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iphreeqc/ex17b.out
David L Parkhurst 4cd1f689f1 7643 code 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7645 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-04-25 17:52:53 +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 8.453e-04 8.453e-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 (uS/cm, 25 oC) = 31362
Density (g/cm3) = 1.01094
Volume (L) = 1.00889
Activity of water = 0.990
Ionic strength = 3.752e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 8.684e-04
Total CO2 (mol/kg) = 8.453e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.250e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35
Iterations = 9
Gamma iterations = 3
Osmotic coefficient = 0.89851
Density of water = 0.99704
Total H = 1.110132e+02
Total O = 5.556983e+01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.663e-06 9.977e-07 -5.779 -6.001 -0.222 -2.99
H+ 1.290e-08 1.000e-08 -7.889 -8.000 -0.111 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 3.004e-04 -3.356 -3.522 -0.166 25.36
C(4) 8.453e-04
HCO3- 8.044e-04 4.944e-04 -3.095 -3.306 -0.211 25.95
CO3-2 1.612e-05 2.264e-06 -4.793 -5.645 -0.853 -1.27
MgCO3 1.441e-05 1.441e-05 -4.841 -4.841 0.000 -17.09
CO2 1.036e-05 1.096e-05 -4.985 -4.960 0.024 30.26
Ca 5.841e-03
Ca+2 5.841e-03 1.473e-03 -2.233 -2.832 -0.598 -16.97
Cl 2.930e-01
Cl- 2.930e-01 1.960e-01 -0.533 -0.708 -0.175 18.61
K 4.960e-03
K+ 4.960e-03 3.418e-03 -2.305 -2.466 -0.162 9.48
Mg 2.807e-02
Mg+2 2.805e-02 7.511e-03 -1.552 -2.124 -0.572 -20.69
MgCO3 1.441e-05 1.441e-05 -4.841 -4.841 0.000 -17.09
MgOH+ 1.244e-06 1.155e-06 -5.905 -5.938 -0.032 (0)
Na 2.544e-01
Na+ 2.544e-01 1.836e-01 -0.595 -0.736 -0.142 -0.79
S(6) 1.527e-02
SO4-2 1.527e-02 2.117e-03 -1.816 -2.674 -0.858 17.27
HSO4- 2.952e-09 2.017e-09 -8.530 -8.695 -0.165 40.79
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -1.28 -5.51 -4.22 CaSO4
Aragonite -0.26 -8.48 -8.22 CaCO3
Arcanite -5.83 -7.61 -1.78 K2SO4
Bischofite -8.02 -3.57 4.46 MgCl2:6H2O
Bloedite -6.62 -8.96 -2.35 Na2Mg(SO4)2:4H2O
Brucite -3.25 -14.13 -10.88 Mg(OH)2
Burkeite -14.64 -15.41 -0.77 Na6CO3(SO4)2
Calcite -0.07 -8.48 -8.41 CaCO3
Carnallite -11.07 -6.74 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 0.84 -16.25 -17.08 CaMg(CO3)2
Epsomite -2.95 -4.83 -1.88 MgSO4:7H2O
Gaylussite -6.19 -15.62 -9.42 CaNa2(CO3)2:5H2O
Glaserite -9.68 -13.48 -3.80 NaK3(SO4)2
Glauberite -4.41 -9.65 -5.25 Na2Ca(SO4)2
Gypsum -0.93 -5.51 -4.58 CaSO4:2H2O
H2O(g) -1.51 -0.00 1.50 H2O
Halite -3.01 -1.44 1.57 NaCl
Hexahydrite -3.19 -4.82 -1.63 MgSO4:6H2O
Kainite -7.79 -7.99 -0.19 KMgClSO4:3H2O
Kalicinite -6.05 -16.11 -10.06 KHCO3
Kieserite -4.68 -4.80 -0.12 MgSO4:H2O
Labile_S -8.14 -13.81 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -3.93 -4.82 -0.89 MgSO4:4H2O
Leonite -8.44 -12.42 -3.98 K2Mg(SO4)2:4H2O
Magnesite 0.06 -7.77 -7.83 MgCO3
Mirabilite -2.98 -4.19 -1.21 Na2SO4:10H2O
Misenite -75.64 -86.45 -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 -3.53 -4.82 -1.28 MgSO4:5H2O
Pirssonite -6.37 -15.60 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -9.68 -23.43 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.64 -14.83 -5.19 Ca(OH)2
Schoenite -8.10 -12.43 -4.33 K2Mg(SO4)2:6H2O
Sylvite -4.07 -3.17 0.90 KCl
Syngenite -5.67 -13.12 -7.45 K2Ca(SO4)2:H2O
Trona -10.12 -21.51 -11.38 Na3H(CO3)2:2H2O
-----------------------------------------
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 -1.28 -5.51 -4.22 0.000e+00 0 0.000e+00
Bischofite -8.02 -3.57 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 0.000e+00
Calcite -0.07 -8.48 -8.41 0.000e+00 0 0.000e+00
Carnallite -11.07 -6.74 4.33 0.000e+00 0 0.000e+00
Epsomite -2.95 -4.83 -1.88 0.000e+00 0 0.000e+00
Glauberite -4.41 -9.65 -5.25 0.000e+00 0 0.000e+00
Gypsum -0.93 -5.51 -4.58 0.000e+00 0 0.000e+00
Halite -3.01 -1.44 1.57 0.000e+00 0 0.000e+00
Hexahydrite -3.19 -4.82 -1.63 0.000e+00 0 0.000e+00
Kieserite -4.68 -4.80 -0.12 0.000e+00 0 0.000e+00
Polyhalite -9.68 -23.43 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 4.401e-04 4.401e-04
C 8.453e-04 8.453e-04
Ca 5.841e-03 5.841e-03
Cl 2.930e-01 2.930e-01
K 4.960e-03 4.960e-03
Mg 2.807e-02 2.807e-02
Na 2.544e-01 2.544e-01
S 1.527e-02 1.527e-02
----------------------------Description of solution----------------------------
pH = 8.000 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 31362
Density (g/cm3) = 1.01094
Volume (L) = 1.00889
Activity of water = 0.990
Ionic strength = 3.752e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 8.684e-04
Total CO2 (mol/kg) = 8.453e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.250e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35
Iterations = 1
Gamma iterations = 1
Osmotic coefficient = 0.89851
Density of water = 0.99704
Total H = 1.110132e+02
Total O = 5.556983e+01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.663e-06 9.977e-07 -5.779 -6.001 -0.222 -2.99
H+ 1.290e-08 1.000e-08 -7.889 -8.000 -0.111 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 3.004e-04 -3.356 -3.522 -0.166 25.36
C(4) 8.453e-04
HCO3- 8.044e-04 4.944e-04 -3.095 -3.306 -0.211 25.95
CO3-2 1.612e-05 2.264e-06 -4.793 -5.645 -0.853 -1.27
MgCO3 1.441e-05 1.441e-05 -4.841 -4.841 0.000 -17.09
CO2 1.036e-05 1.096e-05 -4.985 -4.960 0.024 30.26
Ca 5.841e-03
Ca+2 5.841e-03 1.473e-03 -2.233 -2.832 -0.598 -16.97
Cl 2.930e-01
Cl- 2.930e-01 1.960e-01 -0.533 -0.708 -0.175 18.61
K 4.960e-03
K+ 4.960e-03 3.418e-03 -2.305 -2.466 -0.162 9.48
Mg 2.807e-02
Mg+2 2.805e-02 7.511e-03 -1.552 -2.124 -0.572 -20.69
MgCO3 1.441e-05 1.441e-05 -4.841 -4.841 0.000 -17.09
MgOH+ 1.244e-06 1.155e-06 -5.905 -5.938 -0.032 (0)
Na 2.544e-01
Na+ 2.544e-01 1.836e-01 -0.595 -0.736 -0.142 -0.79
S(6) 1.527e-02
SO4-2 1.527e-02 2.117e-03 -1.816 -2.674 -0.858 17.27
HSO4- 2.952e-09 2.017e-09 -8.530 -8.695 -0.165 40.79
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -1.28 -5.51 -4.22 CaSO4
Aragonite -0.26 -8.48 -8.22 CaCO3
Arcanite -5.83 -7.61 -1.78 K2SO4
Bischofite -8.02 -3.57 4.46 MgCl2:6H2O
Bloedite -6.62 -8.96 -2.35 Na2Mg(SO4)2:4H2O
Brucite -3.25 -14.13 -10.88 Mg(OH)2
Burkeite -14.64 -15.41 -0.77 Na6CO3(SO4)2
Calcite -0.07 -8.48 -8.41 CaCO3
Carnallite -11.07 -6.74 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 0.84 -16.25 -17.08 CaMg(CO3)2
Epsomite -2.95 -4.83 -1.88 MgSO4:7H2O
Gaylussite -6.19 -15.62 -9.42 CaNa2(CO3)2:5H2O
Glaserite -9.68 -13.48 -3.80 NaK3(SO4)2
Glauberite -4.41 -9.65 -5.25 Na2Ca(SO4)2
Gypsum -0.93 -5.51 -4.58 CaSO4:2H2O
H2O(g) -1.51 -0.00 1.50 H2O
Halite -3.01 -1.44 1.57 NaCl
Hexahydrite -3.19 -4.82 -1.63 MgSO4:6H2O
Kainite -7.79 -7.99 -0.19 KMgClSO4:3H2O
Kalicinite -6.05 -16.11 -10.06 KHCO3
Kieserite -4.68 -4.80 -0.12 MgSO4:H2O
Labile_S -8.14 -13.81 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -3.93 -4.82 -0.89 MgSO4:4H2O
Leonite -8.44 -12.42 -3.98 K2Mg(SO4)2:4H2O
Magnesite 0.06 -7.77 -7.83 MgCO3
Mirabilite -2.98 -4.19 -1.21 Na2SO4:10H2O
Misenite -75.64 -86.45 -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 -3.53 -4.82 -1.28 MgSO4:5H2O
Pirssonite -6.37 -15.60 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -9.68 -23.43 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.64 -14.83 -5.19 Ca(OH)2
Schoenite -8.10 -12.43 -4.33 K2Mg(SO4)2:6H2O
Sylvite -4.07 -3.17 0.90 KCl
Syngenite -5.67 -13.12 -7.45 K2Ca(SO4)2:H2O
Trona -10.12 -21.51 -11.38 Na3H(CO3)2:2H2O
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 -0.78 -5.01 -4.22 0.000e+00 0 0.000e+00
Bischofite -6.82 -2.36 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 2.904e-04
Calcite 0.00 -8.41 -8.41 0.000e+00 3.020e-04 3.020e-04
Carnallite -9.04 -4.71 4.33 0.000e+00 0 0.000e+00
Epsomite -2.45 -4.34 -1.88 0.000e+00 0 0.000e+00
Glauberite -2.91 -8.15 -5.25 0.000e+00 0 0.000e+00
Gypsum -0.45 -5.03 -4.58 0.000e+00 0 0.000e+00
Halite -2.16 -0.59 1.57 0.000e+00 0 0.000e+00
Hexahydrite -2.69 -4.32 -1.63 0.000e+00 0 0.000e+00
Kieserite -4.14 -4.26 -0.12 0.000e+00 0 0.000e+00
Polyhalite -7.21 -20.95 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.252e-03 4.401e-04
C 7.196e-04 2.529e-04
Ca 1.576e-02 5.539e-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 = 7.844 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 70310
Density (g/cm3) = 1.03532
Volume (L) = 0.35861
Activity of water = 0.972
Ionic strength = 1.065e+00
Mass of water (kg) = 3.514e-01
Total alkalinity (eq/kg) = 7.522e-04
Total CO2 (mol/kg) = 7.196e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.250e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35
Iterations = 14
Gamma iterations = 3
Osmotic coefficient = 0.91486
Density of water = 0.99704
Total H = 3.901324e+01
Total O = 1.956834e+01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.457e-06 6.842e-07 -5.836 -6.165 -0.328 -1.97
H+ 1.634e-08 1.432e-08 -7.787 -7.844 -0.058 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 7.911e-04 -2.902 -3.102 -0.200 25.75
C(4) 7.196e-04
HCO3- 6.720e-04 3.391e-04 -3.173 -3.470 -0.297 27.57
CO3-2 1.927e-05 1.085e-06 -4.715 -5.965 -1.250 0.69
MgCO3 1.899e-05 1.899e-05 -4.722 -4.722 0.000 -17.09
CO2 9.348e-06 1.096e-05 -5.029 -4.960 0.069 30.26
Ca 1.576e-02
Ca+2 1.576e-02 3.619e-03 -1.802 -2.441 -0.639 -16.43
Cl 8.339e-01
Cl- 8.339e-01 4.997e-01 -0.079 -0.301 -0.222 18.97
K 1.411e-02
K+ 1.411e-02 8.942e-03 -1.850 -2.049 -0.198 9.88
Mg 7.987e-02
Mg+2 7.985e-02 2.066e-02 -1.098 -1.685 -0.587 -20.14
MgCO3 1.899e-05 1.899e-05 -4.722 -4.722 0.000 -17.09
MgOH+ 2.209e-06 2.178e-06 -5.656 -5.662 -0.006 (0)
Na 7.238e-01
Na+ 7.238e-01 5.131e-01 -0.140 -0.290 -0.149 -0.35
S(6) 4.345e-02
SO4-2 4.345e-02 2.722e-03 -1.362 -2.565 -1.203 19.51
HSO4- 6.080e-09 3.712e-09 -8.216 -8.430 -0.214 41.13
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.78 -5.01 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -4.89 -6.66 -1.78 K2SO4
Bischofite -6.82 -2.36 4.46 MgCl2:6H2O
Bloedite -5.10 -7.44 -2.35 Na2Mg(SO4)2:4H2O
Brucite -3.13 -14.01 -10.88 Mg(OH)2
Burkeite -12.06 -12.83 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -9.04 -4.71 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 1.03 -16.06 -17.08 CaMg(CO3)2
Epsomite -2.45 -4.34 -1.88 MgSO4:7H2O
Gaylussite -5.59 -15.01 -9.42 CaNa2(CO3)2:5H2O
Glaserite -7.76 -11.57 -3.80 NaK3(SO4)2
Glauberite -2.91 -8.15 -5.25 Na2Ca(SO4)2
Gypsum -0.45 -5.03 -4.58 CaSO4:2H2O
H2O(g) -1.52 -0.01 1.50 H2O
Halite -2.16 -0.59 1.57 NaCl
Hexahydrite -2.69 -4.32 -1.63 MgSO4:6H2O
Kainite -6.44 -6.64 -0.19 KMgClSO4:3H2O
Kalicinite -5.80 -15.86 -10.06 KHCO3
Kieserite -4.14 -4.26 -0.12 MgSO4:H2O
Labile_S -5.65 -11.32 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -3.41 -4.30 -0.89 MgSO4:4H2O
Leonite -6.98 -10.96 -3.98 K2Mg(SO4)2:4H2O
Magnesite 0.18 -7.65 -7.83 MgCO3
Mirabilite -2.05 -3.27 -1.21 Na2SO4:10H2O
Misenite -70.60 -81.41 -10.81 K8H6(SO4)7
Nahcolite -3.36 -14.10 -10.74 NaHCO3
Natron -5.84 -6.67 -0.82 Na2CO3:10H2O
Nesquehonite -2.52 -7.69 -5.17 MgCO3:3H2O
Pentahydrite -3.03 -4.31 -1.28 MgSO4:5H2O
Pirssonite -5.74 -14.98 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -7.21 -20.95 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.58 -14.77 -5.19 Ca(OH)2
Schoenite -6.66 -10.99 -4.33 K2Mg(SO4)2:6H2O
Sylvite -3.25 -2.35 0.90 KCl
Syngenite -4.23 -11.68 -7.45 K2Ca(SO4)2:H2O
Trona -9.28 -20.67 -11.38 Na3H(CO3)2:2H2O
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 -0.66 -4.89 -4.22 0.000e+00 0 0.000e+00
Bischofite -6.53 -2.07 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 3.246e-05
Calcite 0.00 -8.41 -8.41 3.020e-04 3.365e-04 3.451e-05
Carnallite -8.57 -4.24 4.33 0.000e+00 0 0.000e+00
Epsomite -2.35 -4.23 -1.88 0.000e+00 0 0.000e+00
Glauberite -2.57 -7.81 -5.25 0.000e+00 0 0.000e+00
Gypsum -0.34 -4.92 -4.58 0.000e+00 0 0.000e+00
Halite -1.96 -0.39 1.57 0.000e+00 0 0.000e+00
Hexahydrite -2.58 -4.21 -1.63 0.000e+00 0 0.000e+00
Kieserite -4.01 -4.13 -0.12 0.000e+00 0 0.000e+00
Polyhalite -6.65 -20.39 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.575e-03 4.401e-04
C 6.655e-04 1.859e-04
Ca 1.970e-02 5.505e-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 = 7.790 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 82662
Density (g/cm3) = 1.04470
Volume (L) = 0.28640
Activity of water = 0.965
Ionic strength = 1.339e+00
Mass of water (kg) = 2.794e-01
Total alkalinity (eq/kg) = 6.991e-04
Total CO2 (mol/kg) = 6.655e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.250e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35
Iterations = 7
Gamma iterations = 3
Osmotic coefficient = 0.92627
Density of water = 0.99704
Total H = 3.101324e+01
Total O = 1.556817e+01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.364e-06 5.990e-07 -5.865 -6.223 -0.358 -1.60
H+ 1.728e-08 1.623e-08 -7.762 -7.790 -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 9.876e-04 -2.803 -3.005 -0.203 25.87
C(4) 6.655e-04
HCO3- 6.179e-04 2.968e-04 -3.209 -3.528 -0.318 28.17
MgCO3 1.952e-05 1.952e-05 -4.709 -4.709 0.000 -17.09
CO3-2 1.914e-05 8.375e-07 -4.718 -6.077 -1.359 1.31
CO2 8.974e-06 1.096e-05 -5.047 -4.960 0.087 30.26
Ca 1.970e-02
Ca+2 1.970e-02 4.686e-03 -1.705 -2.329 -0.624 -16.27
Cl 1.049e+00
Cl- 1.049e+00 6.161e-01 0.021 -0.210 -0.231 19.08
K 1.775e-02
K+ 1.775e-02 1.112e-02 -1.751 -1.954 -0.203 10.02
Mg 1.005e-01
Mg+2 1.005e-01 2.751e-02 -0.998 -1.561 -0.563 -19.97
MgCO3 1.952e-05 1.952e-05 -4.709 -4.709 0.000 -17.09
MgOH+ 2.578e-06 2.539e-06 -5.589 -5.595 -0.007 (0)
Na 9.105e-01
Na+ 9.105e-01 6.539e-01 -0.041 -0.184 -0.144 -0.22
S(6) 5.466e-02
SO4-2 5.466e-02 2.769e-03 -1.262 -2.558 -1.295 20.17
HSO4- 7.203e-09 4.280e-09 -8.143 -8.369 -0.226 41.22
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.66 -4.89 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -4.69 -6.47 -1.78 K2SO4
Bischofite -6.53 -2.07 4.46 MgCl2:6H2O
Bloedite -4.76 -7.11 -2.35 Na2Mg(SO4)2:4H2O
Brucite -3.13 -14.01 -10.88 Mg(OH)2
Burkeite -11.53 -12.30 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -8.57 -4.24 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 1.04 -16.04 -17.08 CaMg(CO3)2
Epsomite -2.35 -4.23 -1.88 MgSO4:7H2O
Gaylussite -5.51 -14.93 -9.42 CaNa2(CO3)2:5H2O
Glaserite -7.36 -11.16 -3.80 NaK3(SO4)2
Glauberite -2.57 -7.81 -5.25 Na2Ca(SO4)2
Gypsum -0.34 -4.92 -4.58 CaSO4:2H2O
H2O(g) -1.52 -0.02 1.50 H2O
Halite -1.96 -0.39 1.57 NaCl
Hexahydrite -2.58 -4.21 -1.63 MgSO4:6H2O
Kainite -6.14 -6.33 -0.19 KMgClSO4:3H2O
Kalicinite -5.76 -15.82 -10.06 KHCO3
Kieserite -4.01 -4.13 -0.12 MgSO4:H2O
Labile_S -5.10 -10.77 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -3.29 -4.18 -0.89 MgSO4:4H2O
Leonite -6.67 -10.65 -3.98 K2Mg(SO4)2:4H2O
Magnesite 0.20 -7.64 -7.83 MgCO3
Mirabilite -1.87 -3.08 -1.21 Na2SO4:10H2O
Misenite -69.47 -80.28 -10.81 K8H6(SO4)7
Nahcolite -3.31 -14.05 -10.74 NaHCO3
Natron -5.78 -6.60 -0.82 Na2CO3:10H2O
Nesquehonite -2.52 -7.68 -5.17 MgCO3:3H2O
Pentahydrite -2.91 -4.20 -1.28 MgSO4:5H2O
Pirssonite -5.65 -14.88 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -6.65 -20.39 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.58 -14.77 -5.19 Ca(OH)2
Schoenite -6.35 -10.68 -4.33 K2Mg(SO4)2:6H2O
Sylvite -3.06 -2.16 0.90 KCl
Syngenite -3.92 -11.37 -7.45 K2Ca(SO4)2:H2O
Trona -9.14 -20.53 -11.38 Na3H(CO3)2:2H2O
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 -0.49 -4.72 -4.22 0.000e+00 0 0.000e+00
Bischofite -6.14 -1.68 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 3.099e-05
Calcite 0.00 -8.41 -8.41 3.365e-04 3.696e-04 3.312e-05
Carnallite -7.93 -3.60 4.33 0.000e+00 0 0.000e+00
Epsomite -2.20 -4.08 -1.88 0.000e+00 0 0.000e+00
Glauberite -2.11 -7.36 -5.25 0.000e+00 0 0.000e+00
Gypsum -0.18 -4.76 -4.58 0.000e+00 0 0.000e+00
Halite -1.70 -0.13 1.57 0.000e+00 0 0.000e+00
Hexahydrite -2.43 -4.06 -1.63 0.000e+00 0 0.000e+00
Kieserite -3.83 -3.95 -0.12 0.000e+00 0 0.000e+00
Polyhalite -5.88 -19.62 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.123e-03 4.401e-04
C 5.876e-04 1.218e-04
Ca 2.639e-02 5.472e-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 7.366e-02 1.527e-02
----------------------------Description of solution----------------------------
pH = 7.707 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 102616
Density (g/cm3) = 1.06022
Volume (L) = 0.21423
Activity of water = 0.952
Ionic strength = 1.805e+00
Mass of water (kg) = 2.073e-01
Total alkalinity (eq/kg) = 6.226e-04
Total CO2 (mol/kg) = 5.876e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.250e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35
Iterations = 9
Gamma iterations = 3
Osmotic coefficient = 0.94891
Density of water = 0.99704
Total H = 2.301324e+01
Total O = 1.156801e+01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.227e-06 4.888e-07 -5.911 -6.311 -0.400 -1.00
H+ 1.834e-08 1.961e-08 -7.737 -7.707 0.029 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 1.331e-03 -2.673 -2.876 -0.203 26.05
C(4) 5.876e-04
HCO3- 5.403e-04 2.422e-04 -3.267 -3.616 -0.348 29.17
MgCO3 2.035e-05 2.035e-05 -4.691 -4.691 0.000 -17.09
CO3-2 1.854e-05 5.656e-07 -4.732 -6.248 -1.516 2.27
CO2 8.374e-06 1.096e-05 -5.077 -4.960 0.117 30.26
Ca 2.639e-02
Ca+2 2.639e-02 6.939e-03 -1.578 -2.159 -0.580 -16.03
Cl 1.414e+00
Cl- 1.414e+00 8.132e-01 0.150 -0.090 -0.240 19.23
K 2.393e-02
K+ 2.393e-02 1.487e-02 -1.621 -1.828 -0.207 10.24
Mg 1.354e-01
Mg+2 1.354e-01 4.247e-02 -0.868 -1.372 -0.504 -19.72
MgCO3 2.035e-05 2.035e-05 -4.691 -4.691 0.000 -17.09
MgOH+ 3.310e-06 3.199e-06 -5.480 -5.495 -0.015 (0)
Na 1.227e+00
Na+ 1.227e+00 9.120e-01 0.089 -0.040 -0.129 -0.00
S(6) 7.366e-02
SO4-2 7.366e-02 2.760e-03 -1.133 -2.559 -1.426 21.15
HSO4- 9.000e-09 5.156e-09 -8.046 -8.288 -0.242 41.36
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.49 -4.72 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -4.44 -6.21 -1.78 K2SO4
Bischofite -6.14 -1.68 4.46 MgCl2:6H2O
Bloedite -4.31 -6.66 -2.35 Na2Mg(SO4)2:4H2O
Brucite -3.11 -13.99 -10.88 Mg(OH)2
Burkeite -10.83 -11.61 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -7.93 -3.60 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 1.06 -16.03 -17.08 CaMg(CO3)2
Epsomite -2.20 -4.08 -1.88 MgSO4:7H2O
Gaylussite -5.42 -14.84 -9.42 CaNa2(CO3)2:5H2O
Glaserite -6.84 -10.64 -3.80 NaK3(SO4)2
Glauberite -2.11 -7.36 -5.25 Na2Ca(SO4)2
Gypsum -0.18 -4.76 -4.58 CaSO4:2H2O
H2O(g) -1.52 -0.02 1.50 H2O
Halite -1.70 -0.13 1.57 NaCl
Hexahydrite -2.43 -4.06 -1.63 MgSO4:6H2O
Kainite -5.72 -5.91 -0.19 KMgClSO4:3H2O
Kalicinite -5.72 -15.78 -10.06 KHCO3
Kieserite -3.83 -3.95 -0.12 MgSO4:H2O
Labile_S -4.37 -10.04 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -3.13 -4.02 -0.89 MgSO4:4H2O
Leonite -6.25 -10.23 -3.98 K2Mg(SO4)2:4H2O
Magnesite 0.21 -7.62 -7.83 MgCO3
Mirabilite -1.64 -2.85 -1.21 Na2SO4:10H2O
Misenite -67.98 -78.78 -10.81 K8H6(SO4)7
Nahcolite -3.25 -13.99 -10.74 NaHCO3
Natron -5.72 -6.54 -0.82 Na2CO3:10H2O
Nesquehonite -2.52 -7.68 -5.17 MgCO3:3H2O
Pentahydrite -2.75 -4.04 -1.28 MgSO4:5H2O
Pirssonite -5.54 -14.78 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -5.88 -19.62 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.59 -14.78 -5.19 Ca(OH)2
Schoenite -5.95 -10.28 -4.33 K2Mg(SO4)2:6H2O
Sylvite -2.82 -1.92 0.90 KCl
Syngenite -3.51 -10.95 -7.45 K2Ca(SO4)2:H2O
Trona -8.98 -20.37 -11.38 Na3H(CO3)2:2H2O
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 -0.29 -4.51 -4.22 0.000e+00 0 0.000e+00
Bischofite -5.51 -1.05 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 2.634e-05
Calcite 0.00 -8.41 -8.41 3.696e-04 3.974e-04 2.773e-05
Carnallite -6.93 -2.60 4.33 0.000e+00 0 0.000e+00
Epsomite -1.99 -3.87 -1.88 0.000e+00 0 0.000e+00
Glauberite -1.49 -6.74 -5.25 0.000e+00 0 0.000e+00
Gypsum 0.00 -4.58 -4.58 0.000e+00 7.537e-04 7.537e-04
Halite -1.29 0.28 1.57 0.000e+00 0 0.000e+00
Hexahydrite -2.20 -3.84 -1.63 0.000e+00 0 0.000e+00
Kieserite -3.54 -3.66 -0.12 0.000e+00 0 0.000e+00
Polyhalite -4.85 -18.59 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 3.255e-03 4.401e-04
C 5.010e-04 6.774e-05
Ca 3.469e-02 4.690e-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 1.074e-01 1.452e-02
----------------------------Description of solution----------------------------
pH = 7.588 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 148315
Density (g/cm3) = 1.09027
Volume (L) = 0.14206
Activity of water = 0.923
Ionic strength = 2.744e+00
Mass of water (kg) = 1.352e-01
Total alkalinity (eq/kg) = 5.444e-04
Total CO2 (mol/kg) = 5.010e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.250e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35
Iterations = 11
Gamma iterations = 4
Osmotic coefficient = 1.00525
Density of water = 0.99704
Total H = 1.501023e+01
Total O = 7.563354e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.053e-06 3.598e-07 -5.978 -6.444 -0.466 0.14
H+ 1.788e-08 2.584e-08 -7.748 -7.588 0.160 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 2.101e-03 -2.487 -2.677 -0.190 26.34
C(4) 5.010e-04
HCO3- 4.499e-04 1.783e-04 -3.347 -3.749 -0.402 31.12
MgCO3 2.549e-05 2.549e-05 -4.594 -4.594 0.000 -17.09
CO3-2 1.836e-05 3.159e-07 -4.736 -6.500 -1.764 3.96
CO2 7.285e-06 1.096e-05 -5.138 -4.960 0.177 30.26
Ca 3.469e-02
Ca+2 3.469e-02 1.242e-02 -1.460 -1.906 -0.446 -15.60
Cl 2.167e+00
Cl- 2.167e+00 1.231e+00 0.336 0.090 -0.246 19.49
K 3.668e-02
K+ 3.668e-02 2.315e-02 -1.436 -1.636 -0.200 10.68
Mg 2.076e-01
Mg+2 2.076e-01 9.521e-02 -0.683 -1.021 -0.338 -19.25
MgCO3 2.549e-05 2.549e-05 -4.594 -4.594 0.000 -17.09
MgOH+ 5.809e-06 5.278e-06 -5.236 -5.278 -0.042 (0)
Na 1.881e+00
Na+ 1.881e+00 1.550e+00 0.274 0.190 -0.084 0.37
S(6) 1.074e-01
SO4-2 1.074e-01 2.484e-03 -0.969 -2.605 -1.636 22.78
HSO4- 1.130e-08 6.115e-09 -7.947 -8.214 -0.267 41.57
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.29 -4.51 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -4.10 -5.88 -1.78 K2SO4
Bischofite -5.51 -1.05 4.46 MgCl2:6H2O
Bloedite -3.64 -5.99 -2.35 Na2Mg(SO4)2:4H2O
Brucite -3.03 -13.91 -10.88 Mg(OH)2
Burkeite -9.80 -10.57 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -6.93 -2.60 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 1.16 -15.93 -17.08 CaMg(CO3)2
Epsomite -1.99 -3.87 -1.88 MgSO4:7H2O
Gaylussite -5.28 -14.70 -9.42 CaNa2(CO3)2:5H2O
Glaserite -6.12 -9.93 -3.80 NaK3(SO4)2
Glauberite -1.49 -6.74 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.54 -0.03 1.50 H2O
Halite -1.29 0.28 1.57 NaCl
Hexahydrite -2.20 -3.84 -1.63 MgSO4:6H2O
Kainite -5.08 -5.28 -0.19 KMgClSO4:3H2O
Kalicinite -5.67 -15.72 -10.06 KHCO3
Kieserite -3.54 -3.66 -0.12 MgSO4:H2O
Labile_S -3.36 -9.03 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -2.88 -3.77 -0.89 MgSO4:4H2O
Leonite -5.66 -9.64 -3.98 K2Mg(SO4)2:4H2O
Magnesite 0.31 -7.52 -7.83 MgCO3
Mirabilite -1.36 -2.57 -1.21 Na2SO4:10H2O
Misenite -66.04 -76.84 -10.81 K8H6(SO4)7
Nahcolite -3.16 -13.90 -10.74 NaHCO3
Natron -5.64 -6.47 -0.82 Na2CO3:10H2O
Nesquehonite -2.46 -7.63 -5.17 MgCO3:3H2O
Pentahydrite -2.52 -3.80 -1.28 MgSO4:5H2O
Pirssonite -5.36 -14.60 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -4.85 -18.59 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.60 -14.79 -5.19 Ca(OH)2
Schoenite -5.38 -9.71 -4.33 K2Mg(SO4)2:6H2O
Sylvite -2.45 -1.55 0.90 KCl
Syngenite -2.97 -10.42 -7.45 K2Ca(SO4)2:H2O
Trona -8.70 -20.09 -11.38 Na3H(CO3)2:2H2O
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 -4.50 -4.22 0.000e+00 0 0.000e+00
Bischofite -5.27 -0.82 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.552e-06
Calcite 0.00 -8.41 -8.41 3.974e-04 4.015e-04 4.116e-06
Carnallite -6.56 -2.23 4.33 0.000e+00 0 0.000e+00
Epsomite -1.92 -3.81 -1.88 0.000e+00 0 0.000e+00
Glauberite -1.34 -6.59 -5.25 0.000e+00 0 0.000e+00
Gypsum 0.00 -4.58 -4.58 7.537e-04 1.574e-03 8.205e-04
Halite -1.14 0.43 1.57 0.000e+00 0 0.000e+00
Hexahydrite -2.13 -3.76 -1.63 0.000e+00 0 0.000e+00
Kieserite -3.43 -3.56 -0.12 0.000e+00 0 0.000e+00
Polyhalite -4.63 -18.37 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 3.756e-03 4.401e-04
C 5.042e-04 5.907e-05
Ca 3.299e-02 3.865e-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 1.169e-01 1.370e-02
----------------------------Description of solution----------------------------
pH = 7.566 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 174022
Density (g/cm3) = 1.10241
Volume (L) = 0.12397
Activity of water = 0.909
Ionic strength = 3.138e+00
Mass of water (kg) = 1.172e-01
Total alkalinity (eq/kg) = 5.580e-04
Total CO2 (mol/kg) = 5.042e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.250e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35
Iterations = 8
Gamma iterations = 3
Osmotic coefficient = 1.03297
Density of water = 0.99704
Total H = 1.300694e+01
Total O = 6.558410e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.038e-06 3.370e-07 -5.984 -6.472 -0.488 0.61
H+ 1.632e-08 2.719e-08 -7.787 -7.566 0.222 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 2.474e-03 -2.425 -2.607 -0.181 26.45
C(4) 5.042e-04
HCO3- 4.455e-04 1.670e-04 -3.351 -3.777 -0.426 31.93
MgCO3 3.187e-05 3.187e-05 -4.497 -4.497 0.000 -17.09
CO3-2 1.995e-05 2.813e-07 -4.700 -6.551 -1.851 4.61
CO2 6.870e-06 1.096e-05 -5.163 -4.960 0.203 30.26
Ca 3.299e-02
Ca+2 3.299e-02 1.395e-02 -1.482 -1.855 -0.374 -15.43
Cl 2.501e+00
Cl- 2.501e+00 1.423e+00 0.398 0.153 -0.245 19.58
K 4.233e-02
K+ 4.233e-02 2.713e-02 -1.373 -1.567 -0.193 10.86
Mg 2.396e-01
Mg+2 2.395e-01 1.337e-01 -0.621 -0.874 -0.253 -19.06
MgCO3 3.187e-05 3.187e-05 -4.497 -4.497 0.000 -17.09
MgOH+ 7.847e-06 6.943e-06 -5.105 -5.158 -0.053 (0)
Na 2.171e+00
Na+ 2.171e+00 1.889e+00 0.337 0.276 -0.060 0.51
S(6) 1.169e-01
SO4-2 1.169e-01 2.277e-03 -0.932 -2.643 -1.710 23.38
HSO4- 1.113e-08 5.898e-09 -7.953 -8.229 -0.276 41.65
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.27 -4.50 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -4.00 -5.78 -1.78 K2SO4
Bischofite -5.27 -0.82 4.46 MgCl2:6H2O
Bloedite -3.42 -5.77 -2.35 Na2Mg(SO4)2:4H2O
Brucite -2.94 -13.82 -10.88 Mg(OH)2
Burkeite -9.41 -10.18 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -6.56 -2.23 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 1.25 -15.83 -17.08 CaMg(CO3)2
Epsomite -1.92 -3.81 -1.88 MgSO4:7H2O
Gaylussite -5.19 -14.61 -9.42 CaNa2(CO3)2:5H2O
Glaserite -5.91 -9.71 -3.80 NaK3(SO4)2
Glauberite -1.34 -6.59 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.54 -0.04 1.50 H2O
Halite -1.14 0.43 1.57 NaCl
Hexahydrite -2.13 -3.76 -1.63 MgSO4:6H2O
Kainite -4.86 -5.05 -0.19 KMgClSO4:3H2O
Kalicinite -5.63 -15.68 -10.06 KHCO3
Kieserite -3.43 -3.56 -0.12 MgSO4:H2O
Labile_S -3.09 -8.76 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -2.79 -3.68 -0.89 MgSO4:4H2O
Leonite -5.48 -9.46 -3.98 K2Mg(SO4)2:4H2O
Magnesite 0.41 -7.42 -7.83 MgCO3
Mirabilite -1.29 -2.50 -1.21 Na2SO4:10H2O
Misenite -65.62 -76.43 -10.81 K8H6(SO4)7
Nahcolite -3.10 -13.84 -10.74 NaHCO3
Natron -5.59 -6.41 -0.82 Na2CO3:10H2O
Nesquehonite -2.38 -7.55 -5.17 MgCO3:3H2O
Pentahydrite -2.44 -3.72 -1.28 MgSO4:5H2O
Pirssonite -5.25 -14.49 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -4.63 -18.37 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.61 -14.80 -5.19 Ca(OH)2
Schoenite -5.21 -9.54 -4.33 K2Mg(SO4)2:6H2O
Sylvite -2.31 -1.41 0.90 KCl
Syngenite -2.87 -10.32 -7.45 K2Ca(SO4)2:H2O
Trona -8.54 -19.92 -11.38 Na3H(CO3)2:2H2O
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 -4.48 -4.22 0.000e+00 0 0.000e+00
Bischofite -4.98 -0.52 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.536e-06
Calcite 0.00 -8.41 -8.41 4.015e-04 4.053e-04 3.781e-06
Carnallite -6.11 -1.78 4.33 0.000e+00 0 0.000e+00
Epsomite -1.84 -3.72 -1.88 0.000e+00 0 0.000e+00
Glauberite -1.16 -6.40 -5.25 0.000e+00 0 0.000e+00
Gypsum 0.00 -4.58 -4.58 1.574e-03 2.447e-03 8.727e-04
Halite -0.96 0.61 1.57 0.000e+00 0 0.000e+00
Hexahydrite -2.04 -3.67 -1.63 0.000e+00 0 0.000e+00
Kieserite -3.30 -3.42 -0.12 0.000e+00 0 0.000e+00
Polyhalite -4.34 -18.08 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 4.440e-03 4.401e-04
C 5.121e-04 5.076e-05
Ca 3.016e-02 2.989e-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 1.294e-01 1.282e-02
----------------------------Description of solution----------------------------
pH = 7.537 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 218831
Density (g/cm3) = 1.11845
Volume (L) = 0.10590
Activity of water = 0.890
Ionic strength = 3.674e+00
Mass of water (kg) = 9.912e-02
Total alkalinity (eq/kg) = 5.833e-04
Total CO2 (mol/kg) = 5.121e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.250e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35
Iterations = 8
Gamma iterations = 3
Osmotic coefficient = 1.07237
Density of water = 0.99704
Total H = 1.100345e+01
Total O = 5.553153e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.014e-06 3.087e-07 -5.994 -6.510 -0.517 1.23
H+ 1.429e-08 2.905e-08 -7.845 -7.537 0.308 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 3.019e-03 -2.353 -2.520 -0.168 26.59
C(4) 5.121e-04
HCO3- 4.409e-04 1.530e-04 -3.356 -3.815 -0.460 33.01
MgCO3 4.296e-05 4.296e-05 -4.367 -4.367 0.000 -17.09
CO3-2 2.185e-05 2.411e-07 -4.661 -6.618 -1.957 5.44
CO2 6.345e-06 1.096e-05 -5.198 -4.960 0.237 30.26
Ca 3.016e-02
Ca+2 3.016e-02 1.627e-02 -1.521 -1.789 -0.268 -15.20
Cl 2.957e+00
Cl- 2.957e+00 1.693e+00 0.471 0.229 -0.242 19.69
K 5.004e-02
K+ 5.004e-02 3.292e-02 -1.301 -1.483 -0.182 11.10
Mg 2.832e-01
Mg+2 2.831e-01 2.102e-01 -0.548 -0.677 -0.129 -18.81
MgCO3 4.296e-05 4.296e-05 -4.367 -4.367 0.000 -17.09
MgOH+ 1.176e-05 1.000e-05 -4.930 -5.000 -0.070 (0)
Na 2.566e+00
Na+ 2.566e+00 2.421e+00 0.409 0.384 -0.025 0.70
S(6) 1.294e-01
SO4-2 1.294e-01 2.037e-03 -0.888 -2.691 -1.803 24.12
HSO4- 1.094e-08 5.638e-09 -7.961 -8.249 -0.288 41.74
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.25 -4.48 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -3.88 -5.66 -1.78 K2SO4
Bischofite -4.98 -0.52 4.46 MgCl2:6H2O
Bloedite -3.15 -5.49 -2.35 Na2Mg(SO4)2:4H2O
Brucite -2.82 -13.70 -10.88 Mg(OH)2
Burkeite -8.92 -9.70 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -6.11 -1.78 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 1.38 -15.70 -17.08 CaMg(CO3)2
Epsomite -1.84 -3.72 -1.88 MgSO4:7H2O
Gaylussite -5.09 -14.51 -9.42 CaNa2(CO3)2:5H2O
Glaserite -5.64 -9.45 -3.80 NaK3(SO4)2
Glauberite -1.16 -6.40 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.55 -0.05 1.50 H2O
Halite -0.96 0.61 1.57 NaCl
Hexahydrite -2.04 -3.67 -1.63 MgSO4:6H2O
Kainite -4.58 -4.77 -0.19 KMgClSO4:3H2O
Kalicinite -5.58 -15.64 -10.06 KHCO3
Kieserite -3.30 -3.42 -0.12 MgSO4:H2O
Labile_S -2.75 -8.43 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -2.68 -3.57 -0.89 MgSO4:4H2O
Leonite -5.25 -9.23 -3.98 K2Mg(SO4)2:4H2O
Magnesite 0.54 -7.29 -7.83 MgCO3
Mirabilite -1.21 -2.43 -1.21 Na2SO4:10H2O
Misenite -65.11 -75.92 -10.81 K8H6(SO4)7
Nahcolite -3.03 -13.77 -10.74 NaHCO3
Natron -5.53 -6.35 -0.82 Na2CO3:10H2O
Nesquehonite -2.28 -7.45 -5.17 MgCO3:3H2O
Pentahydrite -2.34 -3.62 -1.28 MgSO4:5H2O
Pirssonite -5.12 -14.36 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -4.34 -18.08 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.62 -14.81 -5.19 Ca(OH)2
Schoenite -5.00 -9.33 -4.33 K2Mg(SO4)2:6H2O
Sylvite -2.15 -1.25 0.90 KCl
Syngenite -2.74 -10.19 -7.45 K2Ca(SO4)2:H2O
Trona -8.34 -19.72 -11.38 Na3H(CO3)2:2H2O
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 -0.23 -4.45 -4.22 0.000e+00 0 0.000e+00
Bischofite -4.60 -0.14 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.501e-06
Calcite 0.00 -8.41 -8.41 4.053e-04 4.082e-04 2.944e-06
Carnallite -5.52 -1.19 4.33 0.000e+00 0 0.000e+00
Epsomite -1.73 -3.61 -1.88 0.000e+00 0 0.000e+00
Glauberite -0.91 -6.15 -5.25 0.000e+00 0 0.000e+00
Gypsum 0.00 -4.58 -4.58 2.447e-03 3.361e-03 9.141e-04
Halite -0.72 0.85 1.57 0.000e+00 0 0.000e+00
Hexahydrite -1.91 -3.54 -1.63 0.000e+00 0 0.000e+00
Kieserite -3.10 -3.22 -0.12 0.000e+00 0 0.000e+00
Polyhalite -3.95 -17.69 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 5.429e-03 4.401e-04
C 5.343e-04 4.331e-05
Ca 2.556e-02 2.072e-03
Cl 3.615e+00 2.930e-01
K 6.118e-02 4.960e-03
Mg 3.462e-01 2.807e-02
Na 3.138e+00 2.544e-01
S 1.469e-01 1.191e-02
----------------------------Description of solution----------------------------
pH = 7.498 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 286245
Density (g/cm3) = 1.14064
Volume (L) = 0.08786
Activity of water = 0.861
Ionic strength = 4.447e+00
Mass of water (kg) = 8.107e-02
Total alkalinity (eq/kg) = 6.405e-04
Total CO2 (mol/kg) = 5.343e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.250e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35
Iterations = 9
Gamma iterations = 4
Osmotic coefficient = 1.13202
Density of water = 0.99704
Total H = 8.999797e+00
Total O = 4.547651e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 9.779e-07 2.728e-07 -6.010 -6.564 -0.554 2.11
H+ 1.163e-08 3.180e-08 -7.935 -7.498 0.437 0.00
H2O 5.551e+01 8.610e-01 1.744 -0.065 0.000 18.07
Br 5.429e-03
Br- 5.429e-03 3.891e-03 -2.265 -2.410 -0.145 26.77
C(4) 5.343e-04
HCO3- 4.386e-04 1.352e-04 -3.358 -3.869 -0.511 34.56
MgCO3 6.590e-05 6.590e-05 -4.181 -4.181 0.000 -17.09
CO3-2 2.411e-05 1.947e-07 -4.618 -6.711 -2.093 6.59
CO2 5.658e-06 1.096e-05 -5.247 -4.960 0.287 30.26
Ca 2.556e-02
Ca+2 2.556e-02 2.016e-02 -1.592 -1.696 -0.103 -14.89
Cl 3.615e+00
Cl- 3.615e+00 2.104e+00 0.558 0.323 -0.235 19.84
K 6.118e-02
K+ 6.118e-02 4.214e-02 -1.213 -1.375 -0.162 11.44
Mg 3.462e-01
Mg+2 3.462e-01 3.995e-01 -0.461 -0.399 0.062 -18.46
MgCO3 6.590e-05 6.590e-05 -4.181 -4.181 0.000 -17.09
MgOH+ 2.096e-05 1.679e-05 -4.679 -4.775 -0.096 (0)
Na 3.138e+00
Na+ 3.138e+00 3.366e+00 0.497 0.527 0.031 0.95
S(6) 1.469e-01
SO4-2 1.469e-01 1.758e-03 -0.833 -2.755 -1.922 25.12
HSO4- 1.073e-08 5.326e-09 -7.970 -8.274 -0.304 41.85
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.23 -4.45 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -3.73 -5.51 -1.78 K2SO4
Bischofite -4.60 -0.14 4.46 MgCl2:6H2O
Bloedite -2.77 -5.11 -2.35 Na2Mg(SO4)2:4H2O
Brucite -2.65 -13.53 -10.88 Mg(OH)2
Burkeite -8.29 -9.06 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -5.52 -1.19 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 1.57 -15.52 -17.08 CaMg(CO3)2
Epsomite -1.73 -3.61 -1.88 MgSO4:7H2O
Gaylussite -4.97 -14.39 -9.42 CaNa2(CO3)2:5H2O
Glaserite -5.31 -9.11 -3.80 NaK3(SO4)2
Glauberite -0.91 -6.15 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.57 -0.06 1.50 H2O
Halite -0.72 0.85 1.57 NaCl
Hexahydrite -1.91 -3.54 -1.63 MgSO4:6H2O
Kainite -4.21 -4.40 -0.19 KMgClSO4:3H2O
Kalicinite -5.53 -15.58 -10.06 KHCO3
Kieserite -3.10 -3.22 -0.12 MgSO4:H2O
Labile_S -2.31 -7.98 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -2.53 -3.41 -0.89 MgSO4:4H2O
Leonite -4.94 -8.92 -3.98 K2Mg(SO4)2:4H2O
Magnesite 0.72 -7.11 -7.83 MgCO3
Mirabilite -1.14 -2.35 -1.21 Na2SO4:10H2O
Misenite -64.47 -75.27 -10.81 K8H6(SO4)7
Nahcolite -2.94 -13.68 -10.74 NaHCO3
Natron -5.48 -6.31 -0.82 Na2CO3:10H2O
Nesquehonite -2.14 -7.30 -5.17 MgCO3:3H2O
Pentahydrite -2.19 -3.48 -1.28 MgSO4:5H2O
Pirssonite -4.96 -14.19 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -3.95 -17.69 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.63 -14.82 -5.19 Ca(OH)2
Schoenite -4.72 -9.05 -4.33 K2Mg(SO4)2:6H2O
Sylvite -1.95 -1.05 0.90 KCl
Syngenite -2.57 -10.02 -7.45 K2Ca(SO4)2:H2O
Trona -8.08 -19.47 -11.38 Na3H(CO3)2:2H2O
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 -4.40 -4.22 0.000e+00 0 0.000e+00
Bischofite -4.07 0.39 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.598e-06
Calcite -0.00 -8.41 -8.41 4.082e-04 4.086e-04 3.617e-07
Carnallite -4.72 -0.39 4.33 0.000e+00 0 0.000e+00
Epsomite -1.56 -3.44 -1.88 0.000e+00 0 0.000e+00
Glauberite -0.53 -5.78 -5.25 0.000e+00 0 0.000e+00
Gypsum 0.00 -4.58 -4.58 3.361e-03 4.268e-03 9.065e-04
Halite -0.39 1.18 1.57 0.000e+00 0 0.000e+00
Hexahydrite -1.72 -3.35 -1.63 0.000e+00 0 0.000e+00
Kieserite -2.78 -2.90 -0.12 0.000e+00 0 0.000e+00
Polyhalite -3.34 -17.09 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 6.984e-03 4.401e-04
C 6.086e-04 3.835e-05
Ca 1.849e-02 1.165e-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 1.746e-01 1.100e-02
----------------------------Description of solution----------------------------
pH = 7.441 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 360816
Density (g/cm3) = 1.17346
Volume (L) = 0.06986
Activity of water = 0.812
Ionic strength = 5.663e+00
Mass of water (kg) = 6.302e-02
Total alkalinity (eq/kg) = 8.125e-04
Total CO2 (mol/kg) = 6.086e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.250e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.36
Iterations = 11
Gamma iterations = 4
Osmotic coefficient = 1.23104
Density of water = 0.99704
Total H = 6.996171e+00
Total O = 3.542201e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 9.202e-07 2.256e-07 -6.036 -6.647 -0.611 3.47
H+ 8.191e-09 3.624e-08 -8.087 -7.441 0.646 0.00
H2O 5.551e+01 8.116e-01 1.744 -0.091 0.000 18.07
Br 6.984e-03
Br- 6.984e-03 5.501e-03 -2.156 -2.260 -0.104 27.02
C(4) 6.086e-04
HCO3- 4.476e-04 1.118e-04 -3.349 -3.952 -0.602 36.97
MgCO3 1.296e-04 1.296e-04 -3.887 -3.887 0.000 -17.09
CO3-2 2.663e-05 1.413e-07 -4.575 -6.850 -2.275 8.28
CO2 4.728e-06 1.096e-05 -5.325 -4.960 0.365 30.26
Ca 1.849e-02
Ca+2 1.849e-02 2.778e-02 -1.733 -1.556 0.177 -14.41
Cl 4.650e+00
Cl- 4.650e+00 2.806e+00 0.667 0.448 -0.219 20.04
K 7.870e-02
K+ 7.870e-02 5.905e-02 -1.104 -1.229 -0.125 11.98
Mg 4.454e-01
Mg+2 4.452e-01 1.083e+00 -0.351 0.035 0.386 -17.92
MgCO3 1.296e-04 1.296e-04 -3.887 -3.887 0.000 -17.09
MgOH+ 5.153e-05 3.764e-05 -4.288 -4.424 -0.136 (0)
Na 4.036e+00
Na+ 4.036e+00 5.415e+00 0.606 0.734 0.128 1.32
S(6) 1.746e-01
SO4-2 1.746e-01 1.436e-03 -0.758 -2.843 -2.085 26.50
HSO4- 1.061e-08 4.957e-09 -7.974 -8.305 -0.330 42.00
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.17 -4.40 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -3.52 -5.30 -1.78 K2SO4
Bischofite -4.07 0.39 4.46 MgCl2:6H2O
Bloedite -2.20 -4.55 -2.35 Na2Mg(SO4)2:4H2O
Brucite -2.38 -13.26 -10.88 Mg(OH)2
Burkeite -7.36 -8.13 -0.77 Na6CO3(SO4)2
Calcite -0.00 -8.41 -8.41 CaCO3
Carnallite -4.72 -0.39 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 1.86 -15.22 -17.08 CaMg(CO3)2
Epsomite -1.56 -3.44 -1.88 MgSO4:7H2O
Gaylussite -4.82 -14.24 -9.42 CaNa2(CO3)2:5H2O
Glaserite -4.84 -8.64 -3.80 NaK3(SO4)2
Glauberite -0.53 -5.78 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.59 -0.09 1.50 H2O
Halite -0.39 1.18 1.57 NaCl
Hexahydrite -1.72 -3.35 -1.63 MgSO4:6H2O
Kainite -3.67 -3.86 -0.19 KMgClSO4:3H2O
Kalicinite -5.46 -15.52 -10.06 KHCO3
Kieserite -2.78 -2.90 -0.12 MgSO4:H2O
Labile_S -1.66 -7.33 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -2.28 -3.17 -0.89 MgSO4:4H2O
Leonite -4.49 -8.47 -3.98 K2Mg(SO4)2:4H2O
Magnesite 1.02 -6.82 -7.83 MgCO3
Mirabilite -1.07 -2.28 -1.21 Na2SO4:10H2O
Misenite -63.57 -74.38 -10.81 K8H6(SO4)7
Nahcolite -2.82 -13.56 -10.74 NaHCO3
Natron -5.46 -6.29 -0.82 Na2CO3:10H2O
Nesquehonite -1.92 -7.09 -5.17 MgCO3:3H2O
Pentahydrite -1.98 -3.26 -1.28 MgSO4:5H2O
Pirssonite -4.74 -13.97 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -3.34 -17.09 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.66 -14.85 -5.19 Ca(OH)2
Schoenite -4.32 -8.65 -4.33 K2Mg(SO4)2:6H2O
Sylvite -1.68 -0.78 0.90 KCl
Syngenite -2.34 -9.79 -7.45 K2Ca(SO4)2:H2O
Trona -7.74 -19.12 -11.38 Na3H(CO3)2:2H2O
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 -4.32 -4.22 0.000e+00 0 0.000e+00
Bischofite -3.42 1.03 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 5.362e-06
Calcite 0.00 -8.41 -8.41 4.086e-04 4.004e-04 -8.136e-06
Carnallite -3.74 0.59 4.33 0.000e+00 0 0.000e+00
Epsomite -1.31 -3.19 -1.88 0.000e+00 0 0.000e+00
Glauberite -0.02 -5.27 -5.25 0.000e+00 0 0.000e+00
Gypsum 0.00 -4.58 -4.58 4.268e-03 4.966e-03 6.990e-04
Halite 0.00 1.57 1.57 0.000e+00 2.327e-02 2.327e-02
Hexahydrite -1.42 -3.06 -1.63 0.000e+00 0 0.000e+00
Kieserite -2.28 -2.40 -0.12 0.000e+00 0 0.000e+00
Polyhalite -2.40 -16.14 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 9.785e-03 4.401e-04
C 9.143e-04 4.113e-05
Ca 1.054e-02 4.743e-04
Cl 5.998e+00 2.698e-01
K 1.103e-01 4.960e-03
Mg 6.241e-01 2.807e-02
Na 5.138e+00 2.311e-01
S 2.291e-01 1.030e-02
----------------------------Description of solution----------------------------
pH = 7.384 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 467460
Density (g/cm3) = 1.21428
Volume (L) = 0.05142
Activity of water = 0.741
Ionic strength = 7.354e+00
Mass of water (kg) = 4.498e-02
Total alkalinity (eq/kg) = 1.500e-03
Total CO2 (mol/kg) = 9.143e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.250e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.39
Iterations = 15
Gamma iterations = 5
Osmotic coefficient = 1.37578
Density of water = 0.99704
Total H = 4.993375e+00
Total O = 2.538021e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 9.013e-07 1.806e-07 -6.045 -6.743 -0.698 5.32
H+ 4.812e-09 4.131e-08 -8.318 -7.384 0.934 0.00
H2O 5.551e+01 7.405e-01 1.744 -0.130 0.000 18.07
Br 9.785e-03
Br- 9.785e-03 8.930e-03 -2.009 -2.049 -0.040 27.34
C(4) 9.143e-04
HCO3- 5.083e-04 8.949e-05 -3.294 -4.048 -0.754 40.27
MgCO3 3.704e-04 3.704e-04 -3.431 -3.431 0.000 -17.09
CO3-2 3.187e-05 9.918e-08 -4.497 -7.004 -2.507 10.45
CO2 3.709e-06 1.096e-05 -5.431 -4.960 0.471 30.26
Ca 1.054e-02
Ca+2 1.054e-02 3.957e-02 -1.977 -1.403 0.574 -13.75
Cl 5.998e+00
Cl- 5.998e+00 3.852e+00 0.778 0.586 -0.192 20.28
K 1.103e-01
K+ 1.103e-01 9.444e-02 -0.958 -1.025 -0.067 12.71
Mg 6.241e-01
Mg+2 6.235e-01 4.407e+00 -0.205 0.644 0.849 -17.19
MgCO3 3.704e-04 3.704e-04 -3.431 -3.431 0.000 -17.09
MgOH+ 1.864e-04 1.226e-04 -3.730 -3.911 -0.182 (0)
Na 5.138e+00
Na+ 5.138e+00 9.646e+00 0.711 0.984 0.274 1.79
S(6) 2.291e-01
SO4-2 2.291e-01 1.211e-03 -0.640 -2.917 -2.277 28.20
HSO4- 1.093e-08 4.766e-09 -7.961 -8.322 -0.360 42.17
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.09 -4.32 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -3.19 -4.97 -1.78 K2SO4
Bischofite -3.42 1.03 4.46 MgCl2:6H2O
Bloedite -1.40 -3.74 -2.35 Na2Mg(SO4)2:4H2O
Brucite -1.96 -12.84 -10.88 Mg(OH)2
Burkeite -6.16 -6.93 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -3.74 0.59 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 2.32 -14.77 -17.08 CaMg(CO3)2
Epsomite -1.31 -3.19 -1.88 MgSO4:7H2O
Gaylussite -4.67 -14.09 -9.42 CaNa2(CO3)2:5H2O
Glaserite -4.12 -7.92 -3.80 NaK3(SO4)2
Glauberite -0.02 -5.27 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.63 -0.13 1.50 H2O
Halite 0.00 1.57 1.57 NaCl
Hexahydrite -1.42 -3.06 -1.63 MgSO4:6H2O
Kainite -2.91 -3.10 -0.19 KMgClSO4:3H2O
Kalicinite -5.35 -15.41 -10.06 KHCO3
Kieserite -2.28 -2.40 -0.12 MgSO4:H2O
Labile_S -0.80 -6.48 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -1.91 -2.79 -0.89 MgSO4:4H2O
Leonite -3.78 -7.76 -3.98 K2Mg(SO4)2:4H2O
Magnesite 1.47 -6.36 -7.83 MgCO3
Mirabilite -1.04 -2.25 -1.21 Na2SO4:10H2O
Misenite -62.11 -72.92 -10.81 K8H6(SO4)7
Nahcolite -2.66 -13.40 -10.74 NaHCO3
Natron -5.51 -6.34 -0.82 Na2CO3:10H2O
Nesquehonite -1.58 -6.75 -5.17 MgCO3:3H2O
Pentahydrite -1.64 -2.93 -1.28 MgSO4:5H2O
Pirssonite -4.47 -13.70 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -2.40 -16.14 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.70 -14.89 -5.19 Ca(OH)2
Schoenite -3.69 -8.02 -4.33 K2Mg(SO4)2:6H2O
Sylvite -1.34 -0.44 0.90 KCl
Syngenite -1.97 -9.42 -7.45 K2Ca(SO4)2:H2O
Trona -7.31 -18.70 -11.38 Na3H(CO3)2:2H2O
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 -0.08 -4.31 -4.22 0.000e+00 0 0.000e+00
Bischofite -3.11 1.34 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.270e-06
Calcite -0.00 -8.41 -8.41 4.004e-04 3.970e-04 -3.400e-06
Carnallite -3.17 1.16 4.33 0.000e+00 0 0.000e+00
Epsomite -0.99 -2.87 -1.88 0.000e+00 0 0.000e+00
Glauberite -0.00 -5.25 -5.25 0.000e+00 2.034e-03 2.034e-03
Gypsum 0.00 -4.58 -4.58 4.966e-03 3.182e-03 -1.784e-03
Halite 0.00 1.57 1.57 2.327e-02 1.303e-01 1.071e-01
Hexahydrite -1.10 -2.73 -1.63 0.000e+00 0 0.000e+00
Kieserite -1.93 -2.05 -0.12 0.000e+00 0 0.000e+00
Polyhalite -1.50 -15.25 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.628e-02 4.401e-04
C 1.489e-03 4.026e-05
Ca 8.447e-03 2.283e-04
Cl 6.020e+00 1.627e-01
K 1.835e-01 4.960e-03
Mg 1.039e+00 2.807e-02
Na 4.438e+00 1.200e-01
S 2.968e-01 8.022e-03
----------------------------Description of solution----------------------------
pH = 7.400 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 485121
Density (g/cm3) = 1.22168
Volume (L) = 0.03091
Activity of water = 0.731
Ionic strength = 8.015e+00
Mass of water (kg) = 2.703e-02
Total alkalinity (eq/kg) = 2.748e-03
Total CO2 (mol/kg) = 1.489e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.250e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.62
Iterations = 12
Gamma iterations = 4
Osmotic coefficient = 1.45089
Density of water = 0.99704
Total H = 3.000512e+00
Total O = 1.532459e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.275e-06 1.848e-07 -5.895 -6.733 -0.839 6.03
H+ 4.083e-09 3.983e-08 -8.389 -7.400 0.989 0.00
H2O 5.551e+01 7.307e-01 1.744 -0.136 0.000 18.07
Br 1.628e-02
Br- 1.628e-02 1.609e-02 -1.788 -1.794 -0.005 27.45
C(4) 1.489e-03
MgCO3 8.205e-04 8.205e-04 -3.086 -3.086 0.000 -17.09
HCO3- 5.998e-04 9.159e-05 -3.222 -4.038 -0.816 41.55
CO3-2 6.550e-05 1.053e-07 -4.184 -6.978 -2.794 11.26
CO2 3.528e-06 1.096e-05 -5.453 -4.960 0.492 30.26
Ca 8.447e-03
Ca+2 8.447e-03 3.727e-02 -2.073 -1.429 0.645 -13.50
Cl 6.020e+00
Cl- 6.020e+00 3.970e+00 0.780 0.599 -0.181 20.37
K 1.835e-01
K+ 1.835e-01 1.655e-01 -0.736 -0.781 -0.045 13.00
Mg 1.039e+00
Mg+2 1.037e+00 9.196e+00 0.016 0.964 0.948 -16.90
MgCO3 8.205e-04 8.205e-04 -3.086 -3.086 0.000 -17.09
MgOH+ 3.749e-04 2.619e-04 -3.426 -3.582 -0.156 (0)
Na 4.438e+00
Na+ 4.438e+00 9.358e+00 0.647 0.971 0.324 1.97
S(6) 2.968e-01
SO4-2 2.968e-01 1.320e-03 -0.528 -2.879 -2.352 28.81
HSO4- 9.651e-09 5.009e-09 -8.015 -8.300 -0.285 42.23
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.08 -4.31 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -2.67 -4.44 -1.78 K2SO4
Bischofite -3.11 1.34 4.46 MgCl2:6H2O
Bloedite -1.05 -3.40 -2.35 Na2Mg(SO4)2:4H2O
Brucite -1.62 -12.50 -10.88 Mg(OH)2
Burkeite -6.14 -6.91 -0.77 Na6CO3(SO4)2
Calcite -0.00 -8.41 -8.41 CaCO3
Carnallite -3.17 1.16 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 2.66 -14.42 -17.08 CaMg(CO3)2
Epsomite -0.99 -2.87 -1.88 MgSO4:7H2O
Gaylussite -4.70 -14.12 -9.42 CaNa2(CO3)2:5H2O
Glaserite -3.33 -7.13 -3.80 NaK3(SO4)2
Glauberite -0.00 -5.25 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.64 -0.14 1.50 H2O
Halite 0.00 1.57 1.57 NaCl
Hexahydrite -1.10 -2.73 -1.63 MgSO4:6H2O
Kainite -2.31 -2.51 -0.19 KMgClSO4:3H2O
Kalicinite -5.10 -15.16 -10.06 KHCO3
Kieserite -1.93 -2.05 -0.12 MgSO4:H2O
Labile_S -0.78 -6.45 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -1.57 -2.46 -0.89 MgSO4:4H2O
Leonite -2.92 -6.90 -3.98 K2Mg(SO4)2:4H2O
Magnesite 1.82 -6.01 -7.83 MgCO3
Mirabilite -1.09 -2.30 -1.21 Na2SO4:10H2O
Misenite -60.00 -70.80 -10.81 K8H6(SO4)7
Nahcolite -2.66 -13.41 -10.74 NaHCO3
Natron -5.57 -6.40 -0.82 Na2CO3:10H2O
Nesquehonite -1.26 -6.42 -5.17 MgCO3:3H2O
Pentahydrite -1.31 -2.60 -1.28 MgSO4:5H2O
Pirssonite -4.48 -13.71 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -1.50 -15.25 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.71 -14.90 -5.19 Ca(OH)2
Schoenite -2.85 -7.17 -4.33 K2Mg(SO4)2:6H2O
Sylvite -1.08 -0.18 0.90 KCl
Syngenite -1.44 -8.89 -7.45 K2Ca(SO4)2:H2O
Trona -7.33 -18.71 -11.38 Na3H(CO3)2:2H2O
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 -0.08 -4.30 -4.22 0.000e+00 0 0.000e+00
Bischofite -2.98 1.47 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 1.288e-06
Calcite 0.00 -8.41 -8.41 3.970e-04 3.941e-04 -2.972e-06
Carnallite -2.94 1.39 4.33 0.000e+00 0 0.000e+00
Epsomite -0.87 -2.75 -1.88 0.000e+00 0 0.000e+00
Glauberite -0.00 -5.25 -5.25 2.034e-03 2.551e-03 5.174e-04
Gypsum 0.00 -4.58 -4.58 3.182e-03 2.724e-03 -4.587e-04
Halite 0.00 1.57 1.57 1.303e-01 1.569e-01 2.656e-02
Hexahydrite -0.98 -2.61 -1.63 0.000e+00 0 0.000e+00
Kieserite -1.79 -1.91 -0.12 0.000e+00 0 0.000e+00
Polyhalite -1.16 -14.91 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.953e-02 4.401e-04
C 1.861e-03 4.194e-05
Ca 7.656e-03 1.726e-04
Cl 6.040e+00 1.362e-01
K 2.200e-01 4.960e-03
Mg 1.245e+00 2.807e-02
Na 4.098e+00 9.237e-02
S 3.303e-01 7.445e-03
----------------------------Description of solution----------------------------
pH = 7.402 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 495832
Density (g/cm3) = 1.22557
Volume (L) = 0.02579
Activity of water = 0.725
Ionic strength = 8.353e+00
Mass of water (kg) = 2.254e-02
Total alkalinity (eq/kg) = 3.559e-03
Total CO2 (mol/kg) = 1.861e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.250e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.74
Iterations = 9
Gamma iterations = 3
Osmotic coefficient = 1.49143
Density of water = 0.99704
Total H = 2.502346e+00
Total O = 1.281079e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.493e-06 1.845e-07 -5.826 -6.734 -0.908 6.39
H+ 3.776e-09 3.960e-08 -8.423 -7.402 1.021 0.00
H2O 5.551e+01 7.251e-01 1.744 -0.140 0.000 18.07
Br 1.953e-02
Br- 1.953e-02 2.005e-02 -1.709 -1.698 0.011 27.51
C(4) 1.861e-03
MgCO3 1.120e-03 1.120e-03 -2.951 -2.951 0.000 -17.09
HCO3- 6.470e-04 9.142e-05 -3.189 -4.039 -0.850 42.20
CO3-2 9.058e-05 1.057e-07 -4.043 -6.976 -2.933 11.66
CO2 3.434e-06 1.096e-05 -5.464 -4.960 0.504 30.26
Ca 7.656e-03
Ca+2 7.656e-03 3.713e-02 -2.116 -1.430 0.686 -13.38
Cl 6.040e+00
Cl- 6.040e+00 4.039e+00 0.781 0.606 -0.175 20.41
K 2.200e-01
K+ 2.200e-01 2.043e-01 -0.657 -0.690 -0.032 13.15
Mg 1.245e+00
Mg+2 1.244e+00 1.250e+01 0.095 1.097 1.002 -16.76
MgCO3 1.120e-03 1.120e-03 -2.951 -2.951 0.000 -17.09
MgOH+ 4.900e-04 3.553e-04 -3.310 -3.449 -0.140 (0)
Na 4.098e+00
Na+ 4.098e+00 9.198e+00 0.613 0.964 0.351 2.06
S(6) 3.303e-01
SO4-2 3.303e-01 1.346e-03 -0.481 -2.871 -2.390 29.11
HSO4- 8.990e-09 5.077e-09 -8.046 -8.294 -0.248 42.25
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.08 -4.30 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -2.47 -4.25 -1.78 K2SO4
Bischofite -2.98 1.47 4.46 MgCl2:6H2O
Bloedite -0.93 -3.28 -2.35 Na2Mg(SO4)2:4H2O
Brucite -1.49 -12.37 -10.88 Mg(OH)2
Burkeite -6.16 -6.94 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -2.94 1.39 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 2.80 -14.29 -17.08 CaMg(CO3)2
Epsomite -0.87 -2.75 -1.88 MgSO4:7H2O
Gaylussite -4.73 -14.15 -9.42 CaNa2(CO3)2:5H2O
Glaserite -3.04 -6.85 -3.80 NaK3(SO4)2
Glauberite -0.00 -5.25 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.64 -0.14 1.50 H2O
Halite 0.00 1.57 1.57 NaCl
Hexahydrite -0.98 -2.61 -1.63 MgSO4:6H2O
Kainite -2.08 -2.28 -0.19 KMgClSO4:3H2O
Kalicinite -5.01 -15.07 -10.06 KHCO3
Kieserite -1.79 -1.91 -0.12 MgSO4:H2O
Labile_S -0.80 -6.47 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -1.45 -2.33 -0.89 MgSO4:4H2O
Leonite -2.60 -6.58 -3.98 K2Mg(SO4)2:4H2O
Magnesite 1.95 -5.88 -7.83 MgCO3
Mirabilite -1.13 -2.34 -1.21 Na2SO4:10H2O
Misenite -59.22 -70.03 -10.81 K8H6(SO4)7
Nahcolite -2.67 -13.41 -10.74 NaHCO3
Natron -5.62 -6.44 -0.82 Na2CO3:10H2O
Nesquehonite -1.13 -6.30 -5.17 MgCO3:3H2O
Pentahydrite -1.19 -2.47 -1.28 MgSO4:5H2O
Pirssonite -4.50 -13.73 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -1.16 -14.91 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.71 -14.90 -5.19 Ca(OH)2
Schoenite -2.53 -6.86 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.98 -0.08 0.90 KCl
Syngenite -1.24 -8.69 -7.45 K2Ca(SO4)2:H2O
Trona -7.36 -18.74 -11.38 Na3H(CO3)2:2H2O
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 -0.07 -4.29 -4.22 0.000e+00 0 0.000e+00
Bischofite -2.81 1.65 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 1.506e-06
Calcite 0.00 -8.41 -8.41 3.941e-04 3.876e-04 -6.469e-06
Carnallite -2.64 1.69 4.33 0.000e+00 0 0.000e+00
Epsomite -0.71 -2.59 -1.88 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.25 -5.25 2.551e-03 2.909e-03 3.576e-04
Gypsum 0.00 -4.58 -4.58 2.724e-03 2.427e-03 -2.966e-04
Halite 0.00 1.57 1.57 1.569e-01 1.834e-01 2.651e-02
Hexahydrite -0.81 -2.45 -1.63 0.000e+00 0 0.000e+00
Kieserite -1.60 -1.72 -0.12 0.000e+00 0 0.000e+00
Polyhalite -0.71 -14.45 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.439e-02 4.401e-04
C 2.599e-03 4.690e-05
Ca 6.539e-03 1.180e-04
Cl 6.075e+00 1.096e-01
K 2.748e-01 4.960e-03
Mg 1.555e+00 2.807e-02
Na 3.609e+00 6.514e-02
S 3.893e-01 7.027e-03
----------------------------Description of solution----------------------------
pH = 7.406 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 515133
Density (g/cm3) = 1.23219
Volume (L) = 0.02068
Activity of water = 0.716
Ionic strength = 8.890e+00
Mass of water (kg) = 1.805e-02
Total alkalinity (eq/kg) = 5.162e-03
Total CO2 (mol/kg) = 2.599e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.250e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.90
Iterations = 10
Gamma iterations = 4
Osmotic coefficient = 1.55543
Density of water = 0.99704
Total H = 2.003533e+00
Total O = 1.030014e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.883e-06 1.836e-07 -5.725 -6.736 -1.011 6.97
H+ 3.323e-09 3.927e-08 -8.479 -7.406 1.073 0.00
H2O 5.551e+01 7.157e-01 1.744 -0.145 0.000 18.07
Br 2.439e-02
Br- 2.439e-02 2.652e-02 -1.613 -1.576 0.036 27.59
C(4) 2.599e-03
MgCO3 1.718e-03 1.718e-03 -2.765 -2.765 0.000 -17.09
HCO3- 7.320e-04 9.100e-05 -3.135 -4.041 -0.905 43.25
CO3-2 1.452e-04 1.061e-07 -3.838 -6.974 -3.136 12.31
CO2 3.281e-06 1.096e-05 -5.484 -4.960 0.524 30.26
Ca 6.539e-03
Ca+2 6.539e-03 3.698e-02 -2.185 -1.432 0.753 -13.17
Cl 6.075e+00
Cl- 6.075e+00 4.154e+00 0.784 0.618 -0.165 20.47
K 2.748e-01
K+ 2.748e-01 2.671e-01 -0.561 -0.573 -0.012 13.38
Mg 1.555e+00
Mg+2 1.553e+00 1.911e+01 0.191 1.281 1.090 -16.53
MgCO3 1.718e-03 1.718e-03 -2.765 -2.765 0.000 -17.09
MgOH+ 7.008e-04 5.407e-04 -3.154 -3.267 -0.113 (0)
Na 3.609e+00
Na+ 3.609e+00 8.943e+00 0.557 0.951 0.394 2.20
S(6) 3.893e-01
SO4-2 3.893e-01 1.387e-03 -0.410 -2.858 -2.448 29.58
HSO4- 8.131e-09 5.188e-09 -8.090 -8.285 -0.195 42.29
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.07 -4.29 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -2.23 -4.00 -1.78 K2SO4
Bischofite -2.81 1.65 4.46 MgCl2:6H2O
Bloedite -0.77 -3.11 -2.35 Na2Mg(SO4)2:4H2O
Brucite -1.31 -12.19 -10.88 Mg(OH)2
Burkeite -6.21 -6.98 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -2.64 1.69 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 2.98 -14.10 -17.08 CaMg(CO3)2
Epsomite -0.71 -2.59 -1.88 MgSO4:7H2O
Gaylussite -4.78 -14.20 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.68 -6.48 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.25 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.65 -0.15 1.50 H2O
Halite 0.00 1.57 1.57 NaCl
Hexahydrite -0.81 -2.45 -1.63 MgSO4:6H2O
Kainite -1.77 -1.97 -0.19 KMgClSO4:3H2O
Kalicinite -4.90 -14.95 -10.06 KHCO3
Kieserite -1.60 -1.72 -0.12 MgSO4:H2O
Labile_S -0.82 -6.49 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -1.27 -2.16 -0.89 MgSO4:4H2O
Leonite -2.18 -6.16 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.14 -5.69 -7.83 MgCO3
Mirabilite -1.19 -2.41 -1.21 Na2SO4:10H2O
Misenite -58.22 -69.03 -10.81 K8H6(SO4)7
Nahcolite -2.69 -13.43 -10.74 NaHCO3
Natron -5.70 -6.52 -0.82 Na2CO3:10H2O
Nesquehonite -0.96 -6.13 -5.17 MgCO3:3H2O
Pentahydrite -1.02 -2.30 -1.28 MgSO4:5H2O
Pirssonite -4.53 -13.77 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -0.71 -14.45 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.71 -14.90 -5.19 Ca(OH)2
Schoenite -2.12 -6.45 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.85 0.05 0.90 KCl
Syngenite -0.99 -8.44 -7.45 K2Ca(SO4)2:H2O
Trona -7.41 -18.79 -11.38 Na3H(CO3)2:2H2O
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 -0.05 -4.28 -4.22 0.000e+00 0 0.000e+00
Bischofite -2.64 1.82 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 1.362e-06
Calcite 0.00 -8.41 -8.41 3.876e-04 3.777e-04 -9.938e-06
Carnallite -2.35 1.98 4.33 0.000e+00 0 0.000e+00
Epsomite -0.56 -2.44 -1.88 0.000e+00 0 0.000e+00
Glauberite -0.00 -5.25 -5.25 2.909e-03 2.946e-03 3.731e-05
Gypsum 0.00 -4.58 -4.58 2.427e-03 2.437e-03 9.592e-06
Halite 0.00 1.57 1.57 1.834e-01 2.020e-01 1.864e-02
Hexahydrite -0.66 -2.29 -1.63 0.000e+00 0 0.000e+00
Kieserite -1.41 -1.53 -0.12 0.000e+00 0 0.000e+00
Polyhalite -0.27 -14.01 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.959e-02 4.401e-04
C 3.729e-03 5.548e-05
Ca 5.448e-03 8.105e-05
Cl 6.117e+00 9.100e-02
K 3.334e-01 4.960e-03
Mg 1.887e+00 2.807e-02
Na 3.121e+00 4.643e-02
S 4.667e-01 6.943e-03
----------------------------Description of solution----------------------------
pH = 7.410 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 539390
Density (g/cm3) = 1.24050
Volume (L) = 0.01709
Activity of water = 0.704
Ionic strength = 9.513e+00
Mass of water (kg) = 1.488e-02
Total alkalinity (eq/kg) = 7.598e-03
Total CO2 (mol/kg) = 3.729e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.250e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.06
Iterations = 10
Gamma iterations = 4
Osmotic coefficient = 1.62789
Density of water = 0.99704
Total H = 1.651494e+00
Total O = 8.536850e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.395e-06 1.822e-07 -5.621 -6.739 -1.119 7.63
H+ 2.854e-09 3.893e-08 -8.545 -7.410 1.135 0.00
H2O 5.551e+01 7.041e-01 1.744 -0.152 0.000 18.07
Br 2.959e-02
Br- 2.959e-02 3.424e-02 -1.529 -1.465 0.063 27.69
C(4) 3.729e-03
MgCO3 2.642e-03 2.642e-03 -2.578 -2.578 0.000 -17.09
HCO3- 8.487e-04 9.030e-05 -3.071 -4.044 -0.973 44.45
CO3-2 2.356e-04 1.062e-07 -3.628 -6.974 -3.346 13.04
CO2 3.098e-06 1.096e-05 -5.509 -4.960 0.549 30.26
Ca 5.448e-03
Ca+2 5.448e-03 3.695e-02 -2.264 -1.432 0.831 -12.94
Cl 6.117e+00
Cl- 6.117e+00 4.294e+00 0.787 0.633 -0.154 20.54
K 3.334e-01
K+ 3.334e-01 3.410e-01 -0.477 -0.467 0.010 13.65
Mg 1.887e+00
Mg+2 1.883e+00 2.935e+01 0.275 1.468 1.193 -16.26
MgCO3 2.642e-03 2.642e-03 -2.578 -2.578 0.000 -17.09
MgOH+ 9.920e-04 8.242e-04 -3.003 -3.084 -0.080 (0)
Na 3.121e+00
Na+ 3.121e+00 8.652e+00 0.494 0.937 0.443 2.36
S(6) 4.667e-01
SO4-2 4.667e-01 1.434e-03 -0.331 -2.843 -2.512 30.10
HSO4- 7.368e-09 5.319e-09 -8.133 -8.274 -0.142 42.34
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.05 -4.28 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -2.00 -3.78 -1.78 K2SO4
Bischofite -2.64 1.82 4.46 MgCl2:6H2O
Bloedite -0.61 -2.95 -2.35 Na2Mg(SO4)2:4H2O
Brucite -1.13 -12.01 -10.88 Mg(OH)2
Burkeite -6.27 -7.04 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -2.35 1.98 4.33 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 -0.56 -2.44 -1.88 MgSO4:7H2O
Gaylussite -4.85 -14.27 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.35 -6.15 -3.80 NaK3(SO4)2
Glauberite -0.00 -5.25 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.66 -0.15 1.50 H2O
Halite 0.00 1.57 1.57 NaCl
Hexahydrite -0.66 -2.29 -1.63 MgSO4:6H2O
Kainite -1.47 -1.67 -0.19 KMgClSO4:3H2O
Kalicinite -4.79 -14.85 -10.06 KHCO3
Kieserite -1.41 -1.53 -0.12 MgSO4:H2O
Labile_S -0.85 -6.52 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -1.10 -1.99 -0.89 MgSO4:4H2O
Leonite -1.78 -5.76 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.33 -5.51 -7.83 MgCO3
Mirabilite -1.28 -2.49 -1.21 Na2SO4:10H2O
Misenite -57.29 -68.10 -10.81 K8H6(SO4)7
Nahcolite -2.70 -13.45 -10.74 NaHCO3
Natron -5.80 -6.62 -0.82 Na2CO3:10H2O
Nesquehonite -0.80 -5.96 -5.17 MgCO3:3H2O
Pentahydrite -0.85 -2.14 -1.28 MgSO4:5H2O
Pirssonite -4.58 -13.81 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -0.27 -14.01 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.72 -14.91 -5.19 Ca(OH)2
Schoenite -1.74 -6.07 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.73 0.17 0.90 KCl
Syngenite -0.76 -8.21 -7.45 K2Ca(SO4)2:H2O
Trona -7.47 -18.85 -11.38 Na3H(CO3)2:2H2O
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 -0.05 -4.27 -4.22 0.000e+00 0 0.000e+00
Bischofite -2.57 1.88 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.772e-07
Calcite 0.00 -8.41 -8.41 3.777e-04 3.731e-04 -4.596e-06
Carnallite -2.24 2.09 4.33 0.000e+00 0 0.000e+00
Epsomite -0.51 -2.39 -1.88 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.25 -5.25 2.946e-03 2.894e-03 -5.167e-05
Gypsum 0.00 -4.58 -4.58 2.437e-03 2.503e-03 6.638e-05
Halite 0.00 1.57 1.57 2.020e-01 2.073e-01 5.297e-03
Hexahydrite -0.60 -2.23 -1.63 0.000e+00 0 0.000e+00
Kieserite -1.34 -1.46 -0.12 0.000e+00 0 0.000e+00
Polyhalite -0.11 -13.86 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 3.150e-02 4.401e-04
C 4.265e-03 5.960e-05
Ca 5.077e-03 7.094e-05
Cl 6.133e+00 8.570e-02
K 3.550e-01 4.960e-03
Mg 2.009e+00 2.807e-02
Na 2.951e+00 4.123e-02
S 4.995e-01 6.980e-03
----------------------------Description of solution----------------------------
pH = 7.411 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 548763
Density (g/cm3) = 1.24393
Volume (L) = 0.01608
Activity of water = 0.699
Ionic strength = 9.755e+00
Mass of water (kg) = 1.397e-02
Total alkalinity (eq/kg) = 8.747e-03
Total CO2 (mol/kg) = 4.265e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.250e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.11
Iterations = 8
Gamma iterations = 3
Osmotic coefficient = 1.65552
Density of water = 0.99704
Total H = 1.551229e+00
Total O = 8.037129e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.612e-06 1.816e-07 -5.583 -6.741 -1.158 7.88
H+ 2.687e-09 3.882e-08 -8.571 -7.411 1.160 0.00
H2O 5.551e+01 6.995e-01 1.744 -0.155 0.000 18.07
Br 3.150e-02
Br- 3.150e-02 3.730e-02 -1.502 -1.428 0.073 27.73
C(4) 4.265e-03
MgCO3 3.082e-03 3.082e-03 -2.511 -2.511 0.000 -17.09
HCO3- 9.004e-04 8.997e-05 -3.046 -4.046 -1.000 44.90
CO3-2 2.800e-04 1.061e-07 -3.553 -6.974 -3.421 13.31
CO2 3.026e-06 1.096e-05 -5.519 -4.960 0.559 30.26
Ca 5.077e-03
Ca+2 5.077e-03 3.698e-02 -2.294 -1.432 0.862 -12.85
Cl 6.133e+00
Cl- 6.133e+00 4.350e+00 0.788 0.639 -0.149 20.57
K 3.550e-01
K+ 3.550e-01 3.701e-01 -0.450 -0.432 0.018 13.75
Mg 2.009e+00
Mg+2 2.005e+00 3.427e+01 0.302 1.535 1.233 -16.16
MgCO3 3.082e-03 3.082e-03 -2.511 -2.511 0.000 -17.09
MgOH+ 1.121e-03 9.586e-04 -2.951 -3.018 -0.068 (0)
Na 2.951e+00
Na+ 2.951e+00 8.541e+00 0.470 0.931 0.462 2.41
S(6) 4.995e-01
SO4-2 4.995e-01 1.452e-03 -0.301 -2.838 -2.536 30.29
HSO4- 7.123e-09 5.370e-09 -8.147 -8.270 -0.123 42.35
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.05 -4.27 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -1.93 -3.70 -1.78 K2SO4
Bischofite -2.57 1.88 4.46 MgCl2:6H2O
Bloedite -0.55 -2.90 -2.35 Na2Mg(SO4)2:4H2O
Brucite -1.07 -11.95 -10.88 Mg(OH)2
Burkeite -6.29 -7.06 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -2.24 2.09 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 3.24 -13.85 -17.08 CaMg(CO3)2
Epsomite -0.51 -2.39 -1.88 MgSO4:7H2O
Gaylussite -4.87 -14.29 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.24 -6.04 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.25 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.66 -0.16 1.50 H2O
Halite 0.00 1.57 1.57 NaCl
Hexahydrite -0.60 -2.23 -1.63 MgSO4:6H2O
Kainite -1.37 -1.56 -0.19 KMgClSO4:3H2O
Kalicinite -4.76 -14.82 -10.06 KHCO3
Kieserite -1.34 -1.46 -0.12 MgSO4:H2O
Labile_S -0.86 -6.53 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -1.04 -1.92 -0.89 MgSO4:4H2O
Leonite -1.65 -5.63 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.39 -5.44 -7.83 MgCO3
Mirabilite -1.31 -2.53 -1.21 Na2SO4:10H2O
Misenite -56.98 -67.79 -10.81 K8H6(SO4)7
Nahcolite -2.71 -13.45 -10.74 NaHCO3
Natron -5.84 -6.66 -0.82 Na2CO3:10H2O
Nesquehonite -0.74 -5.91 -5.17 MgCO3:3H2O
Pentahydrite -0.79 -2.08 -1.28 MgSO4:5H2O
Pirssonite -4.59 -13.83 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -0.11 -13.86 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.72 -14.91 -5.19 Ca(OH)2
Schoenite -1.61 -5.94 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.69 0.21 0.90 KCl
Syngenite -0.68 -8.13 -7.45 K2Ca(SO4)2:H2O
Trona -7.49 -18.88 -11.38 Na3H(CO3)2:2H2O
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 -0.04 -4.26 -4.22 0.000e+00 0 0.000e+00
Bischofite -2.51 1.94 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.715e-07
Calcite 0.00 -8.41 -8.41 3.731e-04 3.681e-04 -4.964e-06
Carnallite -2.16 2.17 4.33 0.000e+00 0 0.000e+00
Epsomite -0.46 -2.34 -1.88 0.000e+00 0 0.000e+00
Glauberite -0.00 -5.25 -5.25 2.894e-03 2.592e-03 -3.023e-04
Gypsum 0.00 -4.58 -4.58 2.503e-03 2.540e-03 3.668e-05
Halite 0.00 1.57 1.57 2.073e-01 2.128e-01 5.477e-03
Hexahydrite -0.54 -2.18 -1.63 0.000e+00 0 0.000e+00
Kieserite -1.26 -1.39 -0.12 0.000e+00 0 0.000e+00
Polyhalite 0.00 -13.74 -13.74 0.000e+00 1.399e-04 1.399e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 3.368e-02 4.401e-04
C 4.905e-03 6.409e-05
Ca 4.714e-03 6.159e-05
Cl 6.140e+00 8.023e-02
K 3.582e-01 4.680e-03
Mg 2.138e+00 2.793e-02
Na 2.783e+00 3.636e-02
S 5.348e-01 6.988e-03
----------------------------Description of solution----------------------------
pH = 7.412 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 557669
Density (g/cm3) = 1.24730
Volume (L) = 0.01505
Activity of water = 0.695
Ionic strength = 1.000e+01
Mass of water (kg) = 1.307e-02
Total alkalinity (eq/kg) = 1.011e-02
Total CO2 (mol/kg) = 4.905e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.250e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.17
Iterations = 8
Gamma iterations = 3
Osmotic coefficient = 1.68640
Density of water = 0.99704
Total H = 1.450522e+00
Total O = 7.534058e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.865e-06 1.805e-07 -5.543 -6.743 -1.201 8.14
H+ 2.528e-09 3.877e-08 -8.597 -7.412 1.186 0.00
H2O 5.551e+01 6.946e-01 1.744 -0.158 0.000 18.07
Br 3.368e-02
Br- 3.368e-02 4.084e-02 -1.473 -1.389 0.084 27.76
C(4) 4.905e-03
MgCO3 3.608e-03 3.608e-03 -2.443 -2.443 0.000 -17.09
HCO3- 9.581e-04 8.946e-05 -3.019 -4.048 -1.030 45.38
CO3-2 3.365e-04 1.057e-07 -3.473 -6.976 -3.503 13.59
CO2 2.951e-06 1.096e-05 -5.530 -4.960 0.570 30.26
Ca 4.714e-03
Ca+2 4.714e-03 3.714e-02 -2.327 -1.430 0.896 -12.76
Cl 6.140e+00
Cl- 6.140e+00 4.401e+00 0.788 0.644 -0.145 20.59
K 3.582e-01
K+ 3.582e-01 3.815e-01 -0.446 -0.418 0.027 13.86
Mg 2.138e+00
Mg+2 2.133e+00 4.029e+01 0.329 1.605 1.276 -16.06
MgCO3 3.608e-03 3.608e-03 -2.443 -2.443 0.000 -17.09
MgOH+ 1.265e-03 1.121e-03 -2.898 -2.951 -0.053 (0)
Na 2.783e+00
Na+ 2.783e+00 8.442e+00 0.444 0.926 0.482 2.48
S(6) 5.348e-01
SO4-2 5.348e-01 1.466e-03 -0.272 -2.834 -2.562 30.49
HSO4- 6.859e-09 5.414e-09 -8.164 -8.266 -0.103 42.37
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.04 -4.26 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -1.89 -3.67 -1.78 K2SO4
Bischofite -2.51 1.94 4.46 MgCl2:6H2O
Bloedite -0.50 -2.84 -2.35 Na2Mg(SO4)2:4H2O
Brucite -1.00 -11.88 -10.88 Mg(OH)2
Burkeite -6.31 -7.09 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -2.16 2.17 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 3.31 -13.78 -17.08 CaMg(CO3)2
Epsomite -0.46 -2.34 -1.88 MgSO4:7H2O
Gaylussite -4.90 -14.32 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.19 -6.00 -3.80 NaK3(SO4)2
Glauberite -0.00 -5.25 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.66 -0.16 1.50 H2O
Halite 0.00 1.57 1.57 NaCl
Hexahydrite -0.54 -2.18 -1.63 MgSO4:6H2O
Kainite -1.29 -1.48 -0.19 KMgClSO4:3H2O
Kalicinite -4.75 -14.81 -10.06 KHCO3
Kieserite -1.26 -1.39 -0.12 MgSO4:H2O
Labile_S -0.87 -6.54 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -0.97 -1.86 -0.89 MgSO4:4H2O
Leonite -1.55 -5.53 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.46 -5.37 -7.83 MgCO3
Mirabilite -1.35 -2.56 -1.21 Na2SO4:10H2O
Misenite -56.85 -67.65 -10.81 K8H6(SO4)7
Nahcolite -2.72 -13.46 -10.74 NaHCO3
Natron -5.88 -6.71 -0.82 Na2CO3:10H2O
Nesquehonite -0.68 -5.85 -5.17 MgCO3:3H2O
Pentahydrite -0.73 -2.02 -1.28 MgSO4:5H2O
Pirssonite -4.61 -13.85 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.73 -14.92 -5.19 Ca(OH)2
Schoenite -1.52 -5.85 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.67 0.23 0.90 KCl
Syngenite -0.65 -8.09 -7.45 K2Ca(SO4)2:H2O
Trona -7.52 -18.90 -11.38 Na3H(CO3)2:2H2O
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 -0.03 -4.26 -4.22 0.000e+00 0 0.000e+00
Bischofite -2.45 2.00 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 3.995e-07
Calcite 0.00 -8.41 -8.41 3.681e-04 3.636e-04 -4.483e-06
Carnallite -2.14 2.19 4.33 0.000e+00 0 0.000e+00
Epsomite -0.40 -2.29 -1.88 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.25 -5.25 2.592e-03 1.882e-03 -7.103e-04
Gypsum 0.00 -4.58 -4.58 2.540e-03 2.479e-03 -6.092e-05
Halite 0.00 1.57 1.57 2.128e-01 2.186e-01 5.797e-03
Hexahydrite -0.49 -2.12 -1.63 0.000e+00 0 0.000e+00
Kieserite -1.20 -1.32 -0.12 0.000e+00 0 0.000e+00
Polyhalite 0.00 -13.74 -13.74 1.399e-04 5.319e-04 3.920e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 3.621e-02 4.401e-04
C 5.610e-03 6.818e-05
Ca 4.391e-03 5.337e-05
Cl 6.124e+00 7.443e-02
K 3.206e-01 3.896e-03
Mg 2.266e+00 2.754e-02
Na 2.632e+00 3.198e-02
S 5.679e-01 6.901e-03
----------------------------Description of solution----------------------------
pH = 7.411 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 563614
Density (g/cm3) = 1.24996
Volume (L) = 0.01400
Activity of water = 0.690
Ionic strength = 1.022e+01
Mass of water (kg) = 1.215e-02
Total alkalinity (eq/kg) = 1.161e-02
Total CO2 (mol/kg) = 5.610e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.250e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.25
Iterations = 9
Gamma iterations = 3
Osmotic coefficient = 1.72044
Density of water = 0.99704
Total H = 1.349198e+00
Total O = 7.024111e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 3.154e-06 1.790e-07 -5.501 -6.747 -1.246 8.37
H+ 2.400e-09 3.886e-08 -8.620 -7.411 1.209 0.00
H2O 5.551e+01 6.904e-01 1.744 -0.161 0.000 18.07
Br 3.621e-02
Br- 3.621e-02 4.482e-02 -1.441 -1.349 0.093 27.80
C(4) 5.610e-03
MgCO3 4.184e-03 4.184e-03 -2.378 -2.378 0.000 -17.09
HCO3- 1.015e-03 8.871e-05 -2.993 -4.052 -1.059 45.80
CO3-2 4.072e-04 1.045e-07 -3.390 -6.981 -3.591 13.84
CO2 2.883e-06 1.096e-05 -5.540 -4.960 0.580 30.26
Ca 4.391e-03
Ca+2 4.391e-03 3.754e-02 -2.357 -1.425 0.932 -12.68
Cl 6.124e+00
Cl- 6.124e+00 4.431e+00 0.787 0.646 -0.141 20.62
K 3.206e-01
K+ 3.206e-01 3.497e-01 -0.494 -0.456 0.038 13.95
Mg 2.266e+00
Mg+2 2.260e+00 4.724e+01 0.354 1.674 1.320 -15.97
MgCO3 4.184e-03 4.184e-03 -2.378 -2.378 0.000 -17.09
MgOH+ 1.410e-03 1.303e-03 -2.851 -2.885 -0.034 (0)
Na 2.632e+00
Na+ 2.632e+00 8.385e+00 0.420 0.923 0.503 2.53
S(6) 5.679e-01
SO4-2 5.679e-01 1.468e-03 -0.246 -2.833 -2.588 30.67
HSO4- 6.567e-09 5.434e-09 -8.183 -8.265 -0.082 42.38
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.03 -4.26 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -1.97 -3.75 -1.78 K2SO4
Bischofite -2.45 2.00 4.46 MgCl2:6H2O
Bloedite -0.44 -2.79 -2.35 Na2Mg(SO4)2:4H2O
Brucite -0.94 -11.82 -10.88 Mg(OH)2
Burkeite -6.33 -7.11 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -2.14 2.19 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 3.37 -13.71 -17.08 CaMg(CO3)2
Epsomite -0.40 -2.29 -1.88 MgSO4:7H2O
Gaylussite -4.92 -14.34 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.31 -6.11 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.25 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.66 -0.16 1.50 H2O
Halite 0.00 1.57 1.57 NaCl
Hexahydrite -0.49 -2.12 -1.63 MgSO4:6H2O
Kainite -1.26 -1.45 -0.19 KMgClSO4:3H2O
Kalicinite -4.79 -14.85 -10.06 KHCO3
Kieserite -1.20 -1.32 -0.12 MgSO4:H2O
Labile_S -0.88 -6.55 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -0.92 -1.80 -0.89 MgSO4:4H2O
Leonite -1.57 -5.55 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.53 -5.31 -7.83 MgCO3
Mirabilite -1.38 -2.60 -1.21 Na2SO4:10H2O
Misenite -57.14 -67.95 -10.81 K8H6(SO4)7
Nahcolite -2.73 -13.47 -10.74 NaHCO3
Natron -5.92 -6.74 -0.82 Na2CO3:10H2O
Nesquehonite -0.62 -5.79 -5.17 MgCO3:3H2O
Pentahydrite -0.68 -1.96 -1.28 MgSO4:5H2O
Pirssonite -4.63 -13.86 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.73 -14.92 -5.19 Ca(OH)2
Schoenite -1.54 -5.87 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.71 0.19 0.90 KCl
Syngenite -0.72 -8.17 -7.45 K2Ca(SO4)2:H2O
Trona -7.54 -18.92 -11.38 Na3H(CO3)2:2H2O
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 -0.03 -4.25 -4.22 0.000e+00 0 0.000e+00
Bischofite -2.38 2.07 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.689e-07
Calcite 0.00 -8.41 -8.41 3.636e-04 3.573e-04 -6.271e-06
Carnallite -2.11 2.22 4.33 0.000e+00 0 0.000e+00
Epsomite -0.35 -2.23 -1.88 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.25 -5.25 1.882e-03 1.168e-03 -7.140e-04
Gypsum 0.00 -4.58 -4.58 2.479e-03 2.468e-03 -1.114e-05
Halite 0.00 1.57 1.57 2.186e-01 2.244e-01 5.779e-03
Hexahydrite -0.43 -2.06 -1.63 0.000e+00 0 0.000e+00
Kieserite -1.12 -1.24 -0.12 0.000e+00 0 0.000e+00
Polyhalite -0.00 -13.74 -13.74 5.319e-04 9.017e-04 3.697e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 3.916e-02 4.401e-04
C 6.582e-03 7.398e-05
Ca 4.028e-03 4.527e-05
Cl 6.108e+00 6.865e-02
K 2.808e-01 3.157e-03
Mg 2.417e+00 2.717e-02
Na 2.459e+00 2.763e-02
S 6.105e-01 6.861e-03
----------------------------Description of solution----------------------------
pH = 7.409 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 571695
Density (g/cm3) = 1.25344
Volume (L) = 0.01295
Activity of water = 0.685
Ionic strength = 1.050e+01
Mass of water (kg) = 1.124e-02
Total alkalinity (eq/kg) = 1.367e-02
Total CO2 (mol/kg) = 6.582e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.250e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.34
Iterations = 9
Gamma iterations = 3
Osmotic coefficient = 1.76136
Density of water = 0.99704
Total H = 1.247764e+00
Total O = 6.515522e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 3.526e-06 1.771e-07 -5.453 -6.752 -1.299 8.66
H+ 2.251e-09 3.896e-08 -8.648 -7.409 1.238 0.00
H2O 5.551e+01 6.851e-01 1.744 -0.164 0.000 18.07
Br 3.916e-02
Br- 3.916e-02 4.965e-02 -1.407 -1.304 0.103 27.84
C(4) 6.582e-03
MgCO3 4.981e-03 4.981e-03 -2.303 -2.303 0.000 -17.09
HCO3- 1.091e-03 8.778e-05 -2.962 -4.057 -1.094 46.32
CO3-2 5.074e-04 1.031e-07 -3.295 -6.987 -3.692 14.15
CO2 2.798e-06 1.096e-05 -5.553 -4.960 0.593 30.26
Ca 4.028e-03
Ca+2 4.028e-03 3.805e-02 -2.395 -1.420 0.975 -12.58
Cl 6.108e+00
Cl- 6.108e+00 4.471e+00 0.786 0.650 -0.136 20.64
K 2.808e-01
K+ 2.808e-01 3.152e-01 -0.552 -0.501 0.050 14.07
Mg 2.417e+00
Mg+2 2.411e+00 5.698e+01 0.382 1.756 1.374 -15.85
MgCO3 4.981e-03 4.981e-03 -2.303 -2.303 0.000 -17.09
MgOH+ 1.601e-03 1.555e-03 -2.796 -2.808 -0.013 (0)
Na 2.459e+00
Na+ 2.459e+00 8.310e+00 0.391 0.920 0.529 2.60
S(6) 6.105e-01
SO4-2 6.105e-01 1.471e-03 -0.214 -2.832 -2.618 30.88
HSO4- 6.253e-09 5.462e-09 -8.204 -8.263 -0.059 42.40
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.03 -4.25 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -2.06 -3.83 -1.78 K2SO4
Bischofite -2.38 2.07 4.46 MgCl2:6H2O
Bloedite -0.38 -2.73 -2.35 Na2Mg(SO4)2:4H2O
Brucite -0.87 -11.75 -10.88 Mg(OH)2
Burkeite -6.36 -7.13 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -2.11 2.22 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 3.45 -13.64 -17.08 CaMg(CO3)2
Epsomite -0.35 -2.23 -1.88 MgSO4:7H2O
Gaylussite -4.95 -14.37 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.45 -6.25 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.25 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.67 -0.16 1.50 H2O
Halite 0.00 1.57 1.57 NaCl
Hexahydrite -0.43 -2.06 -1.63 MgSO4:6H2O
Kainite -1.23 -1.42 -0.19 KMgClSO4:3H2O
Kalicinite -4.84 -14.90 -10.06 KHCO3
Kieserite -1.12 -1.24 -0.12 MgSO4:H2O
Labile_S -0.89 -6.57 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -0.85 -1.73 -0.89 MgSO4:4H2O
Leonite -1.59 -5.57 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.60 -5.23 -7.83 MgCO3
Mirabilite -1.42 -2.64 -1.21 Na2SO4:10H2O
Misenite -57.49 -68.29 -10.81 K8H6(SO4)7
Nahcolite -2.73 -13.48 -10.74 NaHCO3
Natron -5.96 -6.79 -0.82 Na2CO3:10H2O
Nesquehonite -0.56 -5.72 -5.17 MgCO3:3H2O
Pentahydrite -0.61 -1.90 -1.28 MgSO4:5H2O
Pirssonite -4.65 -13.88 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.73 -14.92 -5.19 Ca(OH)2
Schoenite -1.57 -5.90 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.75 0.15 0.90 KCl
Syngenite -0.80 -8.25 -7.45 K2Ca(SO4)2:H2O
Trona -7.57 -18.95 -11.38 Na3H(CO3)2:2H2O
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 -0.02 -4.25 -4.22 0.000e+00 0 0.000e+00
Bischofite -2.34 2.12 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 3.265e-07
Calcite 0.00 -8.41 -8.41 3.573e-04 3.523e-04 -5.004e-06
Carnallite -2.09 2.24 4.33 0.000e+00 0 0.000e+00
Epsomite -0.31 -2.19 -1.88 0.000e+00 0 0.000e+00
Glauberite -0.00 -5.25 -5.25 1.168e-03 7.331e-04 -4.345e-04
Gypsum 0.00 -4.58 -4.58 2.468e-03 2.493e-03 2.524e-05
Halite 0.00 1.57 1.57 2.244e-01 2.279e-01 3.459e-03
Hexahydrite -0.39 -2.02 -1.63 0.000e+00 0 0.000e+00
Kieserite -1.06 -1.19 -0.12 0.000e+00 0 0.000e+00
Polyhalite -0.00 -13.74 -13.74 9.017e-04 1.111e-03 2.095e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 4.117e-02 4.401e-04
C 7.357e-03 7.865e-05
Ca 3.788e-03 4.050e-05
Cl 6.098e+00 6.519e-02
K 2.561e-01 2.738e-03
Mg 2.522e+00 2.696e-02
Na 2.343e+00 2.504e-02
S 6.423e-01 6.867e-03
----------------------------Description of solution----------------------------
pH = 7.408 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 577971
Density (g/cm3) = 1.25606
Volume (L) = 0.01233
Activity of water = 0.681
Ionic strength = 1.069e+01
Mass of water (kg) = 1.069e-02
Total alkalinity (eq/kg) = 1.531e-02
Total CO2 (mol/kg) = 7.357e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.250e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.40
Iterations = 7
Gamma iterations = 3
Osmotic coefficient = 1.79008
Density of water = 0.99704
Total H = 1.186825e+00
Total O = 6.211198e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 3.802e-06 1.758e-07 -5.420 -6.755 -1.335 8.86
H+ 2.149e-09 3.904e-08 -8.668 -7.408 1.259 0.00
H2O 5.551e+01 6.811e-01 1.744 -0.167 0.000 18.07
Br 4.117e-02
Br- 4.117e-02 5.310e-02 -1.385 -1.275 0.111 27.86
C(4) 7.357e-03
MgCO3 5.616e-03 5.616e-03 -2.251 -2.251 0.000 -17.09
HCO3- 1.149e-03 8.711e-05 -2.940 -4.060 -1.120 46.70
CO3-2 5.890e-04 1.022e-07 -3.230 -6.991 -3.761 14.37
CO2 2.738e-06 1.096e-05 -5.563 -4.960 0.602 30.26
Ca 3.788e-03
Ca+2 3.788e-03 3.841e-02 -2.422 -1.416 1.006 -12.50
Cl 6.098e+00
Cl- 6.098e+00 4.501e+00 0.785 0.653 -0.132 20.66
K 2.561e-01
K+ 2.561e-01 2.932e-01 -0.592 -0.533 0.059 14.15
Mg 2.522e+00
Mg+2 2.514e+00 6.487e+01 0.400 1.812 1.412 -15.77
MgCO3 5.616e-03 5.616e-03 -2.251 -2.251 0.000 -17.09
MgOH+ 1.746e-03 1.757e-03 -2.758 -2.755 0.003 (0)
Na 2.343e+00
Na+ 2.343e+00 8.255e+00 0.370 0.917 0.547 2.64
S(6) 6.423e-01
SO4-2 6.423e-01 1.474e-03 -0.192 -2.831 -2.639 31.03
HSO4- 6.056e-09 5.483e-09 -8.218 -8.261 -0.043 42.41
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.02 -4.25 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -2.12 -3.90 -1.78 K2SO4
Bischofite -2.34 2.12 4.46 MgCl2:6H2O
Bloedite -0.34 -2.68 -2.35 Na2Mg(SO4)2:4H2O
Brucite -0.82 -11.70 -10.88 Mg(OH)2
Burkeite -6.38 -7.15 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -2.09 2.24 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 3.50 -13.58 -17.08 CaMg(CO3)2
Epsomite -0.31 -2.19 -1.88 MgSO4:7H2O
Gaylussite -4.98 -14.40 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.54 -6.34 -3.80 NaK3(SO4)2
Glauberite -0.00 -5.25 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.67 -0.17 1.50 H2O
Halite 0.00 1.57 1.57 NaCl
Hexahydrite -0.39 -2.02 -1.63 MgSO4:6H2O
Kainite -1.21 -1.40 -0.19 KMgClSO4:3H2O
Kalicinite -4.87 -14.93 -10.06 KHCO3
Kieserite -1.06 -1.19 -0.12 MgSO4:H2O
Labile_S -0.90 -6.58 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -0.80 -1.69 -0.89 MgSO4:4H2O
Leonite -1.60 -5.58 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.66 -5.18 -7.83 MgCO3
Mirabilite -1.45 -2.67 -1.21 Na2SO4:10H2O
Misenite -57.73 -68.53 -10.81 K8H6(SO4)7
Nahcolite -2.74 -13.48 -10.74 NaHCO3
Natron -6.00 -6.82 -0.82 Na2CO3:10H2O
Nesquehonite -0.51 -5.68 -5.17 MgCO3:3H2O
Pentahydrite -0.57 -1.85 -1.28 MgSO4:5H2O
Pirssonite -4.66 -13.90 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.74 -14.93 -5.19 Ca(OH)2
Schoenite -1.59 -5.92 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.78 0.12 0.90 KCl
Syngenite -0.86 -8.31 -7.45 K2Ca(SO4)2:H2O
Trona -7.59 -18.97 -11.38 Na3H(CO3)2:2H2O
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 -0.02 -4.24 -4.22 0.000e+00 0 0.000e+00
Bischofite -2.28 2.17 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 3.712e-07
Calcite 0.00 -8.41 -8.41 3.523e-04 3.460e-04 -6.314e-06
Carnallite -2.07 2.26 4.33 0.000e+00 0 0.000e+00
Epsomite -0.26 -2.14 -1.88 0.000e+00 0 0.000e+00
Glauberite -0.00 -5.25 -5.25 7.331e-04 2.896e-04 -4.435e-04
Gypsum 0.00 -4.58 -4.58 2.493e-03 2.549e-03 5.643e-05
Halite 0.00 1.57 1.57 2.279e-01 2.313e-01 3.455e-03
Hexahydrite -0.34 -1.97 -1.63 0.000e+00 0 0.000e+00
Kieserite -1.00 -1.12 -0.12 0.000e+00 0 0.000e+00
Polyhalite 0.00 -13.74 -13.74 1.111e-03 1.310e-03 1.990e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 4.340e-02 4.401e-04
C 8.342e-03 8.460e-05
Ca 3.531e-03 3.580e-05
Cl 6.088e+00 6.174e-02
K 2.307e-01 2.339e-03
Mg 2.639e+00 2.676e-02
Na 2.216e+00 2.248e-02
S 6.806e-01 6.902e-03
----------------------------Description of solution----------------------------
pH = 7.408 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 585693
Density (g/cm3) = 1.25922
Volume (L) = 0.01170
Activity of water = 0.676
Ionic strength = 1.092e+01
Mass of water (kg) = 1.014e-02
Total alkalinity (eq/kg) = 1.738e-02
Total CO2 (mol/kg) = 8.342e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.250e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.46
Iterations = 8
Gamma iterations = 3
Osmotic coefficient = 1.82263
Density of water = 0.99704
Total H = 1.125803e+00
Total O = 5.907647e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 4.132e-06 1.742e-07 -5.384 -6.759 -1.375 9.10
H+ 2.037e-09 3.913e-08 -8.691 -7.408 1.284 0.00
H2O 5.551e+01 6.765e-01 1.744 -0.170 0.000 18.07
Br 4.340e-02
Br- 4.340e-02 5.706e-02 -1.363 -1.244 0.119 27.90
C(4) 8.342e-03
MgCO3 6.424e-03 6.424e-03 -2.192 -2.192 0.000 -17.09
HCO3- 1.222e-03 8.633e-05 -2.913 -4.064 -1.151 47.13
CO3-2 6.939e-04 1.010e-07 -3.159 -6.996 -3.837 14.63
CO2 2.668e-06 1.096e-05 -5.574 -4.960 0.614 30.26
Ca 3.531e-03
Ca+2 3.531e-03 3.885e-02 -2.452 -1.411 1.041 -12.42
Cl 6.088e+00
Cl- 6.088e+00 4.537e+00 0.784 0.657 -0.128 20.69
K 2.307e-01
K+ 2.307e-01 2.701e-01 -0.637 -0.569 0.068 14.25
Mg 2.639e+00
Mg+2 2.630e+00 7.504e+01 0.420 1.875 1.455 -15.67
MgCO3 6.424e-03 6.424e-03 -2.192 -2.192 0.000 -17.09
MgOH+ 1.923e-03 2.014e-03 -2.716 -2.696 0.020 (0)
Na 2.216e+00
Na+ 2.216e+00 8.188e+00 0.346 0.913 0.568 2.70
S(6) 6.806e-01
SO4-2 6.806e-01 1.478e-03 -0.167 -2.830 -2.663 31.21
HSO4- 5.851e-09 5.509e-09 -8.233 -8.259 -0.026 42.42
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.02 -4.24 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -2.19 -3.97 -1.78 K2SO4
Bischofite -2.28 2.17 4.46 MgCl2:6H2O
Bloedite -0.29 -2.64 -2.35 Na2Mg(SO4)2:4H2O
Brucite -0.76 -11.64 -10.88 Mg(OH)2
Burkeite -6.41 -7.18 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -2.07 2.26 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 3.56 -13.53 -17.08 CaMg(CO3)2
Epsomite -0.26 -2.14 -1.88 MgSO4:7H2O
Gaylussite -5.00 -14.42 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.65 -6.45 -3.80 NaK3(SO4)2
Glauberite -0.00 -5.25 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.67 -0.17 1.50 H2O
Halite 0.00 1.57 1.57 NaCl
Hexahydrite -0.34 -1.97 -1.63 MgSO4:6H2O
Kainite -1.18 -1.38 -0.19 KMgClSO4:3H2O
Kalicinite -4.91 -14.97 -10.06 KHCO3
Kieserite -1.00 -1.12 -0.12 MgSO4:H2O
Labile_S -0.92 -6.59 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -0.75 -1.63 -0.89 MgSO4:4H2O
Leonite -1.62 -5.60 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.71 -5.12 -7.83 MgCO3
Mirabilite -1.49 -2.70 -1.21 Na2SO4:10H2O
Misenite -58.00 -68.81 -10.81 K8H6(SO4)7
Nahcolite -2.75 -13.49 -10.74 NaHCO3
Natron -6.04 -6.87 -0.82 Na2CO3:10H2O
Nesquehonite -0.46 -5.63 -5.17 MgCO3:3H2O
Pentahydrite -0.52 -1.80 -1.28 MgSO4:5H2O
Pirssonite -4.68 -13.91 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.74 -14.93 -5.19 Ca(OH)2
Schoenite -1.61 -5.94 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.81 0.09 0.90 KCl
Syngenite -0.93 -8.38 -7.45 K2Ca(SO4)2:H2O
Trona -7.61 -19.00 -11.38 Na3H(CO3)2:2H2O
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 -0.01 -4.23 -4.22 0.000e+00 0 0.000e+00
Bischofite -2.22 2.23 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.575e-07
Calcite 0.00 -8.41 -8.41 3.460e-04 3.391e-04 -6.885e-06
Carnallite -2.04 2.29 4.33 0.000e+00 0 0.000e+00
Epsomite -0.22 -2.10 -1.88 0.000e+00 0 0.000e+00
Glauberite -0.01 -5.26 -5.25 2.896e-04 0 -2.896e-04
Gypsum 0.00 -4.58 -4.58 2.549e-03 2.505e-03 -4.397e-05
Halite 0.00 1.57 1.57 2.313e-01 2.345e-01 3.211e-03
Hexahydrite -0.29 -1.93 -1.63 0.000e+00 0 0.000e+00
Kieserite -0.94 -1.06 -0.12 0.000e+00 0 0.000e+00
Polyhalite 0.00 -13.74 -13.74 1.310e-03 1.483e-03 1.723e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 4.587e-02 4.401e-04
C 9.486e-03 9.102e-05
Ca 3.296e-03 3.162e-05
Cl 6.099e+00 5.853e-02
K 2.079e-01 1.995e-03
Mg 2.771e+00 2.659e-02
Na 2.068e+00 1.984e-02
S 7.123e-01 6.835e-03
----------------------------Description of solution----------------------------
pH = 7.401 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 595226
Density (g/cm3) = 1.26243
Volume (L) = 0.01108
Activity of water = 0.671
Ionic strength = 1.117e+01
Mass of water (kg) = 9.596e-03
Total alkalinity (eq/kg) = 1.981e-02
Total CO2 (mol/kg) = 9.486e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.250e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.52
Iterations = 8
Gamma iterations = 3
Osmotic coefficient = 1.86189
Density of water = 0.99704
Total H = 1.065289e+00
Total O = 5.602634e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 4.488e-06 1.703e-07 -5.348 -6.769 -1.421 9.36
H+ 1.927e-09 3.968e-08 -8.715 -7.401 1.314 0.00
H2O 5.551e+01 6.707e-01 1.744 -0.173 0.000 18.07
Br 4.587e-02
Br- 4.587e-02 6.158e-02 -1.339 -1.211 0.128 27.93
C(4) 9.486e-03
MgCO3 7.371e-03 7.371e-03 -2.132 -2.132 0.000 -17.09
HCO3- 1.295e-03 8.439e-05 -2.888 -4.074 -1.186 47.60
CO3-2 8.171e-04 9.739e-08 -3.088 -7.011 -3.924 14.90
CO2 2.597e-06 1.096e-05 -5.585 -4.960 0.625 30.26
Ca 3.296e-03
Ca+2 3.296e-03 4.029e-02 -2.482 -1.395 1.087 -12.33
Cl 6.099e+00
Cl- 6.099e+00 4.594e+00 0.785 0.662 -0.123 20.71
K 2.079e-01
K+ 2.079e-01 2.502e-01 -0.682 -0.602 0.081 14.36
Mg 2.771e+00
Mg+2 2.761e+00 8.931e+01 0.441 1.951 1.510 -15.57
MgCO3 7.371e-03 7.371e-03 -2.132 -2.132 0.000 -17.09
MgOH+ 2.131e-03 2.344e-03 -2.671 -2.630 0.041 (0)
Na 2.068e+00
Na+ 2.068e+00 8.088e+00 0.316 0.908 0.592 2.76
S(6) 7.123e-01
SO4-2 7.123e-01 1.450e-03 -0.147 -2.839 -2.691 31.40
HSO4- 5.567e-09 5.479e-09 -8.254 -8.261 -0.007 42.44
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.01 -4.23 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -2.27 -4.04 -1.78 K2SO4
Bischofite -2.22 2.23 4.46 MgCl2:6H2O
Bloedite -0.26 -2.60 -2.35 Na2Mg(SO4)2:4H2O
Brucite -0.71 -11.59 -10.88 Mg(OH)2
Burkeite -6.47 -7.24 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -2.04 2.29 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 3.62 -13.47 -17.08 CaMg(CO3)2
Epsomite -0.22 -2.10 -1.88 MgSO4:7H2O
Gaylussite -5.05 -14.47 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.77 -6.57 -3.80 NaK3(SO4)2
Glauberite -0.01 -5.26 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.68 -0.17 1.50 H2O
Halite 0.00 1.57 1.57 NaCl
Hexahydrite -0.29 -1.93 -1.63 MgSO4:6H2O
Kainite -1.15 -1.35 -0.19 KMgClSO4:3H2O
Kalicinite -4.96 -15.01 -10.06 KHCO3
Kieserite -0.94 -1.06 -0.12 MgSO4:H2O
Labile_S -0.95 -6.63 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -0.69 -1.58 -0.89 MgSO4:4H2O
Leonite -1.64 -5.62 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.77 -5.06 -7.83 MgCO3
Mirabilite -1.54 -2.76 -1.21 Na2SO4:10H2O
Misenite -58.29 -69.09 -10.81 K8H6(SO4)7
Nahcolite -2.76 -13.51 -10.74 NaHCO3
Natron -6.11 -6.93 -0.82 Na2CO3:10H2O
Nesquehonite -0.41 -5.58 -5.17 MgCO3:3H2O
Pentahydrite -0.47 -1.76 -1.28 MgSO4:5H2O
Pirssonite -4.71 -13.95 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.74 -14.93 -5.19 Ca(OH)2
Schoenite -1.64 -5.97 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.84 0.06 0.90 KCl
Syngenite -1.00 -8.45 -7.45 K2Ca(SO4)2:H2O
Trona -7.66 -19.05 -11.38 Na3H(CO3)2:2H2O
Reaction step 22.
WARNING: Maximum iterations exceeded, 200
WARNING: Numerical method failed with this set of convergence parameters.
WARNING: Trying smaller step size, pe step size 10, 5 ...
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 -4.22 -4.22 0.000e+00 1.713e-03 1.713e-03
Bischofite -2.15 2.31 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 5.226e-07
Calcite 0.00 -8.41 -8.41 3.391e-04 3.334e-04 -5.702e-06
Carnallite -1.98 2.35 4.33 0.000e+00 0 0.000e+00
Epsomite -0.19 -2.07 -1.88 0.000e+00 0 0.000e+00
Glauberite -0.04 -5.29 -5.25 0.000e+00 0 0.000e+00
Gypsum 0.00 -4.58 -4.58 2.505e-03 5.543e-04 -1.951e-03
Halite 0.00 1.57 1.57 2.345e-01 2.370e-01 2.431e-03
Hexahydrite -0.26 -1.90 -1.63 0.000e+00 0 0.000e+00
Kieserite -0.88 -1.01 -0.12 0.000e+00 0 0.000e+00
Polyhalite 0.00 -13.74 -13.74 1.483e-03 1.606e-03 1.235e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 4.825e-02 4.401e-04
C 1.055e-02 9.620e-05
Ca 3.133e-03 2.857e-05
Cl 6.150e+00 5.609e-02
K 1.916e-01 1.748e-03
Mg 2.901e+00 2.646e-02
Na 1.909e+00 1.741e-02
S 7.214e-01 6.580e-03
----------------------------Description of solution----------------------------
pH = 7.387 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 605485
Density (g/cm3) = 1.26481
Volume (L) = 0.01053
Activity of water = 0.664
Ionic strength = 1.138e+01
Mass of water (kg) = 9.121e-03
Total alkalinity (eq/kg) = 2.209e-02
Total CO2 (mol/kg) = 1.055e-02
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.250e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.59
Iterations = 12
Gamma iterations = 12
Osmotic coefficient = 1.90536
Density of water = 0.99704
Total H = 1.012599e+00
Total O = 5.329111e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 4.792e-06 1.631e-07 -5.319 -6.787 -1.468 9.59
H+ 1.844e-09 4.101e-08 -8.734 -7.387 1.347 0.00
H2O 5.551e+01 6.640e-01 1.744 -0.178 0.000 18.07
Br 4.825e-02
Br- 4.825e-02 6.605e-02 -1.316 -1.180 0.136 27.96
C(4) 1.055e-02
MgCO3 8.269e-03 8.269e-03 -2.083 -2.083 0.000 -17.09
HCO3- 1.345e-03 8.084e-05 -2.871 -4.092 -1.221 48.01
CO3-2 9.309e-04 9.026e-08 -3.031 -7.044 -4.013 15.14
CO2 2.543e-06 1.096e-05 -5.595 -4.960 0.635 30.26
Ca 3.133e-03
Ca+2 3.133e-03 4.348e-02 -2.504 -1.362 1.142 -12.25
Cl 6.150e+00
Cl- 6.150e+00 4.675e+00 0.789 0.670 -0.119 20.73
K 1.916e-01
K+ 1.916e-01 2.382e-01 -0.718 -0.623 0.095 14.45
Mg 2.901e+00
Mg+2 2.891e+00 1.081e+02 0.461 2.034 1.573 -15.48
MgCO3 8.269e-03 8.269e-03 -2.083 -2.083 0.000 -17.09
MgOH+ 2.339e-03 2.718e-03 -2.631 -2.566 0.065 (0)
Na 1.909e+00
Na+ 1.909e+00 7.948e+00 0.281 0.900 0.619 2.81
S(6) 7.214e-01
SO4-2 7.214e-01 1.370e-03 -0.142 -2.863 -2.721 31.56
HSO4- 5.196e-09 5.354e-09 -8.284 -8.271 0.013 42.45
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite 0.00 -4.22 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -2.33 -4.11 -1.78 K2SO4
Bischofite -2.15 2.31 4.46 MgCl2:6H2O
Bloedite -0.26 -2.60 -2.35 Na2Mg(SO4)2:4H2O
Brucite -0.66 -11.54 -10.88 Mg(OH)2
Burkeite -6.60 -7.37 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -1.98 2.35 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 3.67 -13.42 -17.08 CaMg(CO3)2
Epsomite -0.19 -2.07 -1.88 MgSO4:7H2O
Gaylussite -5.12 -14.54 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.89 -6.70 -3.80 NaK3(SO4)2
Glauberite -0.04 -5.29 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.68 -0.18 1.50 H2O
Halite 0.00 1.57 1.57 NaCl
Hexahydrite -0.26 -1.90 -1.63 MgSO4:6H2O
Kainite -1.12 -1.32 -0.19 KMgClSO4:3H2O
Kalicinite -5.00 -15.05 -10.06 KHCO3
Kieserite -0.88 -1.01 -0.12 MgSO4:H2O
Labile_S -1.03 -6.71 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -0.65 -1.54 -0.89 MgSO4:4H2O
Leonite -1.67 -5.65 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.82 -5.01 -7.83 MgCO3
Mirabilite -1.63 -2.84 -1.21 Na2SO4:10H2O
Misenite -58.54 -69.35 -10.81 K8H6(SO4)7
Nahcolite -2.79 -13.53 -10.74 NaHCO3
Natron -6.20 -7.02 -0.82 Na2CO3:10H2O
Nesquehonite -0.38 -5.54 -5.17 MgCO3:3H2O
Pentahydrite -0.43 -1.72 -1.28 MgSO4:5H2O
Pirssonite -4.77 -14.01 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.75 -14.94 -5.19 Ca(OH)2
Schoenite -1.68 -6.01 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.85 0.05 0.90 KCl
Syngenite -1.06 -8.51 -7.45 K2Ca(SO4)2:H2O
Trona -7.75 -19.13 -11.38 Na3H(CO3)2:2H2O
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 -4.22 -4.22 1.713e-03 2.052e-03 3.394e-04
Bischofite -2.06 2.40 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 7.772e-07
Calcite 0.00 -8.41 -8.41 3.334e-04 3.219e-04 -1.151e-05
Carnallite -1.89 2.44 4.33 0.000e+00 0 0.000e+00
Epsomite -0.16 -2.04 -1.88 0.000e+00 0 0.000e+00
Glauberite -0.09 -5.34 -5.25 0.000e+00 0 0.000e+00
Gypsum -0.01 -4.59 -4.58 5.543e-04 0 -5.543e-04
Halite 0.00 1.57 1.57 2.370e-01 2.396e-01 2.619e-03
Hexahydrite -0.22 -1.85 -1.63 0.000e+00 0 0.000e+00
Kieserite -0.81 -0.94 -0.12 0.000e+00 0 0.000e+00
Polyhalite 0.00 -13.74 -13.74 1.606e-03 1.721e-03 1.152e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 5.120e-02 4.401e-04
C 1.244e-02 1.069e-04
Ca 2.841e-03 2.442e-05
Cl 6.221e+00 5.348e-02
K 1.765e-01 1.517e-03
Mg 3.065e+00 2.635e-02
Na 1.721e+00 1.479e-02
S 7.367e-01 6.333e-03
----------------------------Description of solution----------------------------
pH = 7.376 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 620182
Density (g/cm3) = 1.26828
Volume (L) = 0.00993
Activity of water = 0.655
Ionic strength = 1.167e+01
Mass of water (kg) = 8.597e-03
Total alkalinity (eq/kg) = 2.611e-02
Total CO2 (mol/kg) = 1.244e-02
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.250e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.66
Iterations = 8
Gamma iterations = 3
Osmotic coefficient = 1.96085
Density of water = 0.99704
Total H = 9.543554e-01
Total O = 5.028376e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 5.262e-06 1.567e-07 -5.279 -6.805 -1.526 9.89
H+ 1.708e-09 4.211e-08 -8.767 -7.376 1.392 0.00
H2O 5.551e+01 6.550e-01 1.744 -0.184 0.000 18.07
Br 5.120e-02
Br- 5.120e-02 7.185e-02 -1.291 -1.144 0.147 28.00
C(4) 1.244e-02
MgCO3 9.875e-03 9.875e-03 -2.005 -2.005 0.000 -17.09
HCO3- 1.440e-03 7.767e-05 -2.842 -4.110 -1.268 48.57
CO3-2 1.123e-03 8.445e-08 -2.950 -7.073 -4.124 15.46
CO2 2.469e-06 1.096e-05 -5.608 -4.960 0.647 30.26
Ca 2.841e-03
Ca+2 2.841e-03 4.647e-02 -2.547 -1.333 1.214 -12.14
Cl 6.221e+00
Cl- 6.221e+00 4.787e+00 0.794 0.680 -0.114 20.76
K 1.765e-01
K+ 1.765e-01 2.284e-01 -0.753 -0.641 0.112 14.57
Mg 3.065e+00
Mg+2 3.053e+00 1.380e+02 0.485 2.140 1.655 -15.35
MgCO3 9.875e-03 9.875e-03 -2.005 -2.005 0.000 -17.09
MgOH+ 2.675e-03 3.332e-03 -2.573 -2.477 0.095 (0)
Na 1.721e+00
Na+ 1.721e+00 7.762e+00 0.236 0.890 0.654 2.88
S(6) 7.367e-01
SO4-2 7.367e-01 1.282e-03 -0.133 -2.892 -2.759 31.77
HSO4- 4.725e-09 5.143e-09 -8.326 -8.289 0.037 42.47
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite 0.00 -4.22 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -2.40 -4.17 -1.78 K2SO4
Bischofite -2.06 2.40 4.46 MgCl2:6H2O
Bloedite -0.25 -2.60 -2.35 Na2Mg(SO4)2:4H2O
Brucite -0.59 -11.47 -10.88 Mg(OH)2
Burkeite -6.75 -7.52 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -1.89 2.44 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 3.74 -13.34 -17.08 CaMg(CO3)2
Epsomite -0.16 -2.04 -1.88 MgSO4:7H2O
Gaylussite -5.20 -14.62 -9.42 CaNa2(CO3)2:5H2O
Glaserite -3.01 -6.82 -3.80 NaK3(SO4)2
Glauberite -0.09 -5.34 -5.25 Na2Ca(SO4)2
Gypsum -0.01 -4.59 -4.58 CaSO4:2H2O
H2O(g) -1.69 -0.18 1.50 H2O
Halite 0.00 1.57 1.57 NaCl
Hexahydrite -0.22 -1.85 -1.63 MgSO4:6H2O
Kainite -1.07 -1.26 -0.19 KMgClSO4:3H2O
Kalicinite -5.03 -15.09 -10.06 KHCO3
Kieserite -0.81 -0.94 -0.12 MgSO4:H2O
Labile_S -1.14 -6.82 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -0.60 -1.49 -0.89 MgSO4:4H2O
Leonite -1.68 -5.66 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.90 -4.93 -7.83 MgCO3
Mirabilite -1.74 -2.95 -1.21 Na2SO4:10H2O
Misenite -58.82 -69.63 -10.81 K8H6(SO4)7
Nahcolite -2.82 -13.56 -10.74 NaHCO3
Natron -6.31 -7.13 -0.82 Na2CO3:10H2O
Nesquehonite -0.32 -5.48 -5.17 MgCO3:3H2O
Pentahydrite -0.39 -1.67 -1.28 MgSO4:5H2O
Pirssonite -4.83 -14.07 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.75 -14.94 -5.19 Ca(OH)2
Schoenite -1.70 -6.03 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.86 0.04 0.90 KCl
Syngenite -1.14 -8.58 -7.45 K2Ca(SO4)2:H2O
Trona -7.84 -19.22 -11.38 Na3H(CO3)2:2H2O
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 2.
------------------------------------
------------------------------
End of Run after 0.52 Seconds.
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