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iphreeqc/phreeqc3-examples/ex17b.out
Scott Charlton d5345a7aee Add 'phreeqc3-examples/' from commit 'e977363da4c1ae1708ebddca38d5312b6813a337' 
git-subtree-dir: phreeqc3-examples
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2018-07-31 16:55:50 -06:00

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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
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES
SURFACE_SPECIES
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 (<28>S/cm, 25<32>C) = 30387
Density (g/cm<63>) = 1.01092
Volume (L) = 1.00789
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 (<28>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 cm<63>/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 25.91
CO3-2 1.577e-05 2.223e-06 -4.802 -5.653 -0.851 -1.35
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 17.32
HSO4- 2.901e-09 1.985e-09 -8.537 -8.702 -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 0.01 -8.49 -8.50 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 0.81 -16.27 -17.08 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 3.300e-06
Calcite 0.00 -8.50 -8.50 0.000e+00 3.893e-06 3.893e-06
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 7.303e-04 7.303e-04
Ca 5.837e-03 5.837e-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 = 7.996 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 30386
Density (g/cm<63>) = 1.01092
Volume (L) = 1.00789
Activity of water = 0.990
Ionic strength (mol/kgw) = 3.751e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 7.523e-04
Total CO2 (mol/kg) = 7.303e-04
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.36
Iterations = 3
Gamma iterations = 2
Osmotic coefficient = 0.89867
Density of water = 0.99704
Total H = 1.110131e+02
Total O = 5.556949e+01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 1.653e-06 9.928e-07 -5.782 -6.003 -0.222 -3.15
H+ 1.302e-08 1.010e-08 -7.885 -7.996 -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) 7.303e-04
HCO3- 6.908e-04 4.808e-04 -3.161 -3.318 -0.157 25.91
CO3-2 1.547e-05 2.181e-06 -4.810 -5.661 -0.851 -1.35
MgCO3 1.386e-05 1.386e-05 -4.858 -4.858 0.000 -17.09
CO2 1.018e-05 1.076e-05 -4.992 -4.968 0.024 34.43
Ca 5.837e-03
Ca+2 5.837e-03 1.445e-03 -2.234 -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 2.806e-02 7.498e-03 -1.552 -2.125 -0.573 -20.69
MgCO3 1.386e-05 1.386e-05 -4.858 -4.858 0.000 -17.09
MgOH+ 1.229e-06 1.142e-06 -5.910 -5.942 -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 17.32
HSO4- 2.929e-09 2.004e-09 -8.533 -8.698 -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 -0.28 -8.50 -8.22 CaCO3
Arcanite -5.73 -7.61 -1.88 K2SO4
Artinite -3.26 16.40 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 -3.25 -14.13 -10.88 Mg(OH)2
Burkeite -14.67 -15.44 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.50 -8.50 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 0.80 -16.29 -17.08 CaMg(CO3)2
Epsomite -2.99 -4.84 -1.85 MgSO4:7H2O
Gaylussite -6.23 -15.66 -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 -0.75 9.50 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 -13.84 -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 0.05 -7.79 -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 -75.67 -86.47 -10.81 K8H6(SO4)7
Nahcolite -3.65 -14.39 -10.74 NaHCO3
Natron -6.35 -7.18 -0.82 Na2CO3:10H2O
Nesquehonite -2.63 -7.80 -5.17 MgCO3:3H2O
Pentahydrite -3.54 -4.83 -1.28 MgSO4:5H2O
Pirssonite -6.41 -15.64 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -9.73 -23.47 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.66 -14.85 -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 -10.15 -21.53 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 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 2.551e-04
Calcite 0.00 -8.50 -8.50 3.893e-06 2.723e-04 2.684e-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 -2.83 -8.18 -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 5.884e-04 2.068e-04
Ca 1.585e-02 5.569e-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 = 7.801 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 73477
Density (g/cm<63>) = 1.03527
Volume (L) = 0.35767
Activity of water = 0.972
Ionic strength (mol/kgw) = 1.065e+00
Mass of water (kg) = 3.514e-01
Total alkalinity (eq/kg) = 6.131e-04
Total CO2 (mol/kg) = 5.884e-04
Temperature (<28>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 = 1.956817e+01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 1.323e-06 6.219e-07 -5.878 -6.206 -0.328 -2.00
H+ 1.804e-08 1.582e-08 -7.744 -7.801 -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) 5.884e-04
HCO3- 5.487e-04 3.012e-04 -3.261 -3.521 -0.260 27.45
CO3-2 1.542e-05 8.715e-07 -4.812 -6.060 -1.248 0.62
MgCO3 1.516e-05 1.516e-05 -4.819 -4.819 0.000 -17.09
CO2 9.195e-06 1.076e-05 -5.036 -4.968 0.068 34.43
Ca 1.585e-02
Ca+2 1.585e-02 3.617e-03 -1.800 -2.442 -0.642 -16.43
Cl 8.339e-01
Cl- 8.339e-01 5.010e-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 7.986e-02 2.053e-02 -1.098 -1.688 -0.590 -20.14
MgCO3 1.516e-05 1.516e-05 -4.819 -4.819 0.000 -17.09
MgOH+ 1.983e-06 1.958e-06 -5.703 -5.708 -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 19.41
HSO4- 6.518e-09 3.983e-09 -8.186 -8.400 -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 -0.28 -8.50 -8.22 CaCO3
Arcanite -4.80 -6.68 -1.88 K2SO4
Artinite -3.22 16.44 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 -3.22 -14.10 -10.88 Mg(OH)2
Burkeite -12.18 -12.95 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.50 -8.50 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 0.83 -16.25 -17.08 CaMg(CO3)2
Epsomite -2.50 -4.35 -1.85 MgSO4:7H2O
Gaylussite -5.78 -15.20 -9.42 CaNa2(CO3)2:5H2O
Glaserite -7.79 -11.59 -3.80 NaK3(SO4)2
Glauberite -2.83 -8.18 -5.35 Na2Ca(SO4)2
Goergeyite -2.42 -31.79 -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 -0.63 9.61 10.24 CaMg3(CO3)4
Kainite -6.46 -6.65 -0.19 KMgClSO4:3H2O
Kalicinite -5.97 -15.91 -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 0.09 -7.75 -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 -70.43 -81.24 -10.81 K8H6(SO4)7
Nahcolite -3.41 -14.15 -10.74 NaHCO3
Natron -5.94 -6.76 -0.82 Na2CO3:10H2O
Nesquehonite -2.62 -7.78 -5.17 MgCO3:3H2O
Pentahydrite -3.04 -4.33 -1.28 MgSO4:5H2O
Pirssonite -5.93 -15.16 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -7.26 -21.00 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.66 -14.85 -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 -9.43 -20.81 -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 2.582e-05
Calcite 0.00 -8.50 -8.50 2.723e-04 2.997e-04 2.738e-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 5.498e-04 1.536e-04
Ca 1.984e-02 5.541e-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 = 7.745 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 87888
Density (g/cm<63>) = 1.04464
Volume (L) = 0.28547
Activity of water = 0.965
Ionic strength (mol/kgw) = 1.340e+00
Mass of water (kg) = 2.794e-01
Total alkalinity (eq/kg) = 5.752e-04
Total CO2 (mol/kg) = 5.498e-04
Temperature (<28>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 = 1.556804e+01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 1.237e-06 5.433e-07 -5.908 -6.265 -0.357 -1.59
H+ 1.911e-08 1.797e-08 -7.719 -7.745 -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) 5.498e-04
HCO3- 5.102e-04 2.631e-04 -3.292 -3.580 -0.288 28.02
MgCO3 1.551e-05 1.551e-05 -4.809 -4.809 0.000 -17.09
CO3-2 1.526e-05 6.704e-07 -4.817 -6.174 -1.357 1.25
CO2 8.831e-06 1.076e-05 -5.054 -4.968 0.086 34.43
Ca 1.984e-02
Ca+2 1.984e-02 4.701e-03 -1.703 -2.328 -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 1.551e-05 1.551e-05 -4.809 -4.809 0.000 -17.09
MgOH+ 2.307e-06 2.275e-06 -5.637 -5.643 -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 2.684e-03 -1.262 -2.571 -1.309 20.03
HSO4- 7.722e-09 4.594e-09 -8.112 -8.338 -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 -0.28 -8.50 -8.22 CaCO3
Arcanite -4.60 -6.48 -1.88 K2SO4
Artinite -3.21 16.45 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 -3.21 -14.09 -10.88 Mg(OH)2
Burkeite -11.65 -12.42 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.50 -8.50 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 0.84 -16.24 -17.08 CaMg(CO3)2
Epsomite -2.40 -4.24 -1.85 MgSO4:7H2O
Gaylussite -5.70 -15.12 -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 -0.60 9.64 10.24 CaMg3(CO3)4
Kainite -6.15 -6.35 -0.19 KMgClSO4:3H2O
Kalicinite -5.93 -15.87 -9.94 KHCO3
Kieserite -3.88 -4.15 -0.27 MgSO4:H2O
Labile_S -5.14 -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 0.10 -7.74 -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 -69.30 -80.10 -10.81 K8H6(SO4)7
Nahcolite -3.36 -14.10 -10.74 NaHCO3
Natron -5.87 -6.70 -0.82 Na2CO3:10H2O
Nesquehonite -2.62 -7.78 -5.17 MgCO3:3H2O
Pentahydrite -2.93 -4.21 -1.28 MgSO4:5H2O
Pirssonite -5.84 -15.07 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -6.70 -20.44 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.67 -14.86 -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 -9.29 -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 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 2.489e-05
Calcite 0.00 -8.50 -8.50 2.997e-04 3.262e-04 2.648e-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 -5.94 -19.68 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.123e-03 4.401e-04
C 4.931e-04 1.022e-04
Ca 2.660e-02 5.515e-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 = 7.663 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 109691
Density (g/cm<63>) = 1.06016
Volume (L) = 0.21331
Activity of water = 0.952
Ionic strength (mol/kgw) = 1.805e+00
Mass of water (kg) = 2.073e-01
Total alkalinity (eq/kg) = 5.197e-04
Total CO2 (mol/kg) = 4.931e-04
Temperature (<28>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 = 1.156791e+01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 1.110e-06 4.428e-07 -5.955 -6.354 -0.399 -0.90
H+ 2.030e-08 2.175e-08 -7.692 -7.663 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) 4.931e-04
HCO3- 4.540e-04 2.145e-04 -3.343 -3.669 -0.326 28.97
MgCO3 1.611e-05 1.611e-05 -4.793 -4.793 0.000 -17.09
CO3-2 1.473e-05 4.515e-07 -4.832 -6.345 -1.514 2.21
CO2 8.248e-06 1.076e-05 -5.084 -4.968 0.115 34.43
Ca 2.660e-02
Ca+2 2.660e-02 6.981e-03 -1.575 -2.156 -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 1.611e-05 1.611e-05 -4.793 -4.793 0.000 -17.09
MgOH+ 2.953e-06 2.859e-06 -5.530 -5.544 -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 20.94
HSO4- 9.655e-09 5.538e-09 -8.015 -8.257 -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 -0.28 -8.50 -8.22 CaCO3
Arcanite -4.35 -6.23 -1.88 K2SO4
Artinite -3.20 16.46 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 -3.20 -14.08 -10.88 Mg(OH)2
Burkeite -10.95 -11.73 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.50 -8.50 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 0.86 -16.22 -17.08 CaMg(CO3)2
Epsomite -2.25 -4.10 -1.85 MgSO4:7H2O
Gaylussite -5.61 -15.03 -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 -0.53 -29.90 -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 -0.55 9.69 10.24 CaMg3(CO3)4
Kainite -5.74 -5.93 -0.19 KMgClSO4:3H2O
Kalicinite -5.90 -15.84 -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 -6.28 -10.26 -3.98 K2Mg(SO4)2:4H2O
Magnesite 0.11 -7.72 -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 -67.80 -78.61 -10.81 K8H6(SO4)7
Nahcolite -3.30 -14.05 -10.74 NaHCO3
Natron -5.81 -6.64 -0.82 Na2CO3:10H2O
Nesquehonite -2.62 -7.79 -5.17 MgCO3:3H2O
Pentahydrite -2.77 -4.06 -1.28 MgSO4:5H2O
Pirssonite -5.73 -14.97 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -5.94 -19.68 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.67 -14.86 -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 -9.13 -20.51 -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 2.132e-05
Calcite 0.00 -8.50 -8.50 3.262e-04 3.484e-04 2.220e-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 8.380e-04 8.380e-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 4.341e-04 5.869e-05
Ca 3.443e-02 4.655e-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 = 7.547 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 146607
Density (g/cm<63>) = 1.09019
Volume (L) = 0.14120
Activity of water = 0.923
Ionic strength (mol/kgw) = 2.742e+00
Mass of water (kg) = 1.352e-01
Total alkalinity (eq/kg) = 4.684e-04
Total CO2 (mol/kg) = 4.341e-04
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.36
Iterations = 11
Gamma iterations = 4
Osmotic coefficient = 1.00553
Density of water = 0.99704
Total H = 1.500978e+01
Total O = 7.562772e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 9.606e-07 3.290e-07 -6.017 -6.483 -0.465 0.41
H+ 1.960e-08 2.839e-08 -7.708 -7.547 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) 4.341e-04
HCO3- 3.915e-04 1.593e-04 -3.407 -3.798 -0.390 30.81
MgCO3 2.054e-05 2.054e-05 -4.687 -4.687 0.000 -17.09
CO3-2 1.483e-05 2.570e-07 -4.829 -6.590 -1.761 3.92
CO2 7.188e-06 1.076e-05 -5.143 -4.968 0.175 34.43
Ca 3.443e-02
Ca+2 3.443e-02 1.226e-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 2.054e-05 2.054e-05 -4.687 -4.687 0.000 -17.09
MgOH+ 5.220e-06 4.758e-06 -5.282 -5.323 -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 2.403e-03 -0.972 -2.619 -1.648 22.47
HSO4- 1.199e-08 6.498e-09 -7.921 -8.187 -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 -0.28 -8.50 -8.22 CaCO3
Arcanite -4.01 -5.89 -1.88 K2SO4
Artinite -3.04 16.62 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 -3.11 -13.99 -10.88 Mg(OH)2
Burkeite -9.91 -10.68 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.50 -8.50 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 0.97 -16.12 -17.08 CaMg(CO3)2
Epsomite -2.04 -3.89 -1.85 MgSO4:7H2O
Gaylussite -5.46 -14.88 -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 -0.23 10.01 10.24 CaMg3(CO3)4
Kainite -5.10 -5.29 -0.19 KMgClSO4:3H2O
Kalicinite -5.83 -15.77 -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 0.22 -7.62 -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 -65.90 -76.70 -10.81 K8H6(SO4)7
Nahcolite -3.20 -13.95 -10.74 NaHCO3
Natron -5.73 -6.56 -0.82 Na2CO3:10H2O
Nesquehonite -2.55 -7.72 -5.17 MgCO3:3H2O
Pentahydrite -2.53 -3.82 -1.28 MgSO4:5H2O
Pirssonite -5.54 -14.78 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -4.92 -18.67 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.69 -14.88 -5.19 Ca(OH)2
Schoenite -5.42 -9.74 -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 -8.84 -20.22 -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 3.819e-06
Calcite 0.00 -8.50 -8.50 3.484e-04 3.518e-04 3.409e-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 8.380e-04 1.653e-03 8.149e-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 4.392e-04 5.146e-05
Ca 3.275e-02 3.836e-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 1.362e-02
----------------------------Description of solution----------------------------
pH = 7.526 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 160317
Density (g/cm<63>) = 1.10238
Volume (L) = 0.12317
Activity of water = 0.909
Ionic strength (mol/kgw) = 3.136e+00
Mass of water (kg) = 1.172e-01
Total alkalinity (eq/kg) = 4.824e-04
Total CO2 (mol/kg) = 4.392e-04
Temperature (<28>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 = 1.300652e+01
Total O = 6.557864e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 9.486e-07 3.087e-07 -6.023 -6.510 -0.488 0.95
H+ 1.785e-08 2.982e-08 -7.748 -7.526 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) 4.392e-04
HCO3- 3.905e-04 1.495e-04 -3.408 -3.825 -0.417 31.57
MgCO3 2.576e-05 2.576e-05 -4.589 -4.589 0.000 -17.09
CO3-2 1.617e-05 2.296e-07 -4.791 -6.639 -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 -0.378 -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 2.396e-01 1.324e-01 -0.621 -0.878 -0.258 -19.06
MgCO3 2.576e-05 2.576e-05 -4.589 -4.589 0.000 -17.09
MgOH+ 7.060e-06 6.268e-06 -5.151 -5.203 -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 23.03
HSO4- 1.183e-08 6.278e-09 -7.927 -8.202 -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 -0.28 -8.50 -8.22 CaCO3
Arcanite -3.91 -5.79 -1.88 K2SO4
Artinite -2.87 16.79 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 -3.02 -13.90 -10.88 Mg(OH)2
Burkeite -9.51 -10.29 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.50 -8.50 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 1.06 -16.02 -17.08 CaMg(CO3)2
Epsomite -1.97 -3.82 -1.85 MgSO4:7H2O
Gaylussite -5.37 -14.79 -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 0.06 10.30 10.24 CaMg3(CO3)4
Kainite -4.88 -5.07 -0.19 KMgClSO4:3H2O
Kalicinite -5.79 -15.73 -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 0.32 -7.52 -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 -65.47 -76.27 -10.81 K8H6(SO4)7
Nahcolite -3.15 -13.89 -10.74 NaHCO3
Natron -5.67 -6.50 -0.82 Na2CO3:10H2O
Nesquehonite -2.47 -7.64 -5.17 MgCO3:3H2O
Pentahydrite -2.46 -3.74 -1.28 MgSO4:5H2O
Pirssonite -5.43 -14.67 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -4.70 -18.44 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.69 -14.88 -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 -8.67 -20.05 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 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 3.889e-06
Calcite 0.00 -8.50 -8.50 3.518e-04 3.550e-04 3.195e-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 1.653e-03 2.515e-03 8.620e-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 4.440e-03 4.401e-04
C 4.478e-04 4.438e-05
Ca 2.998e-02 2.971e-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 1.276e-02
----------------------------Description of solution----------------------------
pH = 7.498 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 177034
Density (g/cm<63>) = 1.11851
Volume (L) = 0.10515
Activity of water = 0.890
Ionic strength (mol/kgw) = 3.673e+00
Mass of water (kg) = 9.912e-02
Total alkalinity (eq/kg) = 5.057e-04
Total CO2 (mol/kg) = 4.478e-04
Temperature (<28>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 = 1.100307e+01
Total O = 5.552675e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 9.297e-07 2.836e-07 -6.032 -6.547 -0.516 1.67
H+ 1.558e-08 3.177e-08 -7.808 -7.498 0.310 0.00
H2O 5.551e+01 8.902e-01 1.744 -0.051 0.000 18.07
Br 4.440e-03
Br- 4.440e-03 3.024e-03 -2.353 -2.519 -0.167 25.96
C(4) 4.478e-04
HCO3- 3.888e-04 1.373e-04 -3.410 -3.862 -0.452 32.59
MgCO3 3.493e-05 3.493e-05 -4.457 -4.457 0.000 -17.09
CO3-2 1.781e-05 1.979e-07 -4.749 -6.704 -1.954 5.43
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 3.493e-05 3.493e-05 -4.457 -4.457 0.000 -17.09
MgOH+ 1.061e-05 9.058e-06 -4.974 -5.043 -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 1.988e-03 -0.890 -2.702 -1.811 23.74
HSO4- 1.165e-08 6.018e-09 -7.934 -8.221 -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 -0.28 -8.50 -8.22 CaCO3
Arcanite -3.79 -5.67 -1.88 K2SO4
Artinite -2.64 17.02 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 -2.90 -13.78 -10.88 Mg(OH)2
Burkeite -9.02 -9.80 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.50 -8.50 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 1.20 -15.89 -17.08 CaMg(CO3)2
Epsomite -1.89 -3.74 -1.85 MgSO4:7H2O
Gaylussite -5.27 -14.69 -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 0.46 10.70 10.24 CaMg3(CO3)4
Kainite -4.59 -4.79 -0.19 KMgClSO4:3H2O
Kalicinite -5.74 -15.68 -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 0.45 -7.38 -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 -64.95 -75.75 -10.81 K8H6(SO4)7
Nahcolite -3.07 -13.82 -10.74 NaHCO3
Natron -5.61 -6.44 -0.82 Na2CO3:10H2O
Nesquehonite -2.37 -7.54 -5.17 MgCO3:3H2O
Pentahydrite -2.35 -3.64 -1.28 MgSO4:5H2O
Pirssonite -5.30 -14.54 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -4.40 -18.15 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.70 -14.89 -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 -8.47 -19.85 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 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 4.009e-06
Calcite 0.00 -8.50 -8.50 3.550e-04 3.576e-04 2.597e-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 2.515e-03 3.410e-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 4.660e-04 3.777e-05
Ca 2.558e-02 2.073e-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 = 7.460 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 197772
Density (g/cm<63>) = 1.14090
Volume (L) = 0.08716
Activity of water = 0.861
Ionic strength (mol/kgw) = 4.446e+00
Mass of water (kg) = 8.107e-02
Total alkalinity (eq/kg) = 5.543e-04
Total CO2 (mol/kg) = 4.660e-04
Temperature (<28>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 = 8.999493e+00
Total O = 4.547287e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 9.003e-07 2.516e-07 -6.046 -6.599 -0.554 2.70
H+ 1.261e-08 3.463e-08 -7.899 -7.460 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) 4.660e-04
HCO3- 3.864e-04 1.218e-04 -3.413 -3.914 -0.501 34.06
MgCO3 5.416e-05 5.416e-05 -4.266 -4.266 0.000 -17.09
CO3-2 1.983e-05 1.611e-07 -4.703 -6.793 -2.090 6.59
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 5.416e-05 5.416e-05 -4.266 -4.266 0.000 -17.09
MgOH+ 1.903e-05 1.531e-05 -4.721 -4.815 -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 24.68
HSO4- 1.148e-08 5.708e-09 -7.940 -8.243 -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 -0.28 -8.50 -8.22 CaCO3
Arcanite -3.63 -5.51 -1.88 K2SO4
Artinite -2.32 17.34 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 -2.72 -13.60 -10.88 Mg(OH)2
Burkeite -8.37 -9.15 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.50 -8.50 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 1.39 -15.70 -17.08 CaMg(CO3)2
Epsomite -1.77 -3.62 -1.85 MgSO4:7H2O
Gaylussite -5.14 -14.56 -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 1.03 11.27 10.24 CaMg3(CO3)4
Kainite -4.21 -4.41 -0.19 KMgClSO4:3H2O
Kalicinite -5.69 -15.63 -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 0.64 -7.19 -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 -64.28 -75.08 -10.81 K8H6(SO4)7
Nahcolite -2.98 -13.72 -10.74 NaHCO3
Natron -5.56 -6.39 -0.82 Na2CO3:10H2O
Nesquehonite -2.22 -7.39 -5.17 MgCO3:3H2O
Pentahydrite -2.20 -3.49 -1.28 MgSO4:5H2O
Pirssonite -5.13 -14.37 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -4.00 -17.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.72 -14.91 -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 -8.21 -19.59 -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 4.405e-06
Calcite 0.00 -8.50 -8.50 3.576e-04 3.582e-04 5.822e-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 3.410e-03 4.289e-03 8.786e-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 5.203e-04 3.279e-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 1.743e-01 1.098e-02
----------------------------Description of solution----------------------------
pH = 7.406 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 223801
Density (g/cm<63>) = 1.17419
Volume (L) = 0.06922
Activity of water = 0.811
Ionic strength (mol/kgw) = 5.663e+00
Mass of water (kg) = 6.302e-02
Total alkalinity (eq/kg) = 6.945e-04
Total CO2 (mol/kg) = 5.203e-04
Temperature (<28>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 = 6.995978e+00
Total O = 3.542005e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 8.525e-07 2.092e-07 -6.069 -6.679 -0.610 4.28
H+ 8.812e-09 3.925e-08 -8.055 -7.406 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) 5.203e-04
HCO3- 3.848e-04 1.013e-04 -3.415 -3.994 -0.580 36.32
MgCO3 1.086e-04 1.086e-04 -3.964 -3.964 0.000 -17.09
CO3-2 2.217e-05 1.182e-07 -4.654 -6.927 -2.273 8.30
CO2 4.677e-06 1.076e-05 -5.330 -4.968 0.362 34.43
Ca 1.895e-02
Ca+2 1.895e-02 2.666e-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 4.453e-01 1.084e+00 -0.351 0.035 0.386 -17.92
MgCO3 1.086e-04 1.086e-04 -3.964 -3.964 0.000 -17.09
MgOH+ 4.732e-05 3.479e-05 -4.325 -4.459 -0.134 (0)
Na 4.036e+00
Na+ 4.036e+00 5.442e+00 0.606 0.736 0.130 1.18
S(6) 1.743e-01
SO4-2 1.743e-01 1.429e-03 -0.759 -2.845 -2.086 25.99
HSO4- 1.142e-08 5.345e-09 -7.942 -8.272 -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 -0.28 -8.50 -8.22 CaCO3
Arcanite -3.41 -5.29 -1.88 K2SO4
Artinite -1.82 17.84 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 -2.44 -13.32 -10.88 Mg(OH)2
Burkeite -7.43 -8.20 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.50 -8.50 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 1.69 -15.39 -17.08 CaMg(CO3)2
Epsomite -1.60 -3.45 -1.85 MgSO4:7H2O
Gaylussite -4.99 -14.41 -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 1.94 12.18 10.24 CaMg3(CO3)4
Kainite -3.66 -3.86 -0.19 KMgClSO4:3H2O
Kalicinite -5.62 -15.56 -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 0.94 -6.89 -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 -63.34 -74.15 -10.81 K8H6(SO4)7
Nahcolite -2.86 -13.60 -10.74 NaHCO3
Natron -5.54 -6.36 -0.82 Na2CO3:10H2O
Nesquehonite -2.00 -7.16 -5.17 MgCO3:3H2O
Pentahydrite -1.98 -3.26 -1.28 MgSO4:5H2O
Pirssonite -4.90 -14.14 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -3.38 -17.12 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.74 -14.93 -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 -7.85 -19.24 -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 6.103e-06
Calcite -0.00 -8.50 -8.50 3.582e-04 3.549e-04 -3.293e-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 1.745e-03 1.745e-03
Gypsum 0.00 -4.60 -4.60 4.289e-03 3.150e-03 -1.139e-03
Halite 0.00 1.58 1.58 0.000e+00 2.036e-02 2.036e-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 6.655e-04 2.998e-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 5.117e+00 2.305e-01
S 1.916e-01 8.631e-03
----------------------------Description of solution----------------------------
pH = 7.311 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 248441
Density (g/cm<63>) = 1.21416
Volume (L) = 0.05088
Activity of water = 0.739
Ionic strength (mol/kgw) = 7.301e+00
Mass of water (kg) = 4.504e-02
Total alkalinity (eq/kg) = 1.118e-03
Total CO2 (mol/kg) = 6.655e-04
Temperature (<28>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 = 1.38502
Density of water = 0.99704
Total H = 5.000533e+00
Total O = 2.534874e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 7.704e-07 1.531e-07 -6.113 -6.815 -0.702 6.37
H+ 5.540e-09 4.885e-08 -8.257 -7.311 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) 6.655e-04
HCO3- 3.670e-04 7.416e-05 -3.435 -4.130 -0.694 39.34
MgCO3 2.722e-04 2.722e-04 -3.565 -3.565 0.000 -17.09
CO3-2 2.255e-05 6.952e-08 -4.647 -7.158 -2.511 10.44
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 4.621e+00 -0.206 0.665 0.870 -17.21
MgCO3 2.722e-04 2.722e-04 -3.565 -3.565 0.000 -17.09
MgOH+ 1.605e-04 1.085e-04 -3.794 -3.964 -0.170 (0)
Na 5.117e+00
Na+ 5.117e+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 27.55
HSO4- 1.077e-08 4.715e-09 -7.968 -8.327 -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 -0.28 -8.50 -8.22 CaCO3
Arcanite -3.14 -5.02 -1.88 K2SO4
Artinite -1.18 18.48 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 -2.09 -12.97 -10.88 Mg(OH)2
Burkeite -6.43 -7.20 -0.77 Na6CO3(SO4)2
Calcite -0.00 -8.50 -8.50 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 2.09 -14.99 -17.08 CaMg(CO3)2
Epsomite -1.40 -3.25 -1.85 MgSO4:7H2O
Gaylussite -4.91 -14.33 -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 3.13 13.38 10.24 CaMg3(CO3)4
Kainite -2.95 -3.15 -0.19 KMgClSO4:3H2O
Kalicinite -5.54 -15.48 -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 -2.85 -0.89 MgSO4:4H2O
Leonite -3.90 -7.88 -3.98 K2Mg(SO4)2:4H2O
Magnesite 1.34 -6.49 -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 -62.13 -72.93 -10.81 K8H6(SO4)7
Nahcolite -2.74 -13.48 -10.74 NaHCO3
Natron -5.66 -6.49 -0.82 Na2CO3:10H2O
Nesquehonite -1.72 -6.89 -5.17 MgCO3:3H2O
Pentahydrite -1.70 -2.99 -1.28 MgSO4:5H2O
Pirssonite -4.71 -13.94 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -2.55 -16.29 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.78 -14.97 -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 -7.53 -18.92 -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 -3.21 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 3.194e-06
Calcite 0.00 -8.50 -8.50 3.549e-04 3.529e-04 -1.955e-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 1.745e-03 3.818e-03 2.073e-03
Gypsum 0.00 -4.60 -4.60 3.150e-03 1.370e-03 -1.780e-03
Halite 0.00 1.58 1.58 2.036e-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 1.624e-02 4.401e-04
C 1.061e-03 2.874e-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 = 7.316 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 235893
Density (g/cm<63>) = 1.21994
Volume (L) = 0.03051
Activity of water = 0.729
Ionic strength (mol/kgw) = 7.901e+00
Mass of water (kg) = 2.709e-02
Total alkalinity (eq/kg) = 2.003e-03
Total CO2 (mol/kg) = 1.061e-03
Temperature (<28>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 = 1.46458
Density of water = 0.99704
Total H = 3.007653e+00
Total O = 1.528972e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 1.067e-06 1.529e-07 -5.972 -6.816 -0.844 7.13
H+ 4.797e-09 4.827e-08 -8.319 -7.316 1.003 0.00
H2O 5.551e+01 7.292e-01 1.744 -0.137 0.000 18.07
Br 1.624e-02
Br- 1.624e-02 1.601e-02 -1.789 -1.796 -0.006 26.36
C(4) 1.061e-03
MgCO3 5.839e-04 5.839e-04 -3.234 -3.234 0.000 -17.09
HCO3- 4.288e-04 7.406e-05 -3.368 -4.130 -0.763 40.43
CO3-2 4.438e-05 7.026e-08 -4.353 -7.153 -2.801 11.19
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 9.808e+00 0.015 0.992 0.977 -16.95
MgCO3 5.839e-04 5.839e-04 -3.234 -3.234 0.000 -17.09
MgOH+ 3.164e-04 2.300e-04 -3.500 -3.638 -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 28.08
HSO4- 9.246e-09 4.836e-09 -8.034 -8.316 -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 -0.28 -8.50 -8.22 CaCO3
Arcanite -2.63 -4.51 -1.88 K2SO4
Artinite -0.54 19.12 19.66 Mg2CO3(OH)2:3H2O
Bischofite -3.21 1.38 4.59 MgCl2:6H2O
Bloedite -1.21 -3.56 -2.35 Na2Mg(SO4)2:4H2O
Brucite -1.76 -12.64 -10.88 Mg(OH)2
Burkeite -6.48 -7.25 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.50 -8.50 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 2.42 -14.66 -17.08 CaMg(CO3)2
Epsomite -1.10 -2.95 -1.85 MgSO4:7H2O
Gaylussite -4.97 -14.39 -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 4.13 14.37 10.24 CaMg3(CO3)4
Kainite -2.37 -2.56 -0.19 KMgClSO4:3H2O
Kalicinite -5.30 -15.24 -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 1.67 -6.16 -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 -60.08 -70.88 -10.81 K8H6(SO4)7
Nahcolite -2.75 -13.49 -10.74 NaHCO3
Natron -5.75 -6.57 -0.82 Na2CO3:10H2O
Nesquehonite -1.41 -6.57 -5.17 MgCO3:3H2O
Pentahydrite -1.39 -2.67 -1.28 MgSO4:5H2O
Pirssonite -4.74 -13.97 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -1.68 -15.43 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.79 -14.98 -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 -7.58 -18.97 -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 9.663e-07
Calcite 0.00 -8.50 -8.50 3.529e-04 3.505e-04 -2.377e-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 3.818e-03 4.237e-03 4.189e-04
Gypsum 0.00 -4.60 -4.60 1.370e-03 1.025e-03 -3.451e-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 1.334e-03 3.015e-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 = 7.319 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 229901
Density (g/cm<63>) = 1.22333
Volume (L) = 0.02541
Activity of water = 0.724
Ionic strength (mol/kgw) = 8.219e+00
Mass of water (kg) = 2.260e-02
Total alkalinity (eq/kg) = 2.611e-03
Total CO2 (mol/kg) = 1.334e-03
Temperature (<28>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 = 1.50724
Density of water = 0.99704
Total H = 2.509033e+00
Total O = 1.277696e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 1.251e-06 1.527e-07 -5.903 -6.816 -0.914 7.52
H+ 4.429e-09 4.797e-08 -8.354 -7.319 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) 1.334e-03
MgCO3 8.030e-04 8.030e-04 -3.095 -3.095 0.000 -17.09
HCO3- 4.658e-04 7.394e-05 -3.332 -4.131 -0.799 41.01
CO3-2 6.159e-05 7.058e-08 -4.210 -7.151 -2.941 11.58
CO2 3.479e-06 1.076e-05 -5.459 -4.968 0.490 34.43
Ca 1.013e-02
Ca+2 1.013e-02 4.466e-02 -1.995 -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 1.343e+01 0.094 1.128 1.034 -16.82
MgCO3 8.030e-04 8.030e-04 -3.095 -3.095 0.000 -17.09
MgOH+ 4.149e-04 3.144e-04 -3.382 -3.503 -0.121 (0)
Na 4.043e+00
Na+ 4.043e+00 9.316e+00 0.607 0.969 0.363 1.71
S(6) 2.554e-01
SO4-2 2.554e-01 1.073e-03 -0.593 -2.969 -2.377 28.35
HSO4- 8.607e-09 4.904e-09 -8.065 -8.309 -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 -0.28 -8.50 -8.22 CaCO3
Arcanite -2.44 -4.32 -1.88 K2SO4
Artinite -0.28 19.38 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 -1.62 -12.50 -10.88 Mg(OH)2
Burkeite -6.50 -7.27 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.50 -8.50 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 2.56 -14.52 -17.08 CaMg(CO3)2
Epsomite -0.98 -2.83 -1.85 MgSO4:7H2O
Gaylussite -5.00 -14.42 -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 4.54 14.79 10.24 CaMg3(CO3)4
Kainite -2.13 -2.33 -0.19 KMgClSO4:3H2O
Kalicinite -5.21 -15.15 -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 1.81 -6.02 -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 -59.29 -70.10 -10.81 K8H6(SO4)7
Nahcolite -2.76 -13.50 -10.74 NaHCO3
Natron -5.79 -6.62 -0.82 Na2CO3:10H2O
Nesquehonite -1.28 -6.45 -5.17 MgCO3:3H2O
Pentahydrite -1.26 -2.54 -1.28 MgSO4:5H2O
Pirssonite -4.76 -14.00 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -1.34 -15.08 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.79 -14.98 -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 -7.61 -19.00 -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 1.190e-06
Calcite 0.00 -8.50 -8.50 3.505e-04 3.454e-04 -5.140e-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 4.237e-03 4.528e-03 2.916e-04
Gypsum 0.00 -4.60 -4.60 1.025e-03 8.085e-04 -2.166e-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 1.883e-03 3.410e-05
Ca 8.778e-03 1.589e-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 6.416e-02
S 2.986e-01 5.406e-03
----------------------------Description of solution----------------------------
pH = 7.323 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 221228
Density (g/cm<63>) = 1.22912
Volume (L) = 0.02033
Activity of water = 0.714
Ionic strength (mol/kgw) = 8.724e+00
Mass of water (kg) = 1.810e-02
Total alkalinity (eq/kg) = 3.827e-03
Total CO2 (mol/kg) = 1.883e-03
Temperature (<28>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 = 1.57491
Density of water = 0.99704
Total H = 2.009900e+00
Total O = 1.026675e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 1.582e-06 1.521e-07 -5.801 -6.818 -1.017 8.16
H+ 3.887e-09 4.751e-08 -8.410 -7.323 1.087 0.00
H2O 5.551e+01 7.138e-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) 1.883e-03
MgCO3 1.249e-03 1.249e-03 -2.903 -2.903 0.000 -17.09
HCO3- 5.316e-04 7.365e-05 -3.274 -4.133 -0.858 41.94
CO3-2 9.940e-05 7.097e-08 -4.003 -7.149 -3.146 12.20
CO2 3.348e-06 1.076e-05 -5.475 -4.968 0.507 34.43
Ca 8.778e-03
Ca+2 8.778e-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 2.772e-01 -0.562 -0.557 0.005 13.31
Mg 1.550e+00
Mg+2 1.549e+00 2.077e+01 0.190 1.317 1.127 -16.60
MgCO3 1.249e-03 1.249e-03 -2.903 -2.903 0.000 -17.09
MgOH+ 5.975e-04 4.844e-04 -3.224 -3.315 -0.091 (0)
Na 3.544e+00
Na+ 3.544e+00 9.044e+00 0.549 0.956 0.407 1.80
S(6) 2.986e-01
SO4-2 2.986e-01 1.109e-03 -0.525 -2.955 -2.430 28.77
HSO4- 7.779e-09 5.018e-09 -8.109 -8.299 -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 -0.28 -8.50 -8.22 CaCO3
Arcanite -2.19 -4.07 -1.88 K2SO4
Artinite 0.08 19.74 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 -1.44 -12.32 -10.88 Mg(OH)2
Burkeite -6.55 -7.32 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.50 -8.50 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 2.75 -14.33 -17.08 CaMg(CO3)2
Epsomite -0.81 -2.66 -1.85 MgSO4:7H2O
Gaylussite -5.05 -14.47 -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 5.12 15.36 10.24 CaMg3(CO3)4
Kainite -1.82 -2.01 -0.19 KMgClSO4:3H2O
Kalicinite -5.09 -15.03 -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 2.00 -5.83 -7.83 MgCO3
MgCl2_2H2O -12.28 2.28 14.56 MgCl2:2H2O
MgCl2_4H2O -5.00 1.98 6.98 MgCl2:4H2O
Mirabilite -1.27 -2.51 -1.24 Na2SO4:10H2O
Misenite -58.28 -69.08 -10.81 K8H6(SO4)7
Nahcolite -2.77 -13.52 -10.74 NaHCO3
Natron -5.88 -6.70 -0.82 Na2CO3:10H2O
Nesquehonite -1.10 -6.27 -5.17 MgCO3:3H2O
Pentahydrite -1.08 -2.37 -1.28 MgSO4:5H2O
Pirssonite -4.80 -14.03 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -0.87 -14.62 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.80 -14.99 -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 -7.66 -19.04 -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 1.162e-06
Calcite 0.00 -8.50 -8.50 3.454e-04 3.374e-04 -7.976e-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 4.528e-03 4.559e-03 3.078e-05
Gypsum 0.00 -4.60 -4.60 8.085e-04 8.332e-04 2.465e-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 2.740e-03 4.091e-05
Ca 7.465e-03 1.115e-04
Cl 6.245e+00 9.326e-02
K 3.321e-01 4.960e-03
Mg 1.880e+00 2.807e-02
Na 3.044e+00 4.545e-02
S 3.562e-01 5.319e-03
----------------------------Description of solution----------------------------
pH = 7.328 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 212314
Density (g/cm<63>) = 1.23648
Volume (L) = 0.01675
Activity of water = 0.702
Ionic strength (mol/kgw) = 9.307e+00
Mass of water (kg) = 1.493e-02
Total alkalinity (eq/kg) = 5.709e-03
Total CO2 (mol/kg) = 2.740e-03
Temperature (<28>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 = 1.65205
Density of water = 0.99704
Total H = 1.657801e+00
Total O = 8.503029e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 2.020e-06 1.510e-07 -5.695 -6.821 -1.126 8.89
H+ 3.328e-09 4.704e-08 -8.478 -7.328 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) 2.740e-03
MgCO3 1.953e-03 1.953e-03 -2.709 -2.709 0.000 -17.09
HCO3- 6.205e-04 7.314e-05 -3.207 -4.136 -0.929 42.99
CO3-2 1.629e-04 7.119e-08 -3.788 -7.148 -3.360 12.89
CO2 3.190e-06 1.076e-05 -5.496 -4.968 0.528 34.43
Ca 7.465e-03
Ca+2 7.465e-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 3.321e-01
K+ 3.321e-01 3.554e-01 -0.479 -0.449 0.029 13.56
Mg 1.880e+00
Mg+2 1.877e+00 3.237e+01 0.273 1.510 1.237 -16.35
MgCO3 1.953e-03 1.953e-03 -2.709 -2.709 0.000 -17.09
MgOH+ 8.542e-04 7.498e-04 -3.068 -3.125 -0.057 (0)
Na 3.044e+00
Na+ 3.044e+00 8.729e+00 0.483 0.941 0.458 1.91
S(6) 3.562e-01
SO4-2 3.562e-01 1.150e-03 -0.448 -2.939 -2.491 29.24
HSO4- 7.047e-09 5.155e-09 -8.152 -8.288 -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 -0.28 -8.50 -8.22 CaCO3
Arcanite -1.96 -3.84 -1.88 K2SO4
Artinite 0.44 20.10 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 -1.25 -12.13 -10.88 Mg(OH)2
Burkeite -6.61 -7.38 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.50 -8.50 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 2.94 -14.14 -17.08 CaMg(CO3)2
Epsomite -0.66 -2.51 -1.85 MgSO4:7H2O
Gaylussite -5.11 -14.54 -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 5.70 15.94 10.24 CaMg3(CO3)4
Kainite -1.51 -1.70 -0.19 KMgClSO4:3H2O
Kalicinite -4.98 -14.92 -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 2.20 -5.64 -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 -57.33 -68.13 -10.81 K8H6(SO4)7
Nahcolite -2.79 -13.53 -10.74 NaHCO3
Natron -5.98 -6.80 -0.82 Na2CO3:10H2O
Nesquehonite -0.93 -6.10 -5.17 MgCO3:3H2O
Pentahydrite -0.91 -2.20 -1.28 MgSO4:5H2O
Pirssonite -4.84 -14.07 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -0.42 -14.16 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.81 -15.00 -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 -7.72 -19.11 -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 4.313e-07
Calcite 0.00 -8.50 -8.50 3.374e-04 3.337e-04 -3.734e-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 4.559e-03 4.516e-03 -4.299e-05
Gypsum 0.00 -4.60 -4.60 8.332e-04 8.929e-04 5.973e-05
Halite 0.00 1.58 1.58 1.998e-01 2.051e-01 5.273e-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 3.151e-03 4.421e-05
Ca 7.018e-03 9.847e-05
Cl 6.271e+00 8.798e-02
K 3.535e-01 4.960e-03
Mg 2.001e+00 2.807e-02
Na 2.870e+00 4.027e-02
S 3.810e-01 5.346e-03
----------------------------Description of solution----------------------------
pH = 7.329 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 209114
Density (g/cm<63>) = 1.23953
Volume (L) = 0.01574
Activity of water = 0.697
Ionic strength (mol/kgw) = 9.535e+00
Mass of water (kg) = 1.403e-02
Total alkalinity (eq/kg) = 6.608e-03
Total CO2 (mol/kg) = 3.151e-03
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.18
Iterations = 8
Gamma iterations = 3
Osmotic coefficient = 1.68161
Density of water = 0.99704
Total H = 1.557562e+00
Total O = 8.002988e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 2.206e-06 1.505e-07 -5.656 -6.822 -1.166 9.17
H+ 3.129e-09 4.687e-08 -8.505 -7.329 1.176 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) 3.151e-03
MgCO3 2.294e-03 2.294e-03 -2.639 -2.639 0.000 -17.09
HCO3- 6.595e-04 7.289e-05 -3.181 -4.137 -0.957 43.39
CO3-2 1.944e-04 7.120e-08 -3.711 -7.147 -3.436 13.15
CO2 3.128e-06 1.076e-05 -5.505 -4.968 0.537 34.43
Ca 7.018e-03
Ca+2 7.018e-03 4.426e-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 3.802e+01 0.300 1.580 1.280 -16.26
MgCO3 2.294e-03 2.294e-03 -2.639 -2.639 0.000 -17.09
MgOH+ 9.692e-04 8.777e-04 -3.014 -3.057 -0.043 (0)
Na 2.870e+00
Na+ 2.870e+00 8.608e+00 0.458 0.935 0.477 1.95
S(6) 3.810e-01
SO4-2 3.810e-01 1.167e-03 -0.419 -2.933 -2.514 29.42
HSO4- 6.812e-09 5.210e-09 -8.167 -8.283 -0.116 42.34
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.04 -4.29 -4.25 CaSO4
Aragonite -0.28 -8.50 -8.22 CaCO3
Arcanite -1.88 -3.76 -1.88 K2SO4
Artinite 0.57 20.23 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 -1.18 -12.06 -10.88 Mg(OH)2
Burkeite -6.63 -7.40 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.50 -8.50 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 3.01 -14.07 -17.08 CaMg(CO3)2
Epsomite -0.60 -2.45 -1.85 MgSO4:7H2O
Gaylussite -5.14 -14.56 -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 5.91 16.15 10.24 CaMg3(CO3)4
Kainite -1.40 -1.59 -0.19 KMgClSO4:3H2O
Kalicinite -4.95 -14.89 -9.94 KHCO3
Kieserite -1.24 -1.51 -0.27 MgSO4:H2O
Labile_S -1.06 -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 2.27 -5.57 -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 -57.00 -67.81 -10.81 K8H6(SO4)7
Nahcolite -2.80 -13.54 -10.74 NaHCO3
Natron -6.02 -6.85 -0.82 Na2CO3:10H2O
Nesquehonite -0.87 -6.04 -5.17 MgCO3:3H2O
Pentahydrite -0.85 -2.14 -1.28 MgSO4:5H2O
Pirssonite -4.86 -14.09 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -0.26 -14.00 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.81 -15.00 -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 -7.75 -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 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 5.063e-07
Calcite 0.00 -8.50 -8.50 3.337e-04 3.288e-04 -4.891e-06
Carnallite -2.14 2.29 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 4.516e-03 4.436e-03 -7.966e-05
Gypsum 0.00 -4.60 -4.60 8.929e-04 9.902e-04 9.726e-05
Halite 0.00 1.58 1.58 2.051e-01 2.103e-01 5.263e-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 -0.07 -13.82 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 3.353e-02 4.401e-04
C 3.703e-03 4.860e-05
Ca 6.534e-03 8.577e-05
Cl 6.302e+00 8.272e-02
K 3.779e-01 4.960e-03
Mg 2.139e+00 2.807e-02
Na 2.679e+00 3.516e-02
S 4.120e-01 5.408e-03
----------------------------Description of solution----------------------------
pH = 7.331 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 205505
Density (g/cm<63>) = 1.24323
Volume (L) = 0.01472
Activity of water = 0.691
Ionic strength (mol/kgw) = 9.804e+00
Mass of water (kg) = 1.313e-02
Total alkalinity (eq/kg) = 7.809e-03
Total CO2 (mol/kg) = 3.703e-03
Temperature (<28>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 = 1.71603
Density of water = 0.99704
Total H = 1.457173e+00
Total O = 7.503662e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 2.435e-06 1.498e-07 -5.613 -6.824 -1.211 9.50
H+ 2.908e-09 4.669e-08 -8.536 -7.331 1.206 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) 3.703e-03
MgCO3 2.753e-03 2.753e-03 -2.560 -2.560 0.000 -17.09
HCO3- 7.092e-04 7.256e-05 -3.149 -4.139 -0.990 43.88
CO3-2 2.370e-04 7.116e-08 -3.625 -7.148 -3.523 13.47
CO2 3.053e-06 1.076e-05 -5.515 -4.968 0.547 34.43
Ca 6.534e-03
Ca+2 6.534e-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 4.235e-01 -0.423 -0.373 0.049 13.77
Mg 2.139e+00
Mg+2 2.135e+00 4.566e+01 0.329 1.660 1.330 -16.14
MgCO3 2.753e-03 2.753e-03 -2.560 -2.560 0.000 -17.09
MgOH+ 1.117e-03 1.049e-03 -2.952 -2.979 -0.027 (0)
Na 2.679e+00
Na+ 2.679e+00 8.466e+00 0.428 0.928 0.500 2.00
S(6) 4.120e-01
SO4-2 4.120e-01 1.186e-03 -0.385 -2.926 -2.541 29.62
HSO4- 6.566e-09 5.275e-09 -8.183 -8.278 -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 -0.28 -8.50 -8.22 CaCO3
Arcanite -1.79 -3.67 -1.88 K2SO4
Artinite 0.71 20.37 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 -1.11 -11.99 -10.88 Mg(OH)2
Burkeite -6.66 -7.43 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.50 -8.50 CaCO3
Carnallite -2.14 2.29 4.42 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 3.09 -13.99 -17.08 CaMg(CO3)2
Epsomite -0.54 -2.39 -1.85 MgSO4:7H2O
Gaylussite -5.18 -14.60 -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 6.15 16.39 10.24 CaMg3(CO3)4
Kainite -1.27 -1.47 -0.19 KMgClSO4:3H2O
Kalicinite -4.91 -14.85 -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 2.35 -5.49 -7.83 MgCO3
MgCl2_2H2O -11.91 2.65 14.56 MgCl2:2H2O
MgCl2_4H2O -4.65 2.33 6.98 MgCl2:4H2O
Mirabilite -1.44 -2.68 -1.24 Na2SO4:10H2O
Misenite -56.65 -67.45 -10.81 K8H6(SO4)7
Nahcolite -2.81 -13.55 -10.74 NaHCO3
Natron -6.07 -6.90 -0.82 Na2CO3:10H2O
Nesquehonite -0.80 -5.97 -5.17 MgCO3:3H2O
Pentahydrite -0.78 -2.07 -1.28 MgSO4:5H2O
Pirssonite -4.88 -14.11 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -0.07 -13.82 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.81 -15.00 -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 -7.78 -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 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 4.336e-07
Calcite 0.00 -8.50 -8.50 3.288e-04 3.241e-04 -4.656e-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 4.436e-03 3.876e-03 -5.604e-04
Gypsum 0.00 -4.60 -4.60 9.902e-04 1.015e-03 2.437e-05
Halite 0.00 1.58 1.58 2.103e-01 2.160e-01 5.650e-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 2.761e-04 2.761e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 3.603e-02 4.401e-04
C 4.325e-03 5.282e-05
Ca 6.074e-03 7.419e-05
Cl 6.310e+00 7.707e-02
K 3.609e-01 4.408e-03
Mg 2.276e+00 2.779e-02
Na 2.508e+00 3.063e-02
S 4.421e-01 5.400e-03
----------------------------Description of solution----------------------------
pH = 7.331 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 200893
Density (g/cm<63>) = 1.24627
Volume (L) = 0.01369
Activity of water = 0.686
Ionic strength (mol/kgw) = 1.005e+01
Mass of water (kg) = 1.221e-02
Total alkalinity (eq/kg) = 9.154e-03
Total CO2 (mol/kg) = 4.325e-03
Temperature (<28>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 = 1.75342
Density of water = 0.99704
Total H = 1.355971e+00
Total O = 6.997460e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 2.697e-06 1.487e-07 -5.569 -6.828 -1.259 9.80
H+ 2.724e-09 4.668e-08 -8.565 -7.331 1.234 0.00
H2O 5.551e+01 6.858e-01 1.744 -0.164 0.000 18.07
Br 3.603e-02
Br- 3.603e-02 4.433e-02 -1.443 -1.353 0.090 26.47
C(4) 4.325e-03
MgCO3 3.270e-03 3.270e-03 -2.485 -2.485 0.000 -17.09
HCO3- 7.609e-04 7.202e-05 -3.119 -4.143 -1.024 44.32
CO3-2 2.905e-04 7.065e-08 -3.537 -7.151 -3.614 13.75
CO2 2.982e-06 1.076e-05 -5.525 -4.968 0.557 34.43
Ca 6.074e-03
Ca+2 6.074e-03 4.461e-02 -2.217 -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 3.609e-01
K+ 3.609e-01 4.154e-01 -0.443 -0.382 0.061 13.88
Mg 2.276e+00
Mg+2 2.271e+00 5.462e+01 0.356 1.737 1.381 -16.04
MgCO3 3.270e-03 3.270e-03 -2.485 -2.485 0.000 -17.09
MgOH+ 1.269e-03 1.246e-03 -2.896 -2.905 -0.008 (0)
Na 2.508e+00
Na+ 2.508e+00 8.367e+00 0.399 0.923 0.523 2.04
S(6) 4.421e-01
SO4-2 4.421e-01 1.196e-03 -0.354 -2.922 -2.568 29.81
HSO4- 6.296e-09 5.317e-09 -8.201 -8.274 -0.073 42.37
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.02 -4.27 -4.25 CaSO4
Aragonite -0.28 -8.50 -8.22 CaCO3
Arcanite -1.81 -3.69 -1.88 K2SO4
Artinite 0.85 20.51 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 -1.04 -11.92 -10.88 Mg(OH)2
Burkeite -6.69 -7.46 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.50 -8.50 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 3.17 -13.91 -17.08 CaMg(CO3)2
Epsomite -0.48 -2.33 -1.85 MgSO4:7H2O
Gaylussite -5.21 -14.63 -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 6.37 16.61 10.24 CaMg3(CO3)4
Kainite -1.21 -1.40 -0.19 KMgClSO4:3H2O
Kalicinite -4.92 -14.86 -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 2.42 -5.41 -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 -56.69 -67.49 -10.81 K8H6(SO4)7
Nahcolite -2.82 -13.56 -10.74 NaHCO3
Natron -6.12 -6.94 -0.82 Na2CO3:10H2O
Nesquehonite -0.74 -5.90 -5.17 MgCO3:3H2O
Pentahydrite -0.72 -2.00 -1.28 MgSO4:5H2O
Pirssonite -4.90 -14.13 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.82 -15.01 -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 -7.81 -19.19 -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 4.151e-07
Calcite 0.00 -8.50 -8.50 3.241e-04 3.190e-04 -5.120e-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 3.876e-03 3.045e-03 -8.309e-04
Gypsum 0.00 -4.60 -4.60 1.015e-03 1.009e-03 -5.479e-06
Halite 0.00 1.58 1.58 2.160e-01 2.218e-01 5.862e-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 2.761e-04 7.023e-04 4.262e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 3.895e-02 4.401e-04
C 5.092e-03 5.753e-05
Ca 5.607e-03 6.335e-05
Cl 6.302e+00 7.121e-02
K 3.147e-01 3.555e-03
Mg 2.422e+00 2.737e-02
Na 2.340e+00 2.643e-02
S 4.746e-01 5.362e-03
----------------------------Description of solution----------------------------
pH = 7.330 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 195304
Density (g/cm<63>) = 1.24918
Volume (L) = 0.01264
Activity of water = 0.680
Ionic strength (mol/kgw) = 1.029e+01
Mass of water (kg) = 1.130e-02
Total alkalinity (eq/kg) = 1.080e-02
Total CO2 (mol/kg) = 5.092e-03
Temperature (<28>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 = 1.79630
Density of water = 0.99704
Total H = 1.254288e+00
Total O = 6.487695e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 3.016e-06 1.472e-07 -5.521 -6.832 -1.312 10.11
H+ 2.552e-09 4.678e-08 -8.593 -7.330 1.263 0.00
H2O 5.551e+01 6.804e-01 1.744 -0.167 0.000 18.07
Br 3.895e-02
Br- 3.895e-02 4.901e-02 -1.409 -1.310 0.100 26.49
C(4) 5.092e-03
MgCO3 3.906e-03 3.906e-03 -2.408 -2.408 0.000 -17.09
HCO3- 8.199e-04 7.129e-05 -3.086 -4.147 -1.061 44.76
CO3-2 3.626e-04 6.977e-08 -3.441 -7.156 -3.716 14.03
CO2 2.909e-06 1.076e-05 -5.536 -4.968 0.568 34.43
Ca 5.607e-03
Ca+2 5.607e-03 4.517e-02 -2.251 -1.345 0.906 -12.65
Cl 6.302e+00
Cl- 6.302e+00 4.605e+00 0.800 0.663 -0.136 20.62
K 3.147e-01
K+ 3.147e-01 3.735e-01 -0.502 -0.428 0.074 13.98
Mg 2.422e+00
Mg+2 2.417e+00 6.607e+01 0.383 1.820 1.437 -15.94
MgCO3 3.906e-03 3.906e-03 -2.408 -2.408 0.000 -17.09
MgOH+ 1.442e-03 1.492e-03 -2.841 -2.826 0.015 (0)
Na 2.340e+00
Na+ 2.340e+00 8.287e+00 0.369 0.918 0.549 2.08
S(6) 4.746e-01
SO4-2 4.746e-01 1.200e-03 -0.324 -2.921 -2.597 30.00
HSO4- 6.001e-09 5.347e-09 -8.222 -8.272 -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 -0.28 -8.50 -8.22 CaCO3
Arcanite -1.90 -3.78 -1.88 K2SO4
Artinite 0.99 20.65 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 -0.96 -11.84 -10.88 Mg(OH)2
Burkeite -6.72 -7.49 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.50 -8.50 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 3.25 -13.84 -17.08 CaMg(CO3)2
Epsomite -0.42 -2.27 -1.85 MgSO4:7H2O
Gaylussite -5.24 -14.66 -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 4.09 -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 6.60 16.85 10.24 CaMg3(CO3)4
Kainite -1.17 -1.37 -0.19 KMgClSO4:3H2O
Kalicinite -4.97 -14.91 -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 2.50 -5.34 -7.83 MgCO3
MgCl2_2H2O -11.74 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 -57.04 -67.85 -10.81 K8H6(SO4)7
Nahcolite -2.83 -13.57 -10.74 NaHCO3
Natron -6.17 -6.99 -0.82 Na2CO3:10H2O
Nesquehonite -0.67 -5.84 -5.17 MgCO3:3H2O
Pentahydrite -0.65 -1.94 -1.28 MgSO4:5H2O
Pirssonite -4.92 -14.16 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.82 -15.01 -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 -7.84 -19.22 -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 3.030e-07
Calcite 0.00 -8.50 -8.50 3.190e-04 3.149e-04 -4.125e-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 3.045e-03 2.548e-03 -4.971e-04
Gypsum 0.00 -4.60 -4.60 1.009e-03 1.033e-03 2.420e-05
Halite 0.00 1.58 1.58 2.218e-01 2.253e-01 3.498e-03
Hexahydrite -0.49 -2.06 -1.57 0.000e+00 0 0.000e+00
Kieserite -0.94 -1.21 -0.27 0.000e+00 0 0.000e+00
Polyhalite 0.00 -13.74 -13.74 7.023e-04 9.440e-04 2.417e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 4.095e-02 4.401e-04
C 5.708e-03 6.135e-05
Ca 5.301e-03 5.698e-05
Cl 6.299e+00 6.771e-02
K 2.858e-01 3.072e-03
Mg 2.524e+00 2.713e-02
Na 2.226e+00 2.393e-02
S 4.992e-01 5.366e-03
----------------------------Description of solution----------------------------
pH = 7.329 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 191562
Density (g/cm<63>) = 1.25141
Volume (L) = 0.01201
Activity of water = 0.676
Ionic strength (mol/kgw) = 1.047e+01
Mass of water (kg) = 1.075e-02
Total alkalinity (eq/kg) = 1.212e-02
Total CO2 (mol/kg) = 5.708e-03
Temperature (<28>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 = 1.82649
Density of water = 0.99704
Total H = 1.193225e+00
Total O = 6.182624e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 3.254e-06 1.461e-07 -5.488 -6.835 -1.348 10.33
H+ 2.434e-09 4.686e-08 -8.614 -7.329 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 0.107 26.49
C(4) 5.708e-03
MgCO3 4.418e-03 4.418e-03 -2.355 -2.355 0.000 -17.09
HCO3- 8.652e-04 7.076e-05 -3.063 -4.150 -1.087 45.09
CO3-2 4.216e-04 6.915e-08 -3.375 -7.160 -3.785 14.24
CO2 2.856e-06 1.076e-05 -5.544 -4.968 0.576 34.43
Ca 5.301e-03
Ca+2 5.301e-03 4.558e-02 -2.276 -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 2.858e-01
K+ 2.858e-01 3.465e-01 -0.544 -0.460 0.084 14.06
Mg 2.524e+00
Mg+2 2.518e+00 7.540e+01 0.401 1.877 1.476 -15.86
MgCO3 4.418e-03 4.418e-03 -2.355 -2.355 0.000 -17.09
MgOH+ 1.575e-03 1.690e-03 -2.803 -2.772 0.030 (0)
Na 2.226e+00
Na+ 2.226e+00 8.226e+00 0.348 0.915 0.568 2.11
S(6) 4.992e-01
SO4-2 4.992e-01 1.203e-03 -0.302 -2.920 -2.618 30.13
HSO4- 5.815e-09 5.370e-09 -8.235 -8.270 -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 -0.28 -8.50 -8.22 CaCO3
Arcanite -1.96 -3.84 -1.88 K2SO4
Artinite 1.08 20.74 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 -0.91 -11.79 -10.88 Mg(OH)2
Burkeite -6.74 -7.51 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.50 -8.50 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 3.30 -13.78 -17.08 CaMg(CO3)2
Epsomite -0.38 -2.23 -1.85 MgSO4:7H2O
Gaylussite -5.26 -14.68 -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 6.76 17.01 10.24 CaMg3(CO3)4
Kainite -1.15 -1.35 -0.19 KMgClSO4:3H2O
Kalicinite -5.01 -14.95 -9.94 KHCO3
Kieserite -0.94 -1.21 -0.27 MgSO4:H2O
Labile_S -1.11 -6.78 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -0.83 -1.72 -0.89 MgSO4:4H2O
Leonite -1.58 -5.56 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.55 -5.28 -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 -57.29 -68.10 -10.81 K8H6(SO4)7
Nahcolite -2.83 -13.57 -10.74 NaHCO3
Natron -6.20 -7.03 -0.82 Na2CO3:10H2O
Nesquehonite -0.63 -5.79 -5.17 MgCO3:3H2O
Pentahydrite -0.61 -1.89 -1.28 MgSO4:5H2O
Pirssonite -4.94 -14.17 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.82 -15.01 -5.19 Ca(OH)2
Schoenite -1.57 -5.90 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.70 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 -7.86 -19.24 -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 2.25 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 3.579e-07
Calcite 0.00 -8.50 -8.50 3.149e-04 3.096e-04 -5.250e-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 2.548e-03 2.049e-03 -4.992e-04
Gypsum 0.00 -4.60 -4.60 1.033e-03 1.085e-03 5.149e-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 9.440e-04 1.174e-03 2.296e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 4.316e-02 4.401e-04
C 6.496e-03 6.624e-05
Ca 4.976e-03 5.074e-05
Cl 6.298e+00 6.422e-02
K 2.562e-01 2.613e-03
Mg 2.638e+00 2.690e-02
Na 2.103e+00 2.144e-02
S 5.289e-01 5.394e-03
----------------------------Description of solution----------------------------
pH = 7.329 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 187477
Density (g/cm<63>) = 1.25413
Volume (L) = 0.01139
Activity of water = 0.672
Ionic strength (mol/kgw) = 1.068e+01
Mass of water (kg) = 1.020e-02
Total alkalinity (eq/kg) = 1.381e-02
Total CO2 (mol/kg) = 6.496e-03
Temperature (<28>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 = 1.86079
Density of water = 0.99704
Total H = 1.132100e+00
Total O = 5.878292e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 3.539e-06 1.448e-07 -5.451 -6.839 -1.388 10.59
H+ 2.303e-09 4.693e-08 -8.638 -7.329 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) 6.496e-03
MgCO3 5.074e-03 5.074e-03 -2.295 -2.295 0.000 -17.09
HCO3- 9.208e-04 7.015e-05 -3.036 -4.154 -1.118 45.46
CO3-2 4.977e-04 6.844e-08 -3.303 -7.165 -3.862 14.48
CO2 2.795e-06 1.076e-05 -5.554 -4.968 0.585 34.43
Ca 4.976e-03
Ca+2 4.976e-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 2.562e-01
K+ 2.562e-01 3.182e-01 -0.591 -0.497 0.094 14.15
Mg 2.638e+00
Mg+2 2.631e+00 8.750e+01 0.420 1.942 1.522 -15.77
MgCO3 5.074e-03 5.074e-03 -2.295 -2.295 0.000 -17.09
MgOH+ 1.739e-03 1.944e-03 -2.760 -2.711 0.048 (0)
Na 2.103e+00
Na+ 2.103e+00 8.153e+00 0.323 0.911 0.589 2.15
S(6) 5.289e-01
SO4-2 5.289e-01 1.208e-03 -0.277 -2.918 -2.641 30.29
HSO4- 5.622e-09 5.399e-09 -8.250 -8.268 -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 -0.28 -8.50 -8.22 CaCO3
Arcanite -2.03 -3.91 -1.88 K2SO4
Artinite 1.19 20.85 19.66 Mg2CO3(OH)2:3H2O
Bischofite -2.35 2.25 4.59 MgCl2:6H2O
Bloedite -0.42 -2.76 -2.35 Na2Mg(SO4)2:4H2O
Brucite -0.86 -11.74 -10.88 Mg(OH)2
Burkeite -6.76 -7.53 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.50 -8.50 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 3.36 -13.72 -17.08 CaMg(CO3)2
Epsomite -0.34 -2.19 -1.85 MgSO4:7H2O
Gaylussite -5.29 -14.71 -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 6.95 17.19 10.24 CaMg3(CO3)4
Kainite -1.13 -1.32 -0.19 KMgClSO4:3H2O
Kalicinite -5.05 -14.99 -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 2.61 -5.22 -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 -57.57 -68.38 -10.81 K8H6(SO4)7
Nahcolite -2.84 -13.58 -10.74 NaHCO3
Natron -6.25 -7.07 -0.82 Na2CO3:10H2O
Nesquehonite -0.57 -5.74 -5.17 MgCO3:3H2O
Pentahydrite -0.56 -1.84 -1.28 MgSO4:5H2O
Pirssonite -4.96 -14.19 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.82 -15.01 -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 -7.89 -19.27 -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 1.200e-03 1.200e-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 4.124e-07
Calcite 0.00 -8.50 -8.50 3.096e-04 3.026e-04 -7.062e-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 2.049e-03 1.552e-03 -4.966e-04
Gypsum -0.00 -4.60 -4.60 1.085e-03 0 -1.085e-03
Halite 0.00 1.58 1.58 2.288e-01 2.321e-01 3.242e-03
Hexahydrite -0.39 -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 1.174e-03 1.371e-03 1.973e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 4.542e-02 4.401e-04
C 7.523e-03 7.289e-05
Ca 4.611e-03 4.468e-05
Cl 6.294e+00 6.098e-02
K 2.289e-01 2.218e-03
Mg 2.756e+00 2.670e-02
Na 1.981e+00 1.920e-02
S 5.659e-01 5.483e-03
----------------------------Description of solution----------------------------
pH = 7.331 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 183236
Density (g/cm<63>) = 1.25741
Volume (L) = 0.01081
Activity of water = 0.666
Ionic strength (mol/kgw) = 1.091e+01
Mass of water (kg) = 9.689e-03
Total alkalinity (eq/kg) = 1.599e-02
Total CO2 (mol/kg) = 7.523e-03
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.60
Iterations = 10
Gamma iterations = 4
Osmotic coefficient = 1.89626
Density of water = 0.99704
Total H = 1.075650e+00
Total O = 5.599801e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 3.878e-06 1.445e-07 -5.411 -6.840 -1.429 10.86
H+ 2.157e-09 4.669e-08 -8.666 -7.331 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 6.020e-02 -1.343 -1.220 0.122 26.51
C(4) 7.523e-03
MgCO3 5.931e-03 5.931e-03 -2.227 -2.227 0.000 -17.09
HCO3- 9.926e-04 6.997e-05 -3.003 -4.155 -1.152 45.86
CO3-2 5.965e-04 6.862e-08 -3.224 -7.164 -3.939 14.73
CO2 2.727e-06 1.076e-05 -5.564 -4.968 0.596 34.43
Ca 4.611e-03
Ca+2 4.611e-03 4.593e-02 -2.336 -1.338 0.998 -12.42
Cl 6.294e+00
Cl- 6.294e+00 4.725e+00 0.799 0.674 -0.125 20.69
K 2.289e-01
K+ 2.289e-01 2.914e-01 -0.640 -0.535 0.105 14.25
Mg 2.756e+00
Mg+2 2.748e+00 1.020e+02 0.439 2.009 1.570 -15.68
MgCO3 5.931e-03 5.931e-03 -2.227 -2.227 0.000 -17.09
MgOH+ 1.938e-03 2.260e-03 -2.713 -2.646 0.067 (0)
Na 1.981e+00
Na+ 1.981e+00 8.076e+00 0.297 0.907 0.610 2.18
S(6) 5.659e-01
SO4-2 5.659e-01 1.221e-03 -0.247 -2.913 -2.666 30.45
HSO4- 5.439e-09 5.430e-09 -8.264 -8.265 -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 -0.28 -8.50 -8.22 CaCO3
Arcanite -2.10 -3.98 -1.88 K2SO4
Artinite 1.31 20.97 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 -0.79 -11.67 -10.88 Mg(OH)2
Burkeite -6.78 -7.55 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.50 -8.50 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 3.43 -13.66 -17.08 CaMg(CO3)2
Epsomite -0.29 -2.14 -1.85 MgSO4:7H2O
Gaylussite -5.31 -14.73 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.72 -6.53 -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 -0.39 -1.96 -1.57 MgSO4:6H2O
Huntite 7.15 17.39 10.24 CaMg3(CO3)4
Kainite -1.10 -1.29 -0.19 KMgClSO4:3H2O
Kalicinite -5.09 -15.03 -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 2.68 -5.15 -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 -57.86 -68.66 -10.81 K8H6(SO4)7
Nahcolite -2.85 -13.59 -10.74 NaHCO3
Natron -6.29 -7.11 -0.82 Na2CO3:10H2O
Nesquehonite -0.52 -5.68 -5.17 MgCO3:3H2O
Pentahydrite -0.50 -1.79 -1.28 MgSO4:5H2O
Pirssonite -4.97 -14.20 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.83 -15.02 -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 -7.90 -19.29 -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 1.200e-03 1.428e-03 2.283e-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 5.666e-07
Calcite 0.00 -8.50 -8.50 3.026e-04 2.912e-04 -1.140e-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 1.552e-03 9.538e-04 -5.985e-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 1.371e-03 1.565e-03 1.942e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 4.814e-02 4.401e-04
C 9.159e-03 8.373e-05
Ca 4.145e-03 3.789e-05
Cl 6.283e+00 5.744e-02
K 2.001e-01 1.830e-03
Mg 2.899e+00 2.651e-02
Na 1.843e+00 1.685e-02
S 6.208e-01 5.675e-03
----------------------------Description of solution----------------------------
pH = 7.338 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 178009
Density (g/cm<63>) = 1.26201
Volume (L) = 0.01020
Activity of water = 0.660
Ionic strength (mol/kgw) = 1.122e+01
Mass of water (kg) = 9.142e-03
Total alkalinity (eq/kg) = 1.944e-02
Total CO2 (mol/kg) = 9.159e-03
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.67
Iterations = 8
Gamma iterations = 3
Osmotic coefficient = 1.93884
Density of water = 0.99704
Total H = 1.014873e+00
Total O = 5.303921e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 4.363e-06 1.454e-07 -5.360 -6.837 -1.477 11.25
H+ 1.967e-09 4.592e-08 -8.706 -7.338 1.368 0.00
H2O 5.551e+01 6.599e-01 1.744 -0.181 0.000 18.07
Br 4.814e-02
Br- 4.814e-02 6.534e-02 -1.317 -1.185 0.133 26.52
C(4) 9.159e-03
MgCO3 7.298e-03 7.298e-03 -2.137 -2.137 0.000 -17.09
HCO3- 1.105e-03 7.044e-05 -2.957 -4.152 -1.195 46.42
CO3-2 7.532e-04 7.023e-08 -3.123 -7.153 -4.030 15.09
CO2 2.638e-06 1.076e-05 -5.579 -4.968 0.611 34.43
Ca 4.145e-03
Ca+2 4.145e-03 4.488e-02 -2.383 -1.348 1.035 -12.31
Cl 6.283e+00
Cl- 6.283e+00 4.780e+00 0.798 0.679 -0.119 20.72
K 2.001e-01
K+ 2.001e-01 2.623e-01 -0.699 -0.581 0.117 14.38
Mg 2.899e+00
Mg+2 2.890e+00 1.226e+02 0.461 2.089 1.628 -15.55
MgCO3 7.298e-03 7.298e-03 -2.137 -2.137 0.000 -17.09
MgOH+ 2.230e-03 2.736e-03 -2.652 -2.563 0.089 (0)
Na 1.843e+00
Na+ 1.843e+00 7.983e+00 0.265 0.902 0.637 2.24
S(6) 6.208e-01
SO4-2 6.208e-01 1.249e-03 -0.207 -2.903 -2.696 30.68
HSO4- 5.238e-09 5.466e-09 -8.281 -8.262 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 -0.28 -8.50 -8.22 CaCO3
Arcanite -2.19 -4.07 -1.88 K2SO4
Artinite 1.48 21.14 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 -0.71 -11.59 -10.88 Mg(OH)2
Burkeite -6.78 -7.55 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.50 -8.50 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 3.52 -13.57 -17.08 CaMg(CO3)2
Epsomite -0.23 -2.08 -1.85 MgSO4:7H2O
Gaylussite -5.33 -14.75 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.85 -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 7.42 17.66 10.24 CaMg3(CO3)4
Kainite -1.07 -1.26 -0.19 KMgClSO4:3H2O
Kalicinite -5.13 -15.07 -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 2.77 -5.06 -7.83 MgCO3
MgCl2_2H2O -11.47 3.09 14.56 MgCl2:2H2O
MgCl2_4H2O -4.25 2.73 6.98 MgCl2:4H2O
Mirabilite -1.66 -2.90 -1.24 Na2SO4:10H2O
Misenite -58.19 -69.00 -10.81 K8H6(SO4)7
Nahcolite -2.85 -13.59 -10.74 NaHCO3
Natron -6.33 -7.15 -0.82 Na2CO3:10H2O
Nesquehonite -0.44 -5.61 -5.17 MgCO3:3H2O
Pentahydrite -0.43 -1.72 -1.28 MgSO4:5H2O
Pirssonite -4.98 -14.21 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.83 -15.02 -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 -7.92 -19.30 -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 1.428e-03 1.738e-03 3.101e-04
Bischofite -2.16 2.44 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 7.012e-07
Calcite 0.00 -8.50 -8.50 2.912e-04 2.754e-04 -1.574e-05
Carnallite -1.94 2.49 4.42 0.000e+00 0 0.000e+00
Epsomite -0.16 -2.01 -1.85 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.35 -5.35 9.538e-04 3.122e-04 -6.416e-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 3.565e-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 1.565e-03 1.742e-03 1.768e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 5.121e-02 4.401e-04
C 1.149e-02 9.877e-05
Ca 3.669e-03 3.153e-05
Cl 6.268e+00 5.387e-02
K 1.717e-01 1.476e-03
Mg 3.063e+00 2.633e-02
Na 1.695e+00 1.456e-02
S 6.912e-01 5.941e-03
----------------------------Description of solution----------------------------
pH = 7.347 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 172130
Density (g/cm<63>) = 1.26782
Volume (L) = 0.00958
Activity of water = 0.652
Ionic strength (mol/kgw) = 1.159e+01
Mass of water (kg) = 8.595e-03
Total alkalinity (eq/kg) = 2.434e-02
Total CO2 (mol/kg) = 1.149e-02
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.75
Iterations = 8
Gamma iterations = 3
Osmotic coefficient = 1.98737
Density of water = 0.99704
Total H = 9.541661e-01
Total O = 5.011480e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 4.978e-06 1.466e-07 -5.303 -6.834 -1.531 11.70
H+ 1.763e-09 4.503e-08 -8.754 -7.347 1.407 0.00
H2O 5.551e+01 6.520e-01 1.744 -0.186 0.000 18.07
Br 5.121e-02
Br- 5.121e-02 7.146e-02 -1.291 -1.146 0.145 26.54
C(4) 1.149e-02
MgCO3 9.255e-03 9.255e-03 -2.034 -2.034 0.000 -17.09
HCO3- 1.256e-03 7.098e-05 -2.901 -4.149 -1.248 47.08
CO3-2 9.775e-04 7.219e-08 -3.010 -7.142 -4.132 15.50
CO2 2.531e-06 1.076e-05 -5.597 -4.968 0.629 34.43
Ca 3.669e-03
Ca+2 3.669e-03 4.366e-02 -2.435 -1.360 1.076 -12.17
Cl 6.268e+00
Cl- 6.268e+00 4.846e+00 0.797 0.685 -0.112 20.75
K 1.717e-01
K+ 1.717e-01 2.325e-01 -0.765 -0.634 0.132 14.54
Mg 3.063e+00
Mg+2 3.051e+00 1.513e+02 0.485 2.180 1.695 -15.39
MgCO3 9.255e-03 9.255e-03 -2.034 -2.034 0.000 -17.09
MgOH+ 2.615e-03 3.401e-03 -2.582 -2.468 0.114 (0)
Na 1.695e+00
Na+ 1.695e+00 7.874e+00 0.229 0.896 0.667 2.30
S(6) 6.912e-01
SO4-2 6.912e-01 1.284e-03 -0.160 -2.891 -2.731 30.94
HSO4- 5.034e-09 5.508e-09 -8.298 -8.259 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 -0.28 -8.50 -8.22 CaCO3
Arcanite -2.28 -4.16 -1.88 K2SO4
Artinite 1.66 21.32 19.66 Mg2CO3(OH)2:3H2O
Bischofite -2.16 2.44 4.59 MgCl2:6H2O
Bloedite -0.21 -2.55 -2.35 Na2Mg(SO4)2:4H2O
Brucite -0.61 -11.49 -10.88 Mg(OH)2
Burkeite -6.78 -7.55 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.50 -8.50 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 3.62 -13.46 -17.08 CaMg(CO3)2
Epsomite -0.16 -2.01 -1.85 MgSO4:7H2O
Gaylussite -5.36 -14.78 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.98 -6.79 -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 7.73 17.97 10.24 CaMg3(CO3)4
Kainite -1.02 -1.22 -0.19 KMgClSO4:3H2O
Kalicinite -5.18 -15.12 -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 -1.45 -0.89 MgSO4:4H2O
Leonite -1.63 -5.61 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.87 -4.96 -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 -58.58 -69.39 -10.81 K8H6(SO4)7
Nahcolite -2.85 -13.59 -10.74 NaHCO3
Natron -6.38 -7.21 -0.82 Na2CO3:10H2O
Nesquehonite -0.35 -5.52 -5.17 MgCO3:3H2O
Pentahydrite -0.36 -1.64 -1.28 MgSO4:5H2O
Pirssonite -4.99 -14.22 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.84 -15.03 -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 -2.17 -8.60 -6.43 K2Ca(SO4)2:H2O
Thenardite -0.80 -1.10 -0.30 Na2SO4
Trona -7.93 -19.31 -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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End of Run after 0.057 Seconds.
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