551e+01 6.911e-01 1.744 -0.160 0.000 18.07
Br 3.353e-02
Br- 3.353e-02 4.033e-02 -1.475 -1.394 0.080 26.46
C(4) 4.516e-03
MgCO3 3.427e-03 3.427e-03 -2.465 -2.465 0.000 -17.09
HCO3- 7.913e-04 8.099e-05 -3.102 -4.092 -0.990 36.29
CO3-2 2.950e-04 8.866e-08 -3.530 -7.052 -3.522 13.05
CO2 3.053e-06 1.076e-05 -5.515 -4.968 0.547 34.43
Ca 6.537e-03
Ca+2 6.537e-03 4.429e-02 -2.185 -1.354 0.831 -12.83
Cl 6.302e+00
Cl- 6.302e+00 4.507e+00 0.799 0.654 -0.146 20.57
K 3.779e-01
K+ 3.779e-01 4.234e-01 -0.423 -0.373 0.049 13.77
Mg 2.139e+00
Mg+2 2.134e+00 4.561e+01 0.329 1.659 1.330 -16.14
MgCO3 3.427e-03 3.427e-03 -2.465 -2.465 0.000 -17.09
MgOH+ 1.246e-03 1.170e-03 -2.905 -2.932 -0.027 (0)
Na 2.680e+00
Na+ 2.680e+00 8.467e+00 0.428 0.928 0.500 2.00
S(6) 4.118e-01
SO4-2 4.118e-01 1.186e-03 -0.385 -2.926 -2.541 29.56
HSO4- 6.004e-09 4.822e-09 -8.222 -8.317 -0.095 42.36
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.03 -4.28 -4.25 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -1.79 -3.67 -1.88 K2SO4
Artinite 0.90 20.56 19.66 Mg2CO3(OH)2:3H2O
Bischofite -2.59 2.00 4.59 MgCl2:6H2O
Bloedite -0.63 -2.98 -2.35 Na2Mg(SO4)2:4H2O
Brucite -1.01 -11.89 -10.88 Mg(OH)2
Burkeite -6.57 -7.34 -0.77 Na6CO3(SO4)2
Calcite -0.00 -8.41 -8.41 CaCO3
Carnallite -2.14 2.28 4.42 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 3.29 -13.80 -17.09 CaMg(CO3)2
Epsomite -0.54 -2.39 -1.85 MgSO4:7H2O
Gaylussite -4.98 -14.40 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.24 -6.04 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.35 -5.35 Na2Ca(SO4)2
Goergeyite 4.14 -25.23 -29.37 K2Ca5(SO4)6H2O
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2O(g) -1.66 -0.16 1.50 H2O
Halite 0.00 1.58 1.58 NaCl
Hexahydrite -0.66 -2.23 -1.57 MgSO4:6H2O
Huntite 6.53 16.77 10.24 CaMg3(CO3)4
Kainite -1.27 -1.47 -0.19 KMgClSO4:3H2O
Kalicinite -4.86 -14.80 -9.94 KHCO3
Kieserite -1.16 -1.43 -0.27 MgSO4:H2O
Labile_S -1.07 -6.74 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -1.02 -1.91 -0.89 MgSO4:4H2O
Leonite -1.60 -5.58 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.44 -5.39 -7.83 MgCO3
MgCl2_2H2O -11.91 2.65 14.56 MgCl2:2H2O
MgCl2_4H2O -4.65 2.33 6.98 MgCl2:4H2O
Mirabilite -1.43 -2.67 -1.24 Na2SO4:10H2O
Misenite -56.93 -67.74 -10.81 K8H6(SO4)7
Nahcolite -2.76 -13.50 -10.74 NaHCO3
Natron -5.98 -6.80 -0.82 Na2CO3:10H2O
Nesquehonite -0.71 -5.87 -5.17 MgCO3:3H2O
Pentahydrite -0.78 -2.07 -1.28 MgSO4:5H2O
Pirssonite -4.69 -13.92 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -0.08 -13.82 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.72 -14.91 -5.19 Ca(OH)2
Schoenite -1.57 -5.90 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.62 0.28 0.90 KCl
Syngenite -1.68 -8.11 -6.43 K2Ca(SO4)2:H2O
Thenardite -0.77 -1.07 -0.30 Na2SO4
Trona -7.64 -19.02 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 17.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
5.000e-02 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.02 -4.27 -4.25 0.000e+00 0 0.000e+00
Bischofite -2.52 2.07 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 4.836e-07
Calcite 0.00 -8.41 -8.41 3.178e-04 3.121e-04 -5.742e-06
Carnallite -2.07 2.35 4.42 0.000e+00 0 0.000e+00
Epsomite -0.48 -2.33 -1.85 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.35 -5.35 4.428e-03 3.869e-03 -5.587e-04
Gypsum 0.00 -4.60 -4.60 1.010e-03 1.036e-03 2.671e-05
Halite 0.00 1.58 1.58 2.103e-01 2.160e-01 5.648e-03
Hexahydrite -0.60 -2.17 -1.57 0.000e+00 0 0.000e+00
Kieserite -1.08 -1.35 -0.27 0.000e+00 0 0.000e+00
Polyhalite 0.00 -13.74 -13.74 0.000e+00 2.746e-04 2.746e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 3.604e-02 4.401e-04
C 5.284e-03 6.454e-05
Ca 6.077e-03 7.423e-05
Cl 6.310e+00 7.706e-02
K 3.611e-01 4.411e-03
Mg 2.276e+00 2.780e-02
Na 2.509e+00 3.064e-02
S 4.419e-01 5.398e-03
----------------------------Description of solution----------------------------
pH = 7.379 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 170327
Density (g/cm³) = 1.24638
Volume (L) = 0.01369
Viscosity (mPa s) = 3.12380
Activity of water = 0.686
Ionic strength (mol/kgw) = 1.005e+01
Mass of water (kg) = 1.221e-02
Total alkalinity (eq/kg) = 1.113e-02
Total CO2 (mol/kg) = 5.284e-03
Temperature (°C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.32
Iterations = 9
Gamma iterations = 3
Osmotic coefficient = 1.75312
Density of water = 0.99704
Total H = 1.355889e+00
Total O = 6.997319e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 3.009e-06 1.660e-07 -5.522 -6.780 -1.258 9.80
H+ 2.441e-09 4.182e-08 -8.612 -7.379 1.234 0.00
H2O 5.551e+01 6.858e-01 1.744 -0.164 0.000 18.07
Br 3.604e-02
Br- 3.604e-02 4.433e-02 -1.443 -1.353 0.090 26.47
C(4) 5.284e-03
MgCO3 4.070e-03 4.070e-03 -2.390 -2.390 0.000 -17.09
HCO3- 8.491e-04 8.039e-05 -3.071 -4.095 -1.024 36.48
CO3-2 3.616e-04 8.803e-08 -3.442 -7.055 -3.614 13.31
CO2 2.983e-06 1.076e-05 -5.525 -4.968 0.557 34.43
Ca 6.077e-03
Ca+2 6.077e-03 4.461e-02 -2.216 -1.351 0.866 -12.74
Cl 6.310e+00
Cl- 6.310e+00 4.561e+00 0.800 0.659 -0.141 20.60
K 3.611e-01
K+ 3.611e-01 4.156e-01 -0.442 -0.381 0.061 13.88
Mg 2.276e+00
Mg+2 2.270e+00 5.457e+01 0.356 1.737 1.381 -16.04
MgCO3 4.070e-03 4.070e-03 -2.390 -2.390 0.000 -17.09
MgOH+ 1.416e-03 1.389e-03 -2.849 -2.857 -0.008 (0)
Na 2.509e+00
Na+ 2.509e+00 8.367e+00 0.399 0.923 0.523 2.04
S(6) 4.419e-01
SO4-2 4.419e-01 1.196e-03 -0.355 -2.922 -2.568 29.75
HSO4- 5.757e-09 4.861e-09 -8.240 -8.313 -0.074 42.37
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.02 -4.27 -4.25 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -1.81 -3.69 -1.88 K2SO4
Artinite 1.04 20.70 19.66 Mg2CO3(OH)2:3H2O
Bischofite -2.52 2.07 4.59 MgCl2:6H2O
Bloedite -0.57 -2.92 -2.35 Na2Mg(SO4)2:4H2O
Brucite -0.94 -11.82 -10.88 Mg(OH)2
Burkeite -6.59 -7.36 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -2.07 2.35 4.42 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 3.36 -13.72 -17.09 CaMg(CO3)2
Epsomite -0.48 -2.33 -1.85 MgSO4:7H2O
Gaylussite -5.01 -14.44 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.26 -6.07 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.35 -5.35 Na2Ca(SO4)2
Goergeyite 4.15 -25.21 -29.37 K2Ca5(SO4)6H2O
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2O(g) -1.67 -0.16 1.50 H2O
Halite 0.00 1.58 1.58 NaCl
Hexahydrite -0.60 -2.17 -1.57 MgSO4:6H2O
Huntite 6.75 17.00 10.24 CaMg3(CO3)4
Kainite -1.21 -1.40 -0.19 KMgClSO4:3H2O
Kalicinite -4.88 -14.82 -9.94 KHCO3
Kieserite -1.08 -1.35 -0.27 MgSO4:H2O
Labile_S -1.08 -6.76 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -0.95 -1.84 -0.89 MgSO4:4H2O
Leonite -1.55 -5.53 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.52 -5.32 -7.83 MgCO3
MgCl2_2H2O -11.83 2.73 14.56 MgCl2:2H2O
MgCl2_4H2O -4.58 2.40 6.98 MgCl2:4H2O
Mirabilite -1.48 -2.72 -1.24 Na2SO4:10H2O
Misenite -56.97 -67.78 -10.81 K8H6(SO4)7
Nahcolite -2.77 -13.51 -10.74 NaHCO3
Natron -6.02 -6.85 -0.82 Na2CO3:10H2O
Nesquehonite -0.64 -5.81 -5.17 MgCO3:3H2O
Pentahydrite -0.72 -2.00 -1.28 MgSO4:5H2O
Pirssonite -4.71 -13.94 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.72 -14.91 -5.19 Ca(OH)2
Schoenite -1.53 -5.85 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.62 0.28 0.90 KCl
Syngenite -1.69 -8.12 -6.43 K2Ca(SO4)2:H2O
Thenardite -0.78 -1.08 -0.30 Na2SO4
Trona -7.67 -19.05 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 18.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
5.000e-02 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.01 -4.27 -4.25 0.000e+00 0 0.000e+00
Bischofite -2.45 2.14 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 4.618e-07
Calcite 0.00 -8.41 -8.41 3.121e-04 3.058e-04 -6.308e-06
Carnallite -2.05 2.38 4.42 0.000e+00 0 0.000e+00
Epsomite -0.42 -2.27 -1.85 0.000e+00 0 0.000e+00
Glauberite -0.00 -5.35 -5.35 3.869e-03 3.038e-03 -8.316e-04
Gypsum -0.00 -4.60 -4.60 1.036e-03 1.033e-03 -3.627e-06
Halite 0.00 1.58 1.58 2.160e-01 2.218e-01 5.863e-03
Hexahydrite -0.54 -2.10 -1.57 0.000e+00 0 0.000e+00
Kieserite -1.00 -1.27 -0.27 0.000e+00 0 0.000e+00
Polyhalite 0.00 -13.74 -13.74 2.746e-04 7.008e-04 4.262e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 3.896e-02 4.401e-04
C 6.230e-03 7.038e-05
Ca 5.610e-03 6.338e-05
Cl 6.302e+00 7.120e-02
K 3.150e-01 3.558e-03
Mg 2.423e+00 2.737e-02
Na 2.341e+00 2.644e-02
S 4.744e-01 5.360e-03
----------------------------Description of solution----------------------------
pH = 7.378 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 163322
Density (g/cm³) = 1.24930
Volume (L) = 0.01264
Viscosity (mPa s) = 3.29053
Activity of water = 0.680
Ionic strength (mol/kgw) = 1.029e+01
Mass of water (kg) = 1.130e-02
Total alkalinity (eq/kg) = 1.315e-02
Total CO2 (mol/kg) = 6.230e-03
Temperature (°C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.41
Iterations = 9
Gamma iterations = 3
Osmotic coefficient = 1.79594
Density of water = 0.99704
Total H = 1.254199e+00
Total O = 6.487531e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 3.364e-06 1.643e-07 -5.473 -6.784 -1.311 10.11
H+ 2.287e-09 4.191e-08 -8.641 -7.378 1.263 0.00
H2O 5.551e+01 6.804e-01 1.744 -0.167 0.000 18.07
Br 3.896e-02
Br- 3.896e-02 4.901e-02 -1.409 -1.310 0.100 26.49
C(4) 6.230e-03
MgCO3 4.861e-03 4.861e-03 -2.313 -2.313 0.000 -17.09
HCO3- 9.148e-04 7.958e-05 -3.039 -4.099 -1.061 36.67
CO3-2 4.512e-04 8.693e-08 -3.346 -7.061 -3.715 13.57
CO2 2.910e-06 1.076e-05 -5.536 -4.968 0.568 34.43
Ca 5.610e-03
Ca+2 5.610e-03 4.517e-02 -2.251 -1.345 0.906 -12.65
Cl 6.302e+00
Cl- 6.302e+00 4.605e+00 0.799 0.663 -0.136 20.62
K 3.150e-01
K+ 3.150e-01 3.737e-01 -0.502 -0.427 0.074 13.98
Mg 2.423e+00
Mg+2 2.416e+00 6.598e+01 0.383 1.819 1.436 -15.94
MgCO3 4.861e-03 4.861e-03 -2.313 -2.313 0.000 -17.09
MgOH+ 1.608e-03 1.663e-03 -2.794 -2.779 0.014 (0)
Na 2.341e+00
Na+ 2.341e+00 8.287e+00 0.369 0.918 0.549 2.08
S(6) 4.744e-01
SO4-2 4.744e-01 1.200e-03 -0.324 -2.921 -2.597 29.93
HSO4- 5.488e-09 4.888e-09 -8.261 -8.311 -0.050 42.39
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.01 -4.27 -4.25 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -1.90 -3.78 -1.88 K2SO4
Artinite 1.18 20.84 19.66 Mg2CO3(OH)2:3H2O
Bischofite -2.45 2.14 4.59 MgCl2:6H2O
Bloedite -0.51 -2.85 -2.35 Na2Mg(SO4)2:4H2O
Brucite -0.87 -11.75 -10.88 Mg(OH)2
Burkeite -6.62 -7.39 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -2.05 2.38 4.42 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 3.44 -13.65 -17.09 CaMg(CO3)2
Epsomite -0.42 -2.27 -1.85 MgSO4:7H2O
Gaylussite -5.05 -14.47 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.40 -6.21 -3.80 NaK3(SO4)2
Glauberite -0.00 -5.35 -5.35 Na2Ca(SO4)2
Goergeyite 4.10 -25.27 -29.37 K2Ca5(SO4)6H2O
Gypsum -0.00 -4.60 -4.60 CaSO4:2H2O
H2O(g) -1.67 -0.17 1.50 H2O
Halite 0.00 1.58 1.58 NaCl
Hexahydrite -0.54 -2.10 -1.57 MgSO4:6H2O
Huntite 6.98 17.23 10.24 CaMg3(CO3)4
Kainite -1.17 -1.37 -0.19 KMgClSO4:3H2O
Kalicinite -4.93 -14.87 -9.94 KHCO3
Kieserite -1.00 -1.27 -0.27 MgSO4:H2O
Labile_S -1.10 -6.77 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -0.88 -1.77 -0.89 MgSO4:4H2O
Leonite -1.57 -5.55 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.59 -5.24 -7.83 MgCO3
MgCl2_2H2O -11.75 2.81 14.56 MgCl2:2H2O
MgCl2_4H2O -4.50 2.48 6.98 MgCl2:4H2O
Mirabilite -1.52 -2.76 -1.24 Na2SO4:10H2O
Misenite -57.33 -68.13 -10.81 K8H6(SO4)7
Nahcolite -2.78 -13.52 -10.74 NaHCO3
Natron -6.07 -6.90 -0.82 Na2CO3:10H2O
Nesquehonite -0.58 -5.74 -5.17 MgCO3:3H2O
Pentahydrite -0.65 -1.94 -1.28 MgSO4:5H2O
Pirssonite -4.73 -13.96 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.72 -14.91 -5.19 Ca(OH)2
Schoenite -1.55 -5.88 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.67 0.24 0.90 KCl
Syngenite -1.78 -8.21 -6.43 K2Ca(SO4)2:H2O
Thenardite -0.78 -1.08 -0.30 Na2SO4
Trona -7.69 -19.08 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 19.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
3.000e-02 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.01 -4.26 -4.25 0.000e+00 0 0.000e+00
Bischofite -2.40 2.19 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 3.369e-07
Calcite 0.00 -8.41 -8.41 3.058e-04 3.007e-04 -5.076e-06
Carnallite -2.03 2.40 4.42 0.000e+00 0 0.000e+00
Epsomite -0.38 -2.23 -1.85 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.35 -5.35 3.038e-03 2.540e-03 -4.976e-04
Gypsum 0.00 -4.60 -4.60 1.033e-03 1.058e-03 2.566e-05
Halite 0.00 1.58 1.58 2.218e-01 2.253e-01 3.499e-03
Hexahydrite -0.49 -2.06 -1.57 0.000e+00 0 0.000e+00
Kieserite -0.95 -1.21 -0.27 0.000e+00 0 0.000e+00
Polyhalite 0.00 -13.74 -13.74 7.008e-04 9.425e-04 2.417e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 4.095e-02 4.401e-04
C 6.990e-03 7.512e-05
Ca 5.305e-03 5.701e-05
Cl 6.299e+00 6.770e-02
K 2.861e-01 3.075e-03
Mg 2.524e+00 2.713e-02
Na 2.227e+00 2.394e-02
S 4.989e-01 5.362e-03
----------------------------Description of solution----------------------------
pH = 7.377 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 158512
Density (g/cm³) = 1.25155
Volume (L) = 0.01201
Viscosity (mPa s) = 3.41663
Activity of water = 0.676
Ionic strength (mol/kgw) = 1.047e+01
Mass of water (kg) = 1.075e-02
Total alkalinity (eq/kg) = 1.477e-02
Total CO2 (mol/kg) = 6.990e-03
Temperature (°C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.47
Iterations = 8
Gamma iterations = 3
Osmotic coefficient = 1.82606
Density of water = 0.99704
Total H = 1.193130e+00
Total O = 6.182440e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 3.630e-06 1.631e-07 -5.440 -6.788 -1.347 10.33
H+ 2.182e-09 4.198e-08 -8.661 -7.377 1.284 0.00
H2O 5.551e+01 6.764e-01 1.744 -0.170 0.000 18.07
Br 4.095e-02
Br- 4.095e-02 5.233e-02 -1.388 -1.281 0.106 26.49
C(4) 6.990e-03
MgCO3 5.497e-03 5.497e-03 -2.260 -2.260 0.000 -17.09
HCO3- 9.652e-04 7.899e-05 -3.015 -4.102 -1.087 36.81
CO3-2 5.245e-04 8.616e-08 -3.280 -7.065 -3.784 13.76
CO2 2.857e-06 1.076e-05 -5.544 -4.968 0.576 34.43
Ca 5.305e-03
Ca+2 5.305e-03 4.558e-02 -2.275 -1.341 0.934 -12.59
Cl 6.299e+00
Cl- 6.299e+00 4.639e+00 0.799 0.666 -0.133 20.64
K 2.861e-01
K+ 2.861e-01 3.468e-01 -0.543 -0.460 0.084 14.06
Mg 2.524e+00
Mg+2 2.517e+00 7.529e+01 0.401 1.877 1.476 -15.86
MgCO3 5.497e-03 5.497e-03 -2.260 -2.260 0.000 -17.09
MgOH+ 1.756e-03 1.883e-03 -2.755 -2.725 0.030 (0)
Na 2.227e+00
Na+ 2.227e+00 8.227e+00 0.348 0.915 0.567 2.11
S(6) 4.989e-01
SO4-2 4.989e-01 1.203e-03 -0.302 -2.920 -2.618 30.06
HSO4- 5.318e-09 4.910e-09 -8.274 -8.309 -0.035 42.40
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.01 -4.26 -4.25 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -1.96 -3.84 -1.88 K2SO4
Artinite 1.27 20.93 19.66 Mg2CO3(OH)2:3H2O
Bischofite -2.40 2.19 4.59 MgCl2:6H2O
Bloedite -0.46 -2.81 -2.35 Na2Mg(SO4)2:4H2O
Brucite -0.82 -11.70 -10.88 Mg(OH)2
Burkeite -6.64 -7.41 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -2.03 2.40 4.42 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 3.49 -13.59 -17.09 CaMg(CO3)2
Epsomite -0.38 -2.23 -1.85 MgSO4:7H2O
Gaylussite -5.07 -14.49 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.50 -6.30 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.35 -5.35 Na2Ca(SO4)2
Goergeyite 4.05 -25.31 -29.37 K2Ca5(SO4)6H2O
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2O(g) -1.67 -0.17 1.50 H2O
Halite 0.00 1.58 1.58 NaCl
Hexahydrite -0.49 -2.06 -1.57 MgSO4:6H2O
Huntite 7.15 17.39 10.24 CaMg3(CO3)4
Kainite -1.15 -1.35 -0.19 KMgClSO4:3H2O
Kalicinite -4.96 -14.90 -9.94 KHCO3
Kieserite -0.95 -1.21 -0.27 MgSO4:H2O
Labile_S -1.11 -6.78 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -0.84 -1.72 -0.89 MgSO4:4H2O
Leonite -1.58 -5.56 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.65 -5.19 -7.83 MgCO3
MgCl2_2H2O -11.69 2.87 14.56 MgCl2:2H2O
MgCl2_4H2O -4.45 2.53 6.98 MgCl2:4H2O
Mirabilite -1.55 -2.79 -1.24 Na2SO4:10H2O
Misenite -57.57 -68.38 -10.81 K8H6(SO4)7
Nahcolite -2.78 -13.53 -10.74 NaHCO3
Natron -6.11 -6.93 -0.82 Na2CO3:10H2O
Nesquehonite -0.53 -5.70 -5.17 MgCO3:3H2O
Pentahydrite -0.61 -1.89 -1.28 MgSO4:5H2O
Pirssonite -4.75 -13.98 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.73 -14.92 -5.19 Ca(OH)2
Schoenite -1.57 -5.90 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.69 0.21 0.90 KCl
Syngenite -1.84 -8.27 -6.43 K2Ca(SO4)2:H2O
Thenardite -0.79 -1.09 -0.30 Na2SO4
Trona -7.72 -19.10 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 20.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
3.000e-02 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.00 -4.25 -4.25 0.000e+00 0 0.000e+00
Bischofite -2.35 2.24 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 3.978e-07
Calcite 0.00 -8.41 -8.41 3.007e-04 2.942e-04 -6.456e-06
Carnallite -2.01 2.42 4.42 0.000e+00 0 0.000e+00
Epsomite -0.34 -2.19 -1.85 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.35 -5.35 2.540e-03 2.040e-03 -4.999e-04
Gypsum 0.00 -4.60 -4.60 1.058e-03 1.112e-03 5.332e-05
Halite 0.00 1.58 1.58 2.253e-01 2.288e-01 3.484e-03
Hexahydrite -0.45 -2.01 -1.57 0.000e+00 0 0.000e+00
Kieserite -0.88 -1.15 -0.27 0.000e+00 0 0.000e+00
Polyhalite 0.00 -13.74 -13.74 9.425e-04 1.172e-03 2.296e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 4.316e-02 4.401e-04
C 7.961e-03 8.118e-05
Ca 4.980e-03 5.078e-05
Cl 6.298e+00 6.422e-02
K 2.565e-01 2.616e-03
Mg 2.638e+00 2.690e-02
Na 2.104e+00 2.146e-02
S 5.286e-01 5.390e-03
----------------------------Description of solution----------------------------
pH = 7.376 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 153147
Density (g/cm³) = 1.25429
Volume (L) = 0.01139
Viscosity (mPa s) = 3.56962
Activity of water = 0.672
Ionic strength (mol/kgw) = 1.068e+01
Mass of water (kg) = 1.020e-02
Total alkalinity (eq/kg) = 1.683e-02
Total CO2 (mol/kg) = 7.961e-03
Temperature (°C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.54
Iterations = 8
Gamma iterations = 3
Osmotic coefficient = 1.86030
Density of water = 0.99704
Total H = 1.131998e+00
Total O = 5.878084e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 3.946e-06 1.617e-07 -5.404 -6.791 -1.388 10.59
H+ 2.065e-09 4.205e-08 -8.685 -7.376 1.309 0.00
H2O 5.551e+01 6.717e-01 1.744 -0.173 0.000 18.07
Br 4.316e-02
Br- 4.316e-02 5.613e-02 -1.365 -1.251 0.114 26.50
C(4) 7.961e-03
MgCO3 6.312e-03 6.312e-03 -2.200 -2.200 0.000 -17.09
HCO3- 1.027e-03 7.831e-05 -2.988 -4.106 -1.118 36.97
CO3-2 6.191e-04 8.527e-08 -3.208 -7.069 -3.861 13.98
CO2 2.796e-06 1.076e-05 -5.553 -4.968 0.585 34.43
Ca 4.980e-03
Ca+2 4.980e-03 4.605e-02 -2.303 -1.337 0.966 -12.51
Cl 6.298e+00
Cl- 6.298e+00 4.680e+00 0.799 0.670 -0.129 20.66
K 2.565e-01
K+ 2.565e-01 3.185e-01 -0.591 -0.497 0.094 14.15
Mg 2.638e+00
Mg+2 2.630e+00 8.735e+01 0.420 1.941 1.521 -15.77
MgCO3 6.312e-03 6.312e-03 -2.200 -2.200 0.000 -17.09
MgOH+ 1.939e-03 2.166e-03 -2.713 -2.664 0.048 (0)
Na 2.104e+00
Na+ 2.104e+00 8.154e+00 0.323 0.911 0.588 2.15
S(6) 5.286e-01
SO4-2 5.286e-01 1.207e-03 -0.277 -2.918 -2.641 30.21
HSO4- 5.141e-09 4.936e-09 -8.289 -8.307 -0.018 42.41
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.00 -4.25 -4.25 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -2.03 -3.91 -1.88 K2SO4
Artinite 1.38 21.04 19.66 Mg2CO3(OH)2:3H2O
Bischofite -2.35 2.24 4.59 MgCl2:6H2O
Bloedite -0.42 -2.76 -2.35 Na2Mg(SO4)2:4H2O
Brucite -0.76 -11.64 -10.88 Mg(OH)2
Burkeite -6.67 -7.44 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -2.01 2.42 4.42 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 3.55 -13.53 -17.09 CaMg(CO3)2
Epsomite -0.34 -2.19 -1.85 MgSO4:7H2O
Gaylussite -5.10 -14.52 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.61 -6.42 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.35 -5.35 Na2Ca(SO4)2
Goergeyite 4.01 -25.36 -29.37 K2Ca5(SO4)6H2O
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2O(g) -1.68 -0.17 1.50 H2O
Halite 0.00 1.58 1.58 NaCl
Hexahydrite -0.45 -2.01 -1.57 MgSO4:6H2O
Huntite 7.33 17.57 10.24 CaMg3(CO3)4
Kainite -1.13 -1.32 -0.19 KMgClSO4:3H2O
Kalicinite -5.00 -14.94 -9.94 KHCO3
Kieserite -0.88 -1.15 -0.27 MgSO4:H2O
Labile_S -1.12 -6.79 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -0.78 -1.67 -0.89 MgSO4:4H2O
Leonite -1.60 -5.58 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.71 -5.13 -7.83 MgCO3
MgCl2_2H2O -11.62 2.94 14.56 MgCl2:2H2O
MgCl2_4H2O -4.39 2.59 6.98 MgCl2:4H2O
Mirabilite -1.58 -2.82 -1.24 Na2SO4:10H2O
Misenite -57.85 -68.66 -10.81 K8H6(SO4)7
Nahcolite -2.79 -13.53 -10.74 NaHCO3
Natron -6.15 -6.97 -0.82 Na2CO3:10H2O
Nesquehonite -0.48 -5.65 -5.17 MgCO3:3H2O
Pentahydrite -0.56 -1.84 -1.28 MgSO4:5H2O
Pirssonite -4.76 -14.00 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.73 -14.92 -5.19 Ca(OH)2
Schoenite -1.60 -5.93 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.73 0.17 0.90 KCl
Syngenite -1.91 -8.34 -6.43 K2Ca(SO4)2:H2O
Thenardite -0.80 -1.10 -0.30 Na2SO4
Trona -7.74 -19.13 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 21.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
3.000e-02 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.25 -4.25 0.000e+00 1.228e-03 1.228e-03
Bischofite -2.29 2.30 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 4.567e-07
Calcite 0.00 -8.41 -8.41 2.942e-04 2.856e-04 -8.634e-06
Carnallite -1.98 2.44 4.42 0.000e+00 0 0.000e+00
Epsomite -0.29 -2.14 -1.85 0.000e+00 0 0.000e+00
Glauberite -0.00 -5.35 -5.35 2.040e-03 1.544e-03 -4.957e-04
Gypsum -0.00 -4.60 -4.60 1.112e-03 0 -1.112e-03
Halite 0.00 1.58 1.58 2.288e-01 2.321e-01 3.235e-03
Hexahydrite -0.40 -1.96 -1.57 0.000e+00 0 0.000e+00
Kieserite -0.81 -1.08 -0.27 0.000e+00 0 0.000e+00
Polyhalite 0.00 -13.74 -13.74 1.172e-03 1.369e-03 1.969e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 4.542e-02 4.401e-04
C 9.222e-03 8.936e-05
Ca 4.617e-03 4.474e-05
Cl 6.294e+00 6.098e-02
K 2.293e-01 2.222e-03
Mg 2.756e+00 2.670e-02
Na 1.983e+00 1.921e-02
S 5.653e-01 5.478e-03
----------------------------Description of solution----------------------------
pH = 7.378 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 147486
Density (g/cm³) = 1.25755
Volume (L) = 0.01081
Viscosity (mPa s) = 3.74624
Activity of water = 0.667
Ionic strength (mol/kgw) = 1.091e+01
Mass of water (kg) = 9.689e-03
Total alkalinity (eq/kg) = 1.950e-02
Total CO2 (mol/kg) = 9.222e-03
Temperature (°C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.60
Iterations = 11
Gamma iterations = 4
Osmotic coefficient = 1.89560
Density of water = 0.99704
Total H = 1.075657e+00
Total O = 5.600119e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 4.322e-06 1.613e-07 -5.364 -6.792 -1.428 10.87
H+ 1.934e-09 4.184e-08 -8.713 -7.378 1.335 0.00
H2O 5.551e+01 6.665e-01 1.744 -0.176 0.000 18.07
Br 4.542e-02
Br- 4.542e-02 6.019e-02 -1.343 -1.220 0.122 26.51
C(4) 9.222e-03
MgCO3 7.372e-03 7.372e-03 -2.132 -2.132 0.000 -17.09
HCO3- 1.107e-03 7.810e-05 -2.956 -4.107 -1.151 37.14
CO3-2 7.413e-04 8.547e-08 -3.130 -7.068 -3.938 14.22
CO2 2.728e-06 1.076e-05 -5.564 -4.968 0.596 34.43
Ca 4.617e-03
Ca+2 4.617e-03 4.595e-02 -2.336 -1.338 0.998 -12.42
Cl 6.294e+00
Cl- 6.294e+00 4.724e+00 0.799 0.674 -0.125 20.69
K 2.293e-01
K+ 2.293e-01 2.918e-01 -0.640 -0.535 0.105 14.25
Mg 2.756e+00
Mg+2 2.746e+00 1.018e+02 0.439 2.008 1.569 -15.67
MgCO3 7.372e-03 7.372e-03 -2.132 -2.132 0.000 -17.09
MgOH+ 2.160e-03 2.517e-03 -2.666 -2.599 0.067 (0)
Na 1.983e+00
Na+ 1.983e+00 8.077e+00 0.297 0.907 0.610 2.18
S(6) 5.653e-01
SO4-2 5.653e-01 1.220e-03 -0.248 -2.913 -2.666 30.38
HSO4- 4.975e-09 4.964e-09 -8.303 -8.304 -0.001 42.42
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite 0.00 -4.25 -4.25 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -2.10 -3.98 -1.88 K2SO4
Artinite 1.50 21.16 19.66 Mg2CO3(OH)2:3H2O
Bischofite -2.29 2.30 4.59 MgCl2:6H2O
Bloedite -0.36 -2.71 -2.35 Na2Mg(SO4)2:4H2O
Brucite -0.70 -11.58 -10.88 Mg(OH)2
Burkeite -6.68 -7.45 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -1.98 2.44 4.42 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 3.62 -13.47 -17.09 CaMg(CO3)2
Epsomite -0.29 -2.14 -1.85 MgSO4:7H2O
Gaylussite -5.12 -14.54 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.72 -6.52 -3.80 NaK3(SO4)2
Glauberite -0.00 -5.35 -5.35 Na2Ca(SO4)2
Goergeyite 3.95 -25.42 -29.37 K2Ca5(SO4)6H2O
Gypsum -0.00 -4.60 -4.60 CaSO4:2H2O
H2O(g) -1.68 -0.18 1.50 H2O
Halite 0.00 1.58 1.58 NaCl
Hexahydrite -0.40 -1.96 -1.57 MgSO4:6H2O
Huntite 7.53 17.77 10.24 CaMg3(CO3)4
Kainite -1.10 -1.29 -0.19 KMgClSO4:3H2O
Kalicinite -5.04 -14.98 -9.94 KHCO3
Kieserite -0.81 -1.08 -0.27 MgSO4:H2O
Labile_S -1.13 -6.80 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -0.72 -1.61 -0.89 MgSO4:4H2O
Leonite -1.61 -5.59 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.77 -5.06 -7.83 MgCO3
MgCl2_2H2O -11.55 3.00 14.56 MgCl2:2H2O
MgCl2_4H2O -4.33 2.65 6.98 MgCl2:4H2O
Mirabilite -1.62 -2.86 -1.24 Na2SO4:10H2O
Misenite -58.14 -68.94 -10.81 K8H6(SO4)7
Nahcolite -2.80 -13.54 -10.74 NaHCO3
Natron -6.19 -7.02 -0.82 Na2CO3:10H2O
Nesquehonite -0.42 -5.59 -5.17 MgCO3:3H2O
Pentahydrite -0.50 -1.79 -1.28 MgSO4:5H2O
Pirssonite -4.78 -14.01 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.73 -14.92 -5.19 Ca(OH)2
Schoenite -1.62 -5.95 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.76 0.14 0.90 KCl
Syngenite -1.98 -8.41 -6.43 K2Ca(SO4)2:H2O
Thenardite -0.80 -1.10 -0.30 Na2SO4
Trona -7.76 -19.15 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 22.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
3.000e-02 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.25 -4.25 1.228e-03 1.460e-03 2.317e-04
Bischofite -2.23 2.36 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 6.284e-07
Calcite 0.00 -8.41 -8.41 2.856e-04 2.716e-04 -1.398e-05
Carnallite -1.96 2.46 4.42 0.000e+00 0 0.000e+00
Epsomite -0.23 -2.08 -1.85 0.000e+00 0 0.000e+00
Glauberite -0.00 -5.35 -5.35 1.544e-03 9.450e-04 -5.993e-04
Gypsum -0.01 -4.61 -4.60 0.000e+00 0 0.000e+00
Halite 0.00 1.58 1.58 2.321e-01 2.356e-01 3.547e-03
Hexahydrite -0.33 -1.90 -1.57 0.000e+00 0 0.000e+00
Kieserite -0.73 -1.00 -0.27 0.000e+00 0 0.000e+00
Polyhalite 0.00 -13.74 -13.74 1.369e-03 1.563e-03 1.942e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 4.814e-02 4.401e-04
C 1.123e-02 1.027e-04
Ca 4.151e-03 3.795e-05
Cl 6.283e+00 5.744e-02
K 2.005e-01 1.833e-03
Mg 2.900e+00 2.651e-02
Na 1.845e+00 1.686e-02
S 6.200e-01 5.668e-03
----------------------------Description of solution----------------------------
pH = 7.386 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 140386
Density (g/cm³) = 1.26219
Volume (L) = 0.01020
Viscosity (mPa s) = 3.99168
Activity of water = 0.660
Ionic strength (mol/kgw) = 1.122e+01
Mass of water (kg) = 9.142e-03
Total alkalinity (eq/kg) = 2.372e-02
Total CO2 (mol/kg) = 1.123e-02
Temperature (°C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.67
Iterations = 9
Gamma iterations = 3
Osmotic coefficient = 1.93803
Density of water = 0.99704
Total H = 1.014881e+00
Total O = 5.304248e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 4.862e-06 1.623e-07 -5.313 -6.790 -1.476 11.25
H+ 1.765e-09 4.115e-08 -8.753 -7.386 1.368 0.00
H2O 5.551e+01 6.600e-01 1.744 -0.180 0.000 18.07
Br 4.814e-02
Br- 4.814e-02 6.533e-02 -1.317 -1.185 0.133 26.52
C(4) 1.123e-02
MgCO3 9.066e-03 9.066e-03 -2.043 -2.043 0.000 -17.09
HCO3- 1.231e-03 7.862e-05 -2.910 -4.104 -1.195 37.37
CO3-2 9.355e-04 8.747e-08 -3.029 -7.058 -4.029 14.53
CO2 2.639e-06 1.076e-05 -5.579 -4.968 0.610 34.43
Ca 4.151e-03
Ca+2 4.151e-03 4.490e-02 -2.382 -1.348 1.034 -12.31
Cl 6.283e+00
Cl- 6.283e+00 4.779e+00 0.798 0.679 -0.119 20.72
K 2.005e-01
K+ 2.005e-01 2.627e-01 -0.698 -0.581 0.117 14.38
Mg 2.900e+00
Mg+2 2.888e+00 1.223e+02 0.461 2.087 1.627 -15.55
MgCO3 9.066e-03 9.066e-03 -2.043 -2.043 0.000 -17.09
MgOH+ 2.484e-03 3.045e-03 -2.605 -2.516 0.088 (0)
Na 1.845e+00
Na+ 1.845e+00 7.984e+00 0.266 0.902 0.636 2.24
S(6) 6.200e-01
SO4-2 6.200e-01 1.249e-03 -0.208 -2.903 -2.696 30.60
HSO4- 4.791e-09 4.997e-09 -8.320 -8.301 0.018 42.44
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite 0.00 -4.25 -4.25 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -2.19 -4.06 -1.88 K2SO4
Artinite 1.66 21.32 19.66 Mg2CO3(OH)2:3H2O
Bischofite -2.23 2.36 4.59 MgCl2:6H2O
Bloedite -0.29 -2.64 -2.35 Na2Mg(SO4)2:4H2O
Brucite -0.61 -11.49 -10.88 Mg(OH)2
Burkeite -6.68 -7.45 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -1.96 2.46 4.42 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 3.71 -13.38 -17.09 CaMg(CO3)2
Epsomite -0.23 -2.08 -1.85 MgSO4:7H2O
Gaylussite -5.14 -14.56 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.84 -6.65 -3.80 NaK3(SO4)2
Glauberite -0.00 -5.35 -5.35 Na2Ca(SO4)2
Goergeyite 3.87 -25.50 -29.37 K2Ca5(SO4)6H2O
Gypsum -0.01 -4.61 -4.60 CaSO4:2H2O
H2O(g) -1.68 -0.18 1.50 H2O
Halite 0.00 1.58 1.58 NaCl
Hexahydrite -0.33 -1.90 -1.57 MgSO4:6H2O
Huntite 7.80 18.04 10.24 CaMg3(CO3)4
Kainite -1.07 -1.26 -0.19 KMgClSO4:3H2O
Kalicinite -5.08 -15.02 -9.94 KHCO3
Kieserite -0.73 -1.00 -0.27 MgSO4:H2O
Labile_S -1.14 -6.81 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -0.65 -1.54 -0.89 MgSO4:4H2O
Leonite -1.62 -5.60 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.86 -4.97 -7.83 MgCO3
MgCl2_2H2O -11.47 3.09 14.56 MgCl2:2H2O
MgCl2_4H2O -4.25 2.72 6.98 MgCl2:4H2O
Mirabilite -1.66 -2.90 -1.24 Na2SO4:10H2O
Misenite -58.48 -69.28 -10.81 K8H6(SO4)7
Nahcolite -2.80 -13.54 -10.74 NaHCO3
Natron -6.23 -7.06 -0.82 Na2CO3:10H2O
Nesquehonite -0.35 -5.51 -5.17 MgCO3:3H2O
Pentahydrite -0.43 -1.72 -1.28 MgSO4:5H2O
Pirssonite -4.79 -14.02 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.74 -14.93 -5.19 Ca(OH)2
Schoenite -1.64 -5.96 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.80 0.10 0.90 KCl
Syngenite -2.07 -8.50 -6.43 K2Ca(SO4)2:H2O
Thenardite -0.80 -1.10 -0.30 Na2SO4
Trona -7.77 -19.16 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 23.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
3.000e-02 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.25 -4.25 1.460e-03 1.775e-03 3.145e-04
Bischofite -2.16 2.43 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 7.767e-07
Calcite 0.00 -8.41 -8.41 2.716e-04 2.523e-04 -1.927e-05
Carnallite -1.94 2.49 4.42 0.000e+00 0 0.000e+00
Epsomite -0.17 -2.01 -1.85 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.35 -5.35 9.450e-04 3.026e-04 -6.425e-04
Gypsum -0.02 -4.62 -4.60 0.000e+00 0 0.000e+00
Halite 0.00 1.58 1.58 2.356e-01 2.392e-01 3.564e-03
Hexahydrite -0.26 -1.83 -1.57 0.000e+00 0 0.000e+00
Kieserite -0.63 -0.90 -0.27 0.000e+00 0 0.000e+00
Polyhalite 0.00 -13.74 -13.74 1.563e-03 1.740e-03 1.768e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 5.121e-02 4.401e-04
C 1.410e-02 1.212e-04
Ca 3.676e-03 3.160e-05
Cl 6.268e+00 5.387e-02
K 1.722e-01 1.480e-03
Mg 3.063e+00 2.633e-02
Na 1.697e+00 1.458e-02
S 6.901e-01 5.931e-03
----------------------------Description of solution----------------------------
pH = 7.394 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 132282
Density (g/cm³) = 1.26804
Volume (L) = 0.00958
Viscosity (mPa s) = 4.30954
Activity of water = 0.652
Ionic strength (mol/kgw) = 1.158e+01
Mass of water (kg) = 8.595e-03
Total alkalinity (eq/kg) = 2.972e-02
Total CO2 (mol/kg) = 1.410e-02
Temperature (°C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.75
Iterations = 9
Gamma iterations = 3
Osmotic coefficient = 1.98633
Density of water = 0.99704
Total H = 9.541735e-01
Total O = 5.011807e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 5.545e-06 1.636e-07 -5.256 -6.786 -1.530 11.70
H+ 1.583e-09 4.035e-08 -8.801 -7.394 1.406 0.00
H2O 5.551e+01 6.521e-01 1.744 -0.186 0.000 18.07
Br 5.121e-02
Br- 5.121e-02 7.144e-02 -1.291 -1.146 0.145 26.54
C(4) 1.410e-02
MgCO3 1.149e-02 1.149e-02 -1.940 -1.940 0.000 -17.09
HCO3- 1.399e-03 7.922e-05 -2.854 -4.101 -1.247 37.65
CO3-2 1.213e-03 8.990e-08 -2.916 -7.046 -4.130 14.91
CO2 2.533e-06 1.076e-05 -5.596 -4.968 0.628 34.43
Ca 3.676e-03
Ca+2 3.676e-03 4.368e-02 -2.435 -1.360 1.075 -12.17
Cl 6.268e+00
Cl- 6.268e+00 4.845e+00 0.797 0.685 -0.112 20.75
K 1.722e-01
K+ 1.722e-01 2.330e-01 -0.764 -0.633 0.131 14.54
Mg 3.063e+00
Mg+2 3.049e+00 1.508e+02 0.484 2.178 1.694 -15.39
MgCO3 1.149e-02 1.149e-02 -1.940 -1.940 0.000 -17.09
MgOH+ 2.911e-03 3.783e-03 -2.536 -2.422 0.114 (0)
Na 1.697e+00
Na+ 1.697e+00 7.876e+00 0.230 0.896 0.667 2.30
S(6) 6.901e-01
SO4-2 6.901e-01 1.284e-03 -0.161 -2.892 -2.730 30.86
HSO4- 4.605e-09 5.036e-09 -8.337 -8.298 0.039 42.46
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite 0.00 -4.25 -4.25 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -2.28 -4.16 -1.88 K2SO4
Artinite 1.85 21.51 19.66 Mg2CO3(OH)2:3H2O
Bischofite -2.16 2.43 4.59 MgCl2:6H2O
Bloedite -0.21 -2.55 -2.35 Na2Mg(SO4)2:4H2O
Brucite -0.51 -11.39 -10.88 Mg(OH)2
Burkeite -6.68 -7.45 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -1.94 2.49 4.42 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 3.81 -13.27 -17.09 CaMg(CO3)2
Epsomite -0.17 -2.01 -1.85 MgSO4:7H2O
Gaylussite -5.17 -14.59 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.98 -6.78 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.35 -5.35 Na2Ca(SO4)2
Goergeyite 3.77 -25.60 -29.37 K2Ca5(SO4)6H2O
Gypsum -0.02 -4.62 -4.60 CaSO4:2H2O
H2O(g) -1.69 -0.19 1.50 H2O
Halite 0.00 1.58 1.58 NaCl
Hexahydrite -0.26 -1.83 -1.57 MgSO4:6H2O
Huntite 8.11 18.35 10.24 CaMg3(CO3)4
Kainite -1.02 -1.22 -0.19 KMgClSO4:3H2O
Kalicinite -5.13 -15.07 -9.94 KHCO3
Kieserite -0.63 -0.90 -0.27 MgSO4:H2O
Labile_S -1.15 -6.82 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -0.57 -1.46 -0.89 MgSO4:4H2O
Leonite -1.63 -5.61 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.97 -4.87 -7.83 MgCO3
MgCl2_2H2O -11.38 3.18 14.56 MgCl2:2H2O
MgCl2_4H2O -4.17 2.81 6.98 MgCl2:4H2O
Mirabilite -1.72 -2.96 -1.24 Na2SO4:10H2O
Misenite -58.86 -69.67 -10.81 K8H6(SO4)7
Nahcolite -2.80 -13.54 -10.74 NaHCO3
Natron -6.29 -7.11 -0.82 Na2CO3:10H2O
Nesquehonite -0.26 -5.42 -5.17 MgCO3:3H2O
Pentahydrite -0.36 -1.64 -1.28 MgSO4:5H2O
Pirssonite -4.80 -14.03 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.74 -14.93 -5.19 Ca(OH)2
Schoenite -1.66 -5.98 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.85 0.05 0.90 KCl
Syngenite -2.16 -8.59 -6.43 K2Ca(SO4)2:H2O
Thenardite -0.80 -1.10 -0.30 Na2SO4
Trona -7.79 -19.17 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
------------------
End of simulation.
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Reading input data for simulation 2.
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