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iphreeqc/ex17b.out
David L Parkhurst 559b6272ed Change in ETHETAS calculation 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9801 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-06-09 13:38:49 +00:00

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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 7.491e-04 7.491e-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) = 31375
Density (g/cm<63>) = 1.01092
Volume (L) = 1.00789
Activity of water = 0.990
Ionic strength = 3.751e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 7.720e-04
Total CO2 (mol/kg) = 7.491e-04
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.347e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.36
Iterations = 9
Gamma iterations = 3
Osmotic coefficient = 0.89867
Density of water = 0.99704
Total H = 1.110131e+02
Total O = 5.556954e+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 25.17
C(4) 7.491e-04
HCO3- 7.084e-04 4.931e-04 -3.150 -3.307 -0.157 25.91
CO3-2 1.602e-05 2.258e-06 -4.795 -5.646 -0.851 -1.35
MgCO3 1.434e-05 1.434e-05 -4.843 -4.843 0.000 -17.09
CO2 1.033e-05 1.093e-05 -4.986 -4.961 0.024 29.09
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 1.434e-05 1.434e-05 -4.843 -4.843 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 -3.24 16.42 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 -14.65 -15.42 -0.77 Na6CO3(SO4)2
Calcite 0.02 -8.49 -8.50 CaCO3
Carnallite -11.16 -6.74 4.42 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 0.83 -16.26 -17.08 CaMg(CO3)2
Epsomite -2.99 -4.84 -1.85 MgSO4:7H2O
Gaylussite -6.20 -15.63 -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 -0.69 9.56 10.24 CaMg3(CO3)4
Kainite -7.80 -7.99 -0.19 KMgClSO4:3H2O
Kalicinite -6.17 -16.11 -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 -7.77 -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 -3.64 -14.38 -10.74 NaHCO3
Natron -6.34 -7.16 -0.82 Na2CO3:10H2O
Nesquehonite -2.62 -7.78 -5.17 MgCO3:3H2O
Pentahydrite -3.54 -4.83 -1.28 MgSO4:5H2O
Pirssonite -6.38 -15.61 -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 -10.12 -21.51 -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 -4.96 -1.46 1.000e+01 1.000e+01 5.980e-06
Calcite 0.00 -8.50 -8.50 0.000e+00 7.051e-06 7.051e-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 7.361e-04 7.361e-04
Ca 5.834e-03 5.834e-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 = 7.993 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 31375
Density (g/cm<63>) = 1.01092
Volume (L) = 1.00789
Activity of water = 0.990
Ionic strength = 3.751e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 7.579e-04
Total CO2 (mol/kg) = 7.361e-04
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.347e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.36
Iterations = 4
Gamma iterations = 2
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- 1.641e-06 9.853e-07 -5.785 -6.006 -0.221 -3.15
H+ 1.312e-08 1.017e-08 -7.882 -7.993 -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 25.17
C(4) 7.361e-04
HCO3- 6.964e-04 4.847e-04 -3.157 -3.315 -0.157 25.91
CO3-2 1.548e-05 2.182e-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 1.033e-05 1.093e-05 -4.986 -4.961 0.024 29.09
Ca 5.834e-03
Ca+2 5.834e-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+ 1.220e-06 1.133e-06 -5.914 -5.946 -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- 2.952e-09 2.019e-09 -8.530 -8.695 -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 -3.27 16.39 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 -3.26 -14.14 -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 -4.96 -1.46 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 -5.86 -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 -75.65 -86.45 -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 -4.96 -1.46 1.000e+01 1.000e+01 2.572e-04
Calcite -0.00 -8.50 -8.50 7.051e-06 2.775e-04 2.704e-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 -21.01 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.252e-03 4.401e-04
C 5.932e-04 2.085e-04
Ca 1.583e-02 5.564e-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 = 7.798 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 70414
Density (g/cm<63>) = 1.03527
Volume (L) = 0.35767
Activity of water = 0.972
Ionic strength = 1.065e+00
Mass of water (kg) = 3.514e-01
Total alkalinity (eq/kg) = 6.177e-04
Total CO2 (mol/kg) = 5.932e-04
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.347e-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 = 3.901314e+01
Total O = 1.956818e+01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 1.314e-06 6.173e-07 -5.882 -6.210 -0.328 -2.00
H+ 1.817e-08 1.594e-08 -7.741 -7.798 -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 25.47
C(4) 5.932e-04
HCO3- 5.532e-04 3.037e-04 -3.257 -3.518 -0.260 27.45
CO3-2 1.544e-05 8.723e-07 -4.811 -6.059 -1.248 0.62
MgCO3 1.517e-05 1.517e-05 -4.819 -4.819 0.000 -17.09
CO2 9.322e-06 1.093e-05 -5.030 -4.961 0.069 29.09
Ca 1.583e-02
Ca+2 1.583e-02 3.613e-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 1.517e-05 1.517e-05 -4.819 -4.819 0.000 -17.09
MgOH+ 1.969e-06 1.944e-06 -5.706 -5.711 -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- 6.566e-09 4.013e-09 -8.183 -8.397 -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 -3.23 -14.11 -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 -4.96 -1.46 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 -70.41 -81.22 -10.81 K8H6(SO4)7
Nahcolite -3.40 -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 -21.01 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.67 -14.86 -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 -9.42 -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 -4.96 -1.46 1.000e+01 1.000e+01 2.604e-05
Calcite 0.00 -8.50 -8.50 2.775e-04 3.051e-04 2.759e-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 5.542e-04 1.548e-04
Ca 1.982e-02 5.536e-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 = 7.742 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 82814
Density (g/cm<63>) = 1.04464
Volume (L) = 0.28547
Activity of water = 0.965
Ionic strength = 1.340e+00
Mass of water (kg) = 2.794e-01
Total alkalinity (eq/kg) = 5.795e-04
Total CO2 (mol/kg) = 5.542e-04
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.347e-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 = 3.101314e+01
Total O = 1.556805e+01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 1.227e-06 5.394e-07 -5.911 -6.268 -0.357 -1.59
H+ 1.925e-08 1.810e-08 -7.716 -7.742 -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 25.56
C(4) 5.542e-04
HCO3- 5.144e-04 2.653e-04 -3.289 -3.576 -0.288 28.02
MgCO3 1.553e-05 1.553e-05 -4.809 -4.809 0.000 -17.09
CO3-2 1.527e-05 6.711e-07 -4.816 -6.173 -1.357 1.25
CO2 8.949e-06 1.093e-05 -5.048 -4.961 0.087 29.09
Ca 1.982e-02
Ca+2 1.982e-02 4.697e-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 1.553e-05 1.553e-05 -4.809 -4.809 0.000 -17.09
MgOH+ 2.290e-06 2.259e-06 -5.640 -5.646 -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- 7.779e-09 4.628e-09 -8.109 -8.335 -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 -3.22 16.44 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 -3.22 -14.10 -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 -4.96 -1.46 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 -69.28 -80.09 -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 -4.96 -1.46 1.000e+01 1.000e+01 2.510e-05
Calcite 0.00 -8.50 -8.50 3.051e-04 3.317e-04 2.668e-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 4.970e-04 1.030e-04
Ca 2.658e-02 5.509e-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 = 7.659 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 102857
Density (g/cm<63>) = 1.06016
Volume (L) = 0.21331
Activity of water = 0.952
Ionic strength = 1.805e+00
Mass of water (kg) = 2.073e-01
Total alkalinity (eq/kg) = 5.235e-04
Total CO2 (mol/kg) = 4.970e-04
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.347e-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 = 2.301314e+01
Total O = 1.156792e+01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 1.102e-06 4.396e-07 -5.958 -6.357 -0.399 -0.90
H+ 2.045e-08 2.191e-08 -7.689 -7.659 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 25.67
C(4) 4.970e-04
HCO3- 4.578e-04 2.163e-04 -3.339 -3.665 -0.326 28.97
MgCO3 1.612e-05 1.612e-05 -4.793 -4.793 0.000 -17.09
CO3-2 1.474e-05 4.519e-07 -4.831 -6.345 -1.513 2.21
CO2 8.351e-06 1.093e-05 -5.078 -4.961 0.117 29.09
Ca 2.658e-02
Ca+2 2.658e-02 6.974e-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 1.612e-05 1.612e-05 -4.793 -4.793 0.000 -17.09
MgOH+ 2.932e-06 2.838e-06 -5.533 -5.547 -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- 9.726e-09 5.579e-09 -8.012 -8.253 -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 -3.21 16.45 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 -3.21 -14.09 -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 -4.96 -1.46 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 -5.89 -15.83 -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 -4.03 -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 -67.79 -78.59 -10.81 K8H6(SO4)7
Nahcolite -3.30 -14.04 -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 -9.68 -14.87 -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 -4.96 -1.46 1.000e+01 1.000e+01 2.152e-05
Calcite 0.00 -8.50 -8.50 3.317e-04 3.541e-04 2.239e-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 8.335e-04 8.335e-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 4.373e-04 5.913e-05
Ca 3.442e-02 4.654e-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 1.068e-01 1.444e-02
----------------------------Description of solution----------------------------
pH = 7.544 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 148778
Density (g/cm<63>) = 1.09019
Volume (L) = 0.14120
Activity of water = 0.923
Ionic strength = 2.742e+00
Mass of water (kg) = 1.352e-01
Total alkalinity (eq/kg) = 4.715e-04
Total CO2 (mol/kg) = 4.373e-04
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.347e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.36
Iterations = 11
Gamma iterations = 4
Osmotic coefficient = 1.00552
Density of water = 0.99704
Total H = 1.500981e+01
Total O = 7.562805e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 9.532e-07 3.265e-07 -6.021 -6.486 -0.465 0.41
H+ 1.975e-08 2.861e-08 -7.704 -7.544 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 25.84
C(4) 4.373e-04
HCO3- 3.947e-04 1.606e-04 -3.404 -3.794 -0.390 30.81
MgCO3 2.054e-05 2.054e-05 -4.687 -4.687 0.000 -17.09
CO3-2 1.484e-05 2.571e-07 -4.829 -6.590 -1.761 3.92
CO2 7.267e-06 1.093e-05 -5.139 -4.961 0.177 29.09
Ca 3.442e-02
Ca+2 3.442e-02 1.226e-02 -1.463 -1.912 -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+ 5.180e-06 4.722e-06 -5.286 -5.326 -0.040 (0)
Na 1.881e+00
Na+ 1.881e+00 1.553e+00 0.274 0.191 -0.083 0.40
S(6) 1.068e-01
SO4-2 1.068e-01 2.403e-03 -0.972 -2.619 -1.648 22.47
HSO4- 1.209e-08 6.550e-09 -7.918 -8.184 -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 -3.05 16.61 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 -3.12 -14.00 -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 -4.96 -1.46 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 -9.67 -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 -65.87 -76.68 -10.81 K8H6(SO4)7
Nahcolite -3.20 -13.94 -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 -4.96 -1.46 1.000e+01 1.000e+01 3.850e-06
Calcite 0.00 -8.50 -8.50 3.541e-04 3.576e-04 3.438e-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 8.335e-04 1.648e-03 8.148e-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 -3.57 -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 3.756e-03 4.401e-04
C 4.425e-04 5.184e-05
Ca 3.273e-02 3.835e-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 1.163e-01 1.362e-02
----------------------------Description of solution----------------------------
pH = 7.522 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 174595
Density (g/cm<63>) = 1.10238
Volume (L) = 0.12317
Activity of water = 0.909
Ionic strength = 3.137e+00
Mass of water (kg) = 1.172e-01
Total alkalinity (eq/kg) = 4.855e-04
Total CO2 (mol/kg) = 4.425e-04
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.347e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.36
Iterations = 8
Gamma iterations = 3
Osmotic coefficient = 1.03330
Density of water = 0.99704
Total H = 1.300655e+01
Total O = 6.557898e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 9.413e-07 3.063e-07 -6.026 -6.514 -0.488 0.95
H+ 1.799e-08 3.004e-08 -7.745 -7.522 0.223 0.00
H2O 5.551e+01 9.093e-01 1.744 -0.041 0.000 18.07
Br 3.756e-03
Br- 3.756e-03 2.478e-03 -2.425 -2.606 -0.181 25.90
C(4) 4.425e-04
HCO3- 3.937e-04 1.507e-04 -3.405 -3.822 -0.417 31.57
MgCO3 2.576e-05 2.576e-05 -4.589 -4.589 0.000 -17.09
CO3-2 1.617e-05 2.297e-07 -4.791 -6.639 -1.848 4.58
CO2 6.853e-06 1.093e-05 -5.164 -4.961 0.203 29.09
Ca 3.273e-02
Ca+2 3.273e-02 1.372e-02 -1.485 -1.863 -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+ 7.006e-06 6.220e-06 -5.155 -5.206 -0.052 (0)
Na 2.171e+00
Na+ 2.171e+00 1.894e+00 0.337 0.277 -0.059 0.52
S(6) 1.163e-01
SO4-2 1.163e-01 2.211e-03 -0.935 -2.655 -1.721 23.03
HSO4- 1.193e-08 6.328e-09 -7.924 -8.199 -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 -2.88 16.78 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 -3.03 -13.91 -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 -4.96 -1.46 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 -3.57 -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 -65.45 -76.25 -10.81 K8H6(SO4)7
Nahcolite -3.14 -13.88 -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 -9.70 -14.89 -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 -4.96 -1.46 1.000e+01 1.000e+01 3.919e-06
Calcite 0.00 -8.50 -8.50 3.576e-04 3.608e-04 3.224e-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 1.648e-03 2.510e-03 8.617e-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 4.510e-04 4.470e-05
Ca 2.997e-02 2.970e-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 = 7.495 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 219619
Density (g/cm<63>) = 1.11851
Volume (L) = 0.10515
Activity of water = 0.890
Ionic strength = 3.673e+00
Mass of water (kg) = 9.912e-02
Total alkalinity (eq/kg) = 5.088e-04
Total CO2 (mol/kg) = 4.510e-04
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.347e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.37
Iterations = 8
Gamma iterations = 3
Osmotic coefficient = 1.07287
Density of water = 0.99704
Total H = 1.100310e+01
Total O = 5.552710e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 9.227e-07 2.814e-07 -6.035 -6.551 -0.516 1.67
H+ 1.570e-08 3.202e-08 -7.804 -7.495 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 25.97
C(4) 4.510e-04
HCO3- 3.919e-04 1.384e-04 -3.407 -3.859 -0.452 32.59
MgCO3 3.494e-05 3.494e-05 -4.457 -4.457 0.000 -17.09
CO3-2 1.781e-05 1.980e-07 -4.749 -6.703 -1.954 5.43
CO2 6.329e-06 1.093e-05 -5.199 -4.961 0.237 29.09
Ca 2.997e-02
Ca+2 2.997e-02 1.592e-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 3.494e-05 3.494e-05 -4.457 -4.457 0.000 -17.09
MgOH+ 1.053e-05 8.989e-06 -4.978 -5.046 -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 1.989e-03 -0.890 -2.701 -1.811 23.74
HSO4- 1.174e-08 6.066e-09 -7.930 -8.217 -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 -5.66 -1.88 K2SO4
Artinite -2.65 17.01 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 -9.79 -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 -4.96 -1.46 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 -3.58 -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 -64.93 -75.73 -10.81 K8H6(SO4)7
Nahcolite -3.07 -13.81 -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 -9.71 -14.90 -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 -3.78 -10.21 -6.43 K2Ca(SO4)2:H2O
Thenardite -1.63 -1.93 -0.30 Na2SO4
Trona -8.46 -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 -4.96 -1.46 1.000e+01 1.000e+01 4.037e-06
Calcite 0.00 -8.50 -8.50 3.608e-04 3.634e-04 2.627e-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 -0.82 -6.18 -5.35 0.000e+00 0 0.000e+00
Gypsum 0.00 -4.60 -4.60 2.510e-03 3.405e-03 8.951e-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 4.692e-04 3.803e-05
Ca 2.557e-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 1.464e-01 1.187e-02
----------------------------Description of solution----------------------------
pH = 7.457 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 286768
Density (g/cm<63>) = 1.14090
Volume (L) = 0.08716
Activity of water = 0.861
Ionic strength = 4.446e+00
Mass of water (kg) = 8.107e-02
Total alkalinity (eq/kg) = 5.573e-04
Total CO2 (mol/kg) = 4.692e-04
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.347e-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 = 8.999524e+00
Total O = 4.547324e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 8.935e-07 2.497e-07 -6.049 -6.603 -0.554 2.70
H+ 1.271e-08 3.490e-08 -7.896 -7.457 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 26.05
C(4) 4.692e-04
HCO3- 3.895e-04 1.228e-04 -3.409 -3.911 -0.501 34.06
MgCO3 5.419e-05 5.419e-05 -4.266 -4.266 0.000 -17.09
CO3-2 1.983e-05 1.612e-07 -4.703 -6.793 -2.090 6.59
CO2 5.643e-06 1.093e-05 -5.248 -4.961 0.287 29.09
Ca 2.557e-02
Ca+2 2.557e-02 1.956e-02 -1.592 -1.709 -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 5.419e-05 5.419e-05 -4.266 -4.266 0.000 -17.09
MgOH+ 1.888e-05 1.519e-05 -4.724 -4.818 -0.094 (0)
Na 3.138e+00
Na+ 3.138e+00 3.377e+00 0.497 0.529 0.032 0.88
S(6) 1.464e-01
SO4-2 1.464e-01 1.731e-03 -0.835 -2.762 -1.927 24.68
HSO4- 1.157e-08 5.754e-09 -7.937 -8.240 -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 -2.33 17.33 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 -2.73 -13.61 -10.88 Mg(OH)2
Burkeite -8.37 -9.14 -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 -4.96 -1.46 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 -9.11 -3.80 NaK3(SO4)2
Glauberite -0.82 -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 -5.68 -15.62 -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 -64.26 -75.06 -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 -8.20 -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 -4.96 -1.46 1.000e+01 1.000e+01 4.430e-06
Calcite 0.00 -8.50 -8.50 3.634e-04 3.640e-04 6.141e-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 3.405e-03 4.283e-03 8.783e-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 5.235e-04 3.299e-05
Ca 1.894e-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 1.099e-02
----------------------------Description of solution----------------------------
pH = 7.403 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 361818
Density (g/cm<63>) = 1.17419
Volume (L) = 0.06922
Activity of water = 0.811
Ionic strength = 5.663e+00
Mass of water (kg) = 6.302e-02
Total alkalinity (eq/kg) = 6.974e-04
Total CO2 (mol/kg) = 5.235e-04
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.347e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.37
Iterations = 11
Gamma iterations = 4
Osmotic coefficient = 1.23314
Density of water = 0.99704
Total H = 6.996011e+00
Total O = 3.542043e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 8.461e-07 2.076e-07 -6.073 -6.683 -0.610 4.28
H+ 8.879e-09 3.955e-08 -8.052 -7.403 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 26.15
C(4) 5.235e-04
HCO3- 3.879e-04 1.021e-04 -3.411 -3.991 -0.580 36.33
MgCO3 1.087e-04 1.087e-04 -3.964 -3.964 0.000 -17.09
CO3-2 2.218e-05 1.183e-07 -4.654 -6.927 -2.273 8.30
CO2 4.715e-06 1.093e-05 -5.327 -4.961 0.365 29.09
Ca 1.894e-02
Ca+2 1.894e-02 2.665e-02 -1.723 -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 5.965e-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 1.087e-04 1.087e-04 -3.964 -3.964 0.000 -17.09
MgOH+ 4.696e-05 3.453e-05 -4.328 -4.462 -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 1.430e-03 -0.759 -2.845 -2.086 25.99
HSO4- 1.151e-08 5.388e-09 -7.939 -8.269 -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 -1.83 17.83 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 -2.45 -13.33 -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 -4.96 -1.46 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 -5.61 -15.55 -9.94 KHCO3
Kieserite -2.63 -2.90 -0.27 MgSO4:H2O
Labile_S -1.67 -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 -63.32 -74.12 -10.81 K8H6(SO4)7
Nahcolite -2.85 -13.59 -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 -9.75 -14.94 -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 -19.23 -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 -4.96 -1.46 1.000e+01 1.000e+01 6.121e-06
Calcite 0.00 -8.50 -8.50 3.640e-04 3.608e-04 -3.240e-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 1.751e-03 1.751e-03
Gypsum 0.00 -4.60 -4.60 4.283e-03 3.139e-03 -1.145e-03
Halite 0.00 1.58 1.58 0.000e+00 2.035e-02 2.035e-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 -2.54 -16.29 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 9.771e-03 4.401e-04
C 6.684e-04 3.011e-05
Ca 1.312e-02 5.910e-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 = 7.308 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 469788
Density (g/cm<63>) = 1.21416
Volume (L) = 0.05088
Activity of water = 0.739
Ionic strength = 7.301e+00
Mass of water (kg) = 4.505e-02
Total alkalinity (eq/kg) = 1.120e-03
Total CO2 (mol/kg) = 6.684e-04
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.347e-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 = 5.000590e+00
Total O = 2.534904e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 7.644e-07 1.519e-07 -6.117 -6.818 -0.702 6.37
H+ 5.583e-09 4.923e-08 -8.253 -7.308 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 26.24
C(4) 6.684e-04
HCO3- 3.699e-04 7.475e-05 -3.432 -4.126 -0.694 39.34
MgCO3 2.723e-04 2.723e-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 3.727e-06 1.093e-05 -5.429 -4.961 0.467 29.09
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 2.723e-04 2.723e-04 -3.565 -3.565 0.000 -17.09
MgOH+ 1.593e-04 1.077e-04 -3.798 -3.968 -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- 1.086e-08 4.752e-09 -7.964 -8.323 -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 -1.19 18.47 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 -4.96 -1.46 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 -62.11 -72.91 -10.81 K8H6(SO4)7
Nahcolite -2.73 -13.47 -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 -2.54 -16.29 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.79 -14.98 -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 -18.91 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 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 -4.96 -1.46 1.000e+01 1.000e+01 3.209e-06
Calcite 0.00 -8.50 -8.50 3.608e-04 3.589e-04 -1.932e-06
Carnallite -3.21 1.22 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 1.751e-03 3.823e-03 2.073e-03
Gypsum 0.00 -4.60 -4.60 3.139e-03 1.359e-03 -1.780e-03
Halite 0.00 1.58 1.58 2.035e-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 1.064e-03 2.883e-05
Ca 1.108e-02 3.002e-04
Cl 6.101e+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 2.313e-01 6.266e-03
----------------------------Description of solution----------------------------
pH = 7.313 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 486915
Density (g/cm<63>) = 1.21994
Volume (L) = 0.03051
Activity of water = 0.729
Ionic strength = 7.901e+00
Mass of water (kg) = 2.709e-02
Total alkalinity (eq/kg) = 2.004e-03
Total CO2 (mol/kg) = 1.064e-03
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.347e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.65
Iterations = 12
Gamma iterations = 4
Osmotic coefficient = 1.46459
Density of water = 0.99704
Total H = 3.007710e+00
Total O = 1.529002e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 1.059e-06 1.517e-07 -5.975 -6.819 -0.844 7.13
H+ 4.834e-09 4.864e-08 -8.316 -7.313 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 26.26
C(4) 1.064e-03
MgCO3 5.840e-04 5.840e-04 -3.234 -3.234 0.000 -17.09
HCO3- 4.322e-04 7.464e-05 -3.364 -4.127 -0.763 40.43
CO3-2 4.439e-05 7.026e-08 -4.353 -7.153 -2.801 11.19
CO2 3.578e-06 1.093e-05 -5.446 -4.961 0.485 29.09
Ca 1.108e-02
Ca+2 1.108e-02 4.486e-02 -1.955 -1.348 0.607 -13.55
Cl 6.101e+00
Cl- 6.101e+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 9.809e+00 0.015 0.992 0.977 -16.95
MgCO3 5.840e-04 5.840e-04 -3.234 -3.234 0.000 -17.09
MgOH+ 3.140e-04 2.283e-04 -3.503 -3.642 -0.138 (0)
Na 4.391e+00
Na+ 4.391e+00 9.485e+00 0.643 0.977 0.334 1.64
S(6) 2.313e-01
SO4-2 2.313e-01 1.052e-03 -0.636 -2.978 -2.342 28.08
HSO4- 9.319e-09 4.874e-09 -8.031 -8.312 -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 -0.55 19.11 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 -1.77 -12.65 -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 1.22 4.42 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 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 -5.29 -15.23 -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 -60.06 -70.86 -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 -13.98 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -1.68 -15.43 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.80 -14.99 -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 -18.96 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 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 -4.96 -1.46 1.000e+01 1.000e+01 9.678e-07
Calcite 0.00 -8.50 -8.50 3.589e-04 3.565e-04 -2.371e-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 3.823e-03 4.242e-03 4.189e-04
Gypsum 0.00 -4.60 -4.60 1.359e-03 1.014e-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 1.338e-03 3.023e-05
Ca 1.013e-02 2.288e-04
Cl 6.130e+00 1.385e-01
K 2.194e-01 4.960e-03
Mg 1.242e+00 2.807e-02
Na 4.043e+00 9.138e-02
S 2.554e-01 5.773e-03
----------------------------Description of solution----------------------------
pH = 7.316 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 497710
Density (g/cm<63>) = 1.22333
Volume (L) = 0.02542
Activity of water = 0.723
Ionic strength = 8.219e+00
Mass of water (kg) = 2.260e-02
Total alkalinity (eq/kg) = 2.612e-03
Total CO2 (mol/kg) = 1.338e-03
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.347e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.77
Iterations = 9
Gamma iterations = 3
Osmotic coefficient = 1.50725
Density of water = 0.99704
Total H = 2.509090e+00
Total O = 1.277726e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 1.241e-06 1.515e-07 -5.906 -6.820 -0.914 7.52
H+ 4.464e-09 4.834e-08 -8.350 -7.316 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 26.27
C(4) 1.338e-03
MgCO3 8.032e-04 8.032e-04 -3.095 -3.095 0.000 -17.09
HCO3- 4.694e-04 7.452e-05 -3.328 -4.128 -0.799 41.01
CO3-2 6.160e-05 7.059e-08 -4.210 -7.151 -2.941 11.58
CO2 3.495e-06 1.093e-05 -5.457 -4.961 0.495 29.09
Ca 1.013e-02
Ca+2 1.013e-02 4.465e-02 -1.995 -1.350 0.644 -13.43
Cl 6.130e+00
Cl- 6.130e+00 4.096e+00 0.787 0.612 -0.175 20.39
K 2.194e-01
K+ 2.194e-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 8.032e-04 8.032e-04 -3.095 -3.095 0.000 -17.09
MgOH+ 4.118e-04 3.120e-04 -3.385 -3.506 -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 -2.376 28.35
HSO4- 8.675e-09 4.943e-09 -8.062 -8.306 -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 -0.29 19.37 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 -1.63 -12.51 -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 -4.96 -1.46 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 -5.20 -15.14 -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 -59.27 -70.08 -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 -6.44 -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 -9.80 -14.99 -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 -18.99 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 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 -4.96 -1.46 1.000e+01 1.000e+01 1.189e-06
Calcite 0.00 -8.50 -8.50 3.565e-04 3.514e-04 -5.134e-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 4.242e-03 4.534e-03 2.916e-04
Gypsum 0.00 -4.60 -4.60 1.014e-03 7.971e-04 -2.165e-04
Halite 0.00 1.58 1.58 1.545e-01 1.811e-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 1.888e-03 3.418e-05
Ca 8.777e-03 1.589e-04
Cl 6.181e+00 1.119e-01
K 2.739e-01 4.960e-03
Mg 1.550e+00 2.807e-02
Na 3.543e+00 6.416e-02
S 2.986e-01 5.406e-03
----------------------------Description of solution----------------------------
pH = 7.320 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 516691
Density (g/cm<63>) = 1.22913
Volume (L) = 0.02033
Activity of water = 0.714
Ionic strength = 8.724e+00
Mass of water (kg) = 1.811e-02
Total alkalinity (eq/kg) = 3.828e-03
Total CO2 (mol/kg) = 1.888e-03
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.347e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.94
Iterations = 10
Gamma iterations = 4
Osmotic coefficient = 1.57493
Density of water = 0.99704
Total H = 2.009956e+00
Total O = 1.026706e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 1.570e-06 1.509e-07 -5.804 -6.821 -1.017 8.16
H+ 3.917e-09 4.788e-08 -8.407 -7.320 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 26.29
C(4) 1.888e-03
MgCO3 1.249e-03 1.249e-03 -2.903 -2.903 0.000 -17.09
HCO3- 5.357e-04 7.423e-05 -3.271 -4.129 -0.858 41.94
CO3-2 9.941e-05 7.098e-08 -4.003 -7.149 -3.146 12.20
CO2 3.357e-06 1.093e-05 -5.474 -4.961 0.513 29.09
Ca 8.777e-03
Ca+2 8.777e-03 4.441e-02 -2.057 -1.353 0.704 -13.24
Cl 6.181e+00
Cl- 6.181e+00 4.220e+00 0.791 0.625 -0.166 20.45
K 2.739e-01
K+ 2.739e-01 2.771e-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 1.128 -16.60
MgCO3 1.249e-03 1.249e-03 -2.903 -2.903 0.000 -17.09
MgOH+ 5.930e-04 4.807e-04 -3.227 -3.318 -0.091 (0)
Na 3.543e+00
Na+ 3.543e+00 9.043e+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- 7.841e-09 5.058e-09 -8.106 -8.296 -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 0.07 19.73 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 -1.45 -12.33 -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 -4.96 -1.46 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 -58.26 -69.06 -10.81 K8H6(SO4)7
Nahcolite -2.77 -13.51 -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 -9.81 -15.00 -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 -4.96 -1.46 1.000e+01 1.000e+01 1.156e-06
Calcite 0.00 -8.50 -8.50 3.514e-04 3.434e-04 -7.971e-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 4.534e-03 4.565e-03 3.071e-05
Gypsum 0.00 -4.60 -4.60 7.971e-04 8.218e-04 2.471e-05
Halite 0.00 1.58 1.58 1.811e-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 2.745e-03 4.099e-05
Ca 7.463e-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 5.320e-03
----------------------------Description of solution----------------------------
pH = 7.324 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 538786
Density (g/cm<63>) = 1.23648
Volume (L) = 0.01675
Activity of water = 0.702
Ionic strength = 9.307e+00
Mass of water (kg) = 1.493e-02
Total alkalinity (eq/kg) = 5.708e-03
Total CO2 (mol/kg) = 2.745e-03
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.347e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.11
Iterations = 10
Gamma iterations = 4
Osmotic coefficient = 1.65207
Density of water = 0.99704
Total H = 1.657857e+00
Total O = 8.503335e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 2.005e-06 1.499e-07 -5.698 -6.824 -1.126 8.89
H+ 3.353e-09 4.741e-08 -8.475 -7.324 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 26.31
C(4) 2.745e-03
MgCO3 1.954e-03 1.954e-03 -2.709 -2.709 0.000 -17.09
HCO3- 6.254e-04 7.372e-05 -3.204 -4.132 -0.929 42.99
CO3-2 1.629e-04 7.120e-08 -3.788 -7.148 -3.359 12.89
CO2 3.190e-06 1.093e-05 -5.496 -4.961 0.535 29.09
Ca 7.463e-03
Ca+2 7.463e-03 4.427e-02 -2.127 -1.354 0.773 -13.02
Cl 6.245e+00
Cl- 6.245e+00 4.372e+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 3.238e+01 0.273 1.510 1.237 -16.35
MgCO3 1.954e-03 1.954e-03 -2.709 -2.709 0.000 -17.09
MgOH+ 8.478e-04 7.442e-04 -3.072 -3.128 -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 1.151e-03 -0.448 -2.939 -2.491 29.24
HSO4- 7.103e-09 5.196e-09 -8.149 -8.284 -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 0.43 20.09 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 -1.26 -12.14 -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 -4.96 -1.46 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 -57.31 -68.11 -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 -19.10 -11.38 Na3H(CO3)2:2H2O
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 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 -4.96 -1.46 1.000e+01 1.000e+01 4.284e-07
Calcite 0.00 -8.50 -8.50 3.434e-04 3.397e-04 -3.732e-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 4.565e-03 4.521e-03 -4.301e-05
Gypsum 0.00 -4.60 -4.60 8.218e-04 8.816e-04 5.975e-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 3.157e-03 4.430e-05
Ca 7.017e-03 9.845e-05
Cl 6.271e+00 8.799e-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 = 7.326 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 547989
Density (g/cm<63>) = 1.23954
Volume (L) = 0.01574
Activity of water = 0.697
Ionic strength = 9.535e+00
Mass of water (kg) = 1.403e-02
Total alkalinity (eq/kg) = 6.608e-03
Total CO2 (mol/kg) = 3.157e-03
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.347e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.17
Iterations = 8
Gamma iterations = 3
Osmotic coefficient = 1.68163
Density of water = 0.99704
Total H = 1.557618e+00
Total O = 8.003295e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 2.189e-06 1.493e-07 -5.660 -6.826 -1.166 9.17
H+ 3.153e-09 4.724e-08 -8.501 -7.326 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 3.678e-02 -1.504 -1.434 0.069 26.31
C(4) 3.157e-03
MgCO3 2.295e-03 2.295e-03 -2.639 -2.639 0.000 -17.09
HCO3- 6.647e-04 7.347e-05 -3.177 -4.134 -0.957 43.39
CO3-2 1.944e-04 7.121e-08 -3.711 -7.147 -3.436 13.15
CO2 3.124e-06 1.093e-05 -5.505 -4.961 0.544 29.09
Ca 7.017e-03
Ca+2 7.017e-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 3.803e+01 0.300 1.580 1.280 -16.26
MgCO3 2.295e-03 2.295e-03 -2.639 -2.639 0.000 -17.09
MgOH+ 9.620e-04 8.711e-04 -3.017 -3.060 -0.043 (0)
Na 2.870e+00
Na+ 2.870e+00 8.607e+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- 6.866e-09 5.251e-09 -8.163 -8.280 -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 0.56 20.22 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 -1.19 -12.07 -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 -4.96 -1.46 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 -56.98 -67.79 -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 -9.82 -15.01 -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 -4.96 -1.46 1.000e+01 1.000e+01 5.023e-07
Calcite -0.00 -8.50 -8.50 3.397e-04 3.348e-04 -4.890e-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 4.521e-03 4.442e-03 -7.969e-05
Gypsum 0.00 -4.60 -4.60 8.816e-04 9.789e-04 9.728e-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 3.709e-03 4.869e-05
Ca 6.533e-03 8.575e-05
Cl 6.302e+00 8.273e-02
K 3.779e-01 4.960e-03
Mg 2.138e+00 2.807e-02
Na 2.679e+00 3.516e-02
S 4.120e-01 5.408e-03
----------------------------Description of solution----------------------------
pH = 7.327 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 559271
Density (g/cm<63>) = 1.24324
Volume (L) = 0.01472
Activity of water = 0.691
Ionic strength = 9.804e+00
Mass of water (kg) = 1.313e-02
Total alkalinity (eq/kg) = 7.808e-03
Total CO2 (mol/kg) = 3.709e-03
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.347e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.23
Iterations = 9
Gamma iterations = 3
Osmotic coefficient = 1.71605
Density of water = 0.99704
Total H = 1.457229e+00
Total O = 7.503970e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 2.417e-06 1.487e-07 -5.617 -6.828 -1.211 9.50
H+ 2.931e-09 4.705e-08 -8.533 -7.327 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 4.032e-02 -1.475 -1.394 0.080 26.32
C(4) 3.709e-03
MgCO3 2.754e-03 2.754e-03 -2.560 -2.560 0.000 -17.09
HCO3- 7.148e-04 7.313e-05 -3.146 -4.136 -0.990 43.88
CO3-2 2.370e-04 7.117e-08 -3.625 -7.148 -3.523 13.47
CO2 3.045e-06 1.093e-05 -5.516 -4.961 0.555 29.09
Ca 6.533e-03
Ca+2 6.533e-03 4.429e-02 -2.185 -1.354 0.831 -12.83
Cl 6.302e+00
Cl- 6.302e+00 4.508e+00 0.800 0.654 -0.146 20.57
K 3.779e-01
K+ 3.779e-01 4.234e-01 -0.423 -0.373 0.049 13.77
Mg 2.138e+00
Mg+2 2.135e+00 4.567e+01 0.329 1.660 1.330 -16.14
MgCO3 2.754e-03 2.754e-03 -2.560 -2.560 0.000 -17.09
MgOH+ 1.108e-03 1.041e-03 -2.955 -2.982 -0.027 (0)
Na 2.679e+00
Na+ 2.679e+00 8.465e+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- 6.618e-09 5.316e-09 -8.179 -8.274 -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 0.70 20.36 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 -1.12 -12.00 -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 -4.96 -1.46 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 -56.63 -67.43 -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 -9.82 -15.01 -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 -4.96 -1.46 1.000e+01 1.000e+01 4.306e-07
Calcite 0.00 -8.50 -8.50 3.348e-04 3.301e-04 -4.654e-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 4.442e-03 3.881e-03 -5.609e-04
Gypsum 0.00 -4.60 -4.60 9.789e-04 1.003e-03 2.426e-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 2.764e-04 2.764e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 3.603e-02 4.401e-04
C 4.332e-03 5.291e-05
Ca 6.073e-03 7.418e-05
Cl 6.310e+00 7.708e-02
K 3.608e-01 4.407e-03
Mg 2.275e+00 2.779e-02
Na 2.508e+00 3.063e-02
S 4.421e-01 5.400e-03
----------------------------Description of solution----------------------------
pH = 7.328 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 567771
Density (g/cm<63>) = 1.24628
Volume (L) = 0.01369
Activity of water = 0.686
Ionic strength = 1.005e+01
Mass of water (kg) = 1.221e-02
Total alkalinity (eq/kg) = 9.153e-03
Total CO2 (mol/kg) = 4.332e-03
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.347e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.31
Iterations = 9
Gamma iterations = 3
Osmotic coefficient = 1.75345
Density of water = 0.99704
Total H = 1.356026e+00
Total O = 6.997759e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 2.676e-06 1.476e-07 -5.572 -6.831 -1.259 9.80
H+ 2.745e-09 4.704e-08 -8.561 -7.328 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 26.32
C(4) 4.332e-03
MgCO3 3.271e-03 3.271e-03 -2.485 -2.485 0.000 -17.09
HCO3- 7.669e-04 7.259e-05 -3.115 -4.139 -1.024 44.32
CO3-2 2.905e-04 7.066e-08 -3.537 -7.151 -3.614 13.75
CO2 2.971e-06 1.093e-05 -5.527 -4.961 0.566 29.09
Ca 6.073e-03
Ca+2 6.073e-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 3.608e-01
K+ 3.608e-01 4.153e-01 -0.443 -0.382 0.061 13.88
Mg 2.275e+00
Mg+2 2.271e+00 5.463e+01 0.356 1.737 1.381 -16.04
MgCO3 3.271e-03 3.271e-03 -2.485 -2.485 0.000 -17.09
MgOH+ 1.260e-03 1.236e-03 -2.900 -2.908 -0.008 (0)
Na 2.508e+00
Na+ 2.508e+00 8.366e+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- 6.346e-09 5.359e-09 -8.198 -8.271 -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 0.84 20.50 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 -4.96 -1.46 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 16.62 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 -56.67 -67.47 -10.81 K8H6(SO4)7
Nahcolite -2.81 -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 -4.96 -1.46 1.000e+01 1.000e+01 4.126e-07
Calcite 0.00 -8.50 -8.50 3.301e-04 3.250e-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 3.881e-03 3.050e-03 -8.308e-04
Gypsum 0.00 -4.60 -4.60 1.003e-03 9.977e-04 -5.441e-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 2.764e-04 7.026e-04 4.261e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 3.895e-02 4.401e-04
C 5.099e-03 5.762e-05
Ca 5.605e-03 6.334e-05
Cl 6.303e+00 7.122e-02
K 3.146e-01 3.555e-03
Mg 2.422e+00 2.737e-02
Na 2.339e+00 2.643e-02
S 4.746e-01 5.363e-03
----------------------------Description of solution----------------------------
pH = 7.327 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 575196
Density (g/cm<63>) = 1.24919
Volume (L) = 0.01264
Activity of water = 0.680
Ionic strength = 1.029e+01
Mass of water (kg) = 1.130e-02
Total alkalinity (eq/kg) = 1.080e-02
Total CO2 (mol/kg) = 5.099e-03
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.347e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.40
Iterations = 9
Gamma iterations = 3
Osmotic coefficient = 1.79633
Density of water = 0.99704
Total H = 1.254344e+00
Total O = 6.487996e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 2.993e-06 1.461e-07 -5.524 -6.835 -1.312 10.11
H+ 2.571e-09 4.715e-08 -8.590 -7.327 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 26.33
C(4) 5.099e-03
MgCO3 3.907e-03 3.907e-03 -2.408 -2.408 0.000 -17.09
HCO3- 8.264e-04 7.185e-05 -3.083 -4.144 -1.061 44.76
CO3-2 3.626e-04 6.978e-08 -3.441 -7.156 -3.716 14.03
CO2 2.894e-06 1.093e-05 -5.538 -4.961 0.577 29.09
Ca 5.605e-03
Ca+2 5.605e-03 4.517e-02 -2.251 -1.345 0.906 -12.65
Cl 6.303e+00
Cl- 6.303e+00 4.605e+00 0.800 0.663 -0.136 20.62
K 3.146e-01
K+ 3.146e-01 3.734e-01 -0.502 -0.428 0.074 13.98
Mg 2.422e+00
Mg+2 2.417e+00 6.608e+01 0.383 1.820 1.437 -15.94
MgCO3 3.907e-03 3.907e-03 -2.408 -2.408 0.000 -17.09
MgOH+ 1.431e-03 1.480e-03 -2.844 -2.830 0.015 (0)
Na 2.339e+00
Na+ 2.339e+00 8.286e+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- 6.049e-09 5.389e-09 -8.218 -8.268 -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 0.98 20.64 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 -0.97 -11.85 -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 -4.96 -1.46 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 -57.02 -67.83 -10.81 K8H6(SO4)7
Nahcolite -2.82 -13.56 -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 -9.83 -15.02 -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 -7.83 -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 -4.96 -1.46 1.000e+01 1.000e+01 3.007e-07
Calcite 0.00 -8.50 -8.50 3.250e-04 3.209e-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 3.050e-03 2.553e-03 -4.971e-04
Gypsum 0.00 -4.60 -4.60 9.977e-04 1.022e-03 2.423e-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 7.026e-04 9.442e-04 2.417e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 4.095e-02 4.401e-04
C 5.716e-03 6.144e-05
Ca 5.300e-03 5.697e-05
Cl 6.300e+00 6.772e-02
K 2.857e-01 3.071e-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 = 7.326 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 581058
Density (g/cm<63>) = 1.25142
Volume (L) = 0.01202
Activity of water = 0.676
Ionic strength = 1.047e+01
Mass of water (kg) = 1.075e-02
Total alkalinity (eq/kg) = 1.212e-02
Total CO2 (mol/kg) = 5.716e-03
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.347e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.47
Iterations = 8
Gamma iterations = 3
Osmotic coefficient = 1.82652
Density of water = 0.99704
Total H = 1.193280e+00
Total O = 6.182926e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 3.229e-06 1.450e-07 -5.491 -6.839 -1.348 10.33
H+ 2.453e-09 4.722e-08 -8.610 -7.326 1.285 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 5.232e-02 -1.388 -1.281 0.106 26.33
C(4) 5.716e-03
MgCO3 4.420e-03 4.420e-03 -2.355 -2.355 0.000 -17.09
HCO3- 8.720e-04 7.132e-05 -3.059 -4.147 -1.087 45.09
CO3-2 4.216e-04 6.916e-08 -3.375 -7.160 -3.785 14.24
CO2 2.839e-06 1.093e-05 -5.547 -4.961 0.586 29.09
Ca 5.300e-03
Ca+2 5.300e-03 4.557e-02 -2.276 -1.341 0.934 -12.59
Cl 6.300e+00
Cl- 6.300e+00 4.639e+00 0.799 0.666 -0.133 20.64
K 2.857e-01
K+ 2.857e-01 3.464e-01 -0.544 -0.460 0.084 14.06
Mg 2.524e+00
Mg+2 2.518e+00 7.541e+01 0.401 1.877 1.476 -15.86
MgCO3 4.420e-03 4.420e-03 -2.355 -2.355 0.000 -17.09
MgOH+ 1.563e-03 1.677e-03 -2.806 -2.775 0.030 (0)
Na 2.226e+00
Na+ 2.226e+00 8.225e+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- 5.861e-09 5.413e-09 -8.232 -8.267 -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 -0.92 -11.80 -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 -4.96 -1.46 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 -6.31 -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 6.77 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 -57.27 -68.08 -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 -9.83 -15.02 -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 -4.96 -1.46 1.000e+01 1.000e+01 3.548e-07
Calcite 0.00 -8.50 -8.50 3.209e-04 3.156e-04 -5.251e-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 2.553e-03 2.054e-03 -4.992e-04
Gypsum 0.00 -4.60 -4.60 1.022e-03 1.073e-03 5.152e-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 9.442e-04 1.174e-03 2.296e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 4.316e-02 4.401e-04
C 6.505e-03 6.634e-05
Ca 4.974e-03 5.073e-05
Cl 6.299e+00 6.423e-02
K 2.562e-01 2.612e-03
Mg 2.637e+00 2.690e-02
Na 2.103e+00 2.144e-02
S 5.290e-01 5.395e-03
----------------------------Description of solution----------------------------
pH = 7.325 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 588361
Density (g/cm<63>) = 1.25414
Volume (L) = 0.01139
Activity of water = 0.672
Ionic strength = 1.068e+01
Mass of water (kg) = 1.020e-02
Total alkalinity (eq/kg) = 1.381e-02
Total CO2 (mol/kg) = 6.505e-03
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.347e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.53
Iterations = 8
Gamma iterations = 3
Osmotic coefficient = 1.86083
Density of water = 0.99704
Total H = 1.132156e+00
Total O = 5.878596e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 3.511e-06 1.437e-07 -5.455 -6.842 -1.388 10.59
H+ 2.321e-09 4.730e-08 -8.634 -7.325 1.309 0.00
H2O 5.551e+01 6.716e-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 26.33
C(4) 6.505e-03
MgCO3 5.076e-03 5.076e-03 -2.294 -2.294 0.000 -17.09
HCO3- 9.281e-04 7.070e-05 -3.032 -4.151 -1.118 45.46
CO3-2 4.977e-04 6.845e-08 -3.303 -7.165 -3.862 14.48
CO2 2.774e-06 1.093e-05 -5.557 -4.961 0.595 29.09
Ca 4.974e-03
Ca+2 4.974e-03 4.605e-02 -2.303 -1.337 0.966 -12.51
Cl 6.299e+00
Cl- 6.299e+00 4.681e+00 0.799 0.670 -0.129 20.66
K 2.562e-01
K+ 2.562e-01 3.181e-01 -0.592 -0.497 0.094 14.15
Mg 2.637e+00
Mg+2 2.631e+00 8.752e+01 0.420 1.942 1.522 -15.77
MgCO3 5.076e-03 5.076e-03 -2.294 -2.294 0.000 -17.09
MgOH+ 1.726e-03 1.929e-03 -2.763 -2.715 0.048 (0)
Na 2.103e+00
Na+ 2.103e+00 8.152e+00 0.323 0.911 0.588 2.15
S(6) 5.290e-01
SO4-2 5.290e-01 1.208e-03 -0.277 -2.918 -2.641 30.29
HSO4- 5.667e-09 5.442e-09 -8.247 -8.264 -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 1.18 20.84 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 -4.96 -1.46 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 -57.55 -68.36 -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 -9.83 -15.02 -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 -7.88 -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 1.189e-03 1.189e-03
Bischofite -2.29 2.30 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.083e-07
Calcite 0.00 -8.50 -8.50 3.156e-04 3.085e-04 -7.074e-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 2.054e-03 1.557e-03 -4.972e-04
Gypsum -0.00 -4.60 -4.60 1.073e-03 0 -1.073e-03
Halite 0.00 1.58 1.58 2.288e-01 2.321e-01 3.245e-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 1.974e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 4.542e-02 4.401e-04
C 7.534e-03 7.300e-05
Ca 4.610e-03 4.466e-05
Cl 6.295e+00 6.099e-02
K 2.289e-01 2.217e-03
Mg 2.756e+00 2.670e-02
Na 1.981e+00 1.919e-02
S 5.660e-01 5.484e-03
----------------------------Description of solution----------------------------
pH = 7.327 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 596923
Density (g/cm<63>) = 1.25742
Volume (L) = 0.01081
Activity of water = 0.666
Ionic strength = 1.091e+01
Mass of water (kg) = 9.689e-03
Total alkalinity (eq/kg) = 1.599e-02
Total CO2 (mol/kg) = 7.534e-03
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.347e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.59
Iterations = 10
Gamma iterations = 4
Osmotic coefficient = 1.89632
Density of water = 0.99704
Total H = 1.075660e+00
Total O = 5.599891e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 3.848e-06 1.434e-07 -5.415 -6.844 -1.429 10.87
H+ 2.173e-09 4.705e-08 -8.663 -7.327 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 26.34
C(4) 7.534e-03
MgCO3 5.934e-03 5.934e-03 -2.227 -2.227 0.000 -17.09
HCO3- 1.001e-03 7.053e-05 -3.000 -4.152 -1.152 45.87
CO3-2 5.966e-04 6.863e-08 -3.224 -7.163 -3.939 14.74
CO2 2.702e-06 1.093e-05 -5.568 -4.961 0.607 29.09
Ca 4.610e-03
Ca+2 4.610e-03 4.592e-02 -2.336 -1.338 0.998 -12.42
Cl 6.295e+00
Cl- 6.295e+00 4.726e+00 0.799 0.674 -0.125 20.69
K 2.289e-01
K+ 2.289e-01 2.913e-01 -0.640 -0.536 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 5.934e-03 5.934e-03 -2.227 -2.227 0.000 -17.09
MgOH+ 1.924e-03 2.244e-03 -2.716 -2.649 0.067 (0)
Na 1.981e+00
Na+ 1.981e+00 8.075e+00 0.297 0.907 0.610 2.18
S(6) 5.660e-01
SO4-2 5.660e-01 1.221e-03 -0.247 -2.913 -2.666 30.45
HSO4- 5.482e-09 5.473e-09 -8.261 -8.262 -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 -2.11 -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 -0.80 -11.68 -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 -4.96 -1.46 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 3.01 14.56 MgCl2:2H2O
MgCl2_4H2O -4.33 2.65 6.98 MgCl2:4H2O
Mirabilite -1.62 -2.86 -1.24 Na2SO4:10H2O
Misenite -57.84 -68.64 -10.81 K8H6(SO4)7
Nahcolite -2.84 -13.58 -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 -9.84 -15.03 -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 1.189e-03 1.417e-03 2.284e-04
Bischofite -2.23 2.36 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 5.592e-07
Calcite 0.00 -8.50 -8.50 3.085e-04 2.971e-04 -1.141e-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 1.557e-03 9.580e-04 -5.986e-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 -0.99 -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 9.172e-03 8.385e-05
Ca 4.143e-03 3.787e-05
Cl 6.284e+00 5.744e-02
K 2.001e-01 1.829e-03
Mg 2.899e+00 2.650e-02
Na 1.843e+00 1.684e-02
S 6.209e-01 5.676e-03
----------------------------Description of solution----------------------------
pH = 7.335 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 608731
Density (g/cm<63>) = 1.26202
Volume (L) = 0.01020
Activity of water = 0.660
Ionic strength = 1.122e+01
Mass of water (kg) = 9.142e-03
Total alkalinity (eq/kg) = 1.944e-02
Total CO2 (mol/kg) = 9.172e-03
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.347e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.67
Iterations = 8
Gamma iterations = 3
Osmotic coefficient = 1.93891
Density of water = 0.99704
Total H = 1.014883e+00
Total O = 5.304018e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 4.330e-06 1.443e-07 -5.364 -6.841 -1.477 11.25
H+ 1.982e-09 4.628e-08 -8.703 -7.335 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 26.34
C(4) 9.172e-03
MgCO3 7.303e-03 7.303e-03 -2.137 -2.137 0.000 -17.09
HCO3- 1.113e-03 7.100e-05 -2.953 -4.149 -1.195 46.42
CO3-2 7.534e-04 7.025e-08 -3.123 -7.153 -4.030 15.09
CO2 2.607e-06 1.093e-05 -5.584 -4.961 0.622 29.09
Ca 4.143e-03
Ca+2 4.143e-03 4.487e-02 -2.383 -1.348 1.035 -12.31
Cl 6.284e+00
Cl- 6.284e+00 4.781e+00 0.798 0.679 -0.119 20.72
K 2.001e-01
K+ 2.001e-01 2.622e-01 -0.699 -0.581 0.117 14.38
Mg 2.899e+00
Mg+2 2.890e+00 1.227e+02 0.461 2.089 1.628 -15.55
MgCO3 7.303e-03 7.303e-03 -2.137 -2.137 0.000 -17.09
MgOH+ 2.214e-03 2.716e-03 -2.655 -2.566 0.089 (0)
Na 1.843e+00
Na+ 1.843e+00 7.982e+00 0.265 0.902 0.637 2.24
S(6) 6.209e-01
SO4-2 6.209e-01 1.250e-03 -0.207 -2.903 -2.696 30.68
HSO4- 5.280e-09 5.510e-09 -8.277 -8.259 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 1.47 21.13 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 -4.96 -1.46 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 -1.06 -1.26 -0.19 KMgClSO4:3H2O
Kalicinite -5.13 -15.07 -9.94 KHCO3
Kieserite -0.73 -0.99 -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 -58.18 -68.98 -10.81 K8H6(SO4)7
Nahcolite -2.84 -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 -9.84 -15.03 -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 -7.91 -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 1.417e-03 1.728e-03 3.103e-04
Bischofite -2.16 2.44 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 6.913e-07
Calcite 0.00 -8.50 -8.50 2.971e-04 2.814e-04 -1.575e-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 9.580e-04 3.163e-04 -6.417e-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 1.151e-02 9.891e-05
Ca 3.667e-03 3.152e-05
Cl 6.269e+00 5.388e-02
K 1.717e-01 1.476e-03
Mg 3.063e+00 2.633e-02
Na 1.694e+00 1.456e-02
S 6.913e-01 5.942e-03
----------------------------Description of solution----------------------------
pH = 7.343 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (<28>S/cm, 25<32>C) = 623867
Density (g/cm<63>) = 1.26784
Volume (L) = 0.00958
Activity of water = 0.652
Ionic strength = 1.159e+01
Mass of water (kg) = 8.595e-03
Total alkalinity (eq/kg) = 2.435e-02
Total CO2 (mol/kg) = 1.151e-02
Temperature (<28>C) = 25.00
Electrical balance (eq) = 2.347e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.74
Iterations = 8
Gamma iterations = 3
Osmotic coefficient = 1.98745
Density of water = 0.99704
Total H = 9.541761e-01
Total O = 5.011584e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm<63>/mol
OH- 4.940e-06 1.454e-07 -5.306 -6.837 -1.531 11.70
H+ 1.777e-09 4.537e-08 -8.750 -7.343 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 26.34
C(4) 1.151e-02
MgCO3 9.262e-03 9.262e-03 -2.033 -2.033 0.000 -17.09
HCO3- 1.266e-03 7.155e-05 -2.897 -4.145 -1.248 47.09
CO3-2 9.777e-04 7.220e-08 -3.010 -7.141 -4.132 15.50
CO2 2.494e-06 1.093e-05 -5.603 -4.961 0.642 29.09
Ca 3.667e-03
Ca+2 3.667e-03 4.365e-02 -2.436 -1.360 1.076 -12.17
Cl 6.269e+00
Cl- 6.269e+00 4.847e+00 0.797 0.685 -0.112 20.75
K 1.717e-01
K+ 1.717e-01 2.324e-01 -0.765 -0.634 0.132 14.54
Mg 3.063e+00
Mg+2 3.051e+00 1.514e+02 0.484 2.180 1.696 -15.39
MgCO3 9.262e-03 9.262e-03 -2.033 -2.033 0.000 -17.09
MgOH+ 2.597e-03 3.377e-03 -2.586 -2.472 0.114 (0)
Na 1.694e+00
Na+ 1.694e+00 7.873e+00 0.229 0.896 0.667 2.30
S(6) 6.913e-01
SO4-2 6.913e-01 1.285e-03 -0.160 -2.891 -2.731 30.94
HSO4- 5.074e-09 5.552e-09 -8.295 -8.256 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 -4.96 -1.46 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 -58.56 -69.37 -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.
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End of simulation.
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Reading input data for simulation 2.
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End of Run after 0.13 Seconds.
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