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iphreeqc/ex17b.out
Scott R Charlton 16342e4815 merged in http://internalbrr.cr.usgs.gov/svn_GW/phreeqcpp/branches/ErrorHandling 6269-6445 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6446 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-04-11 02:21:16 +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.
------------------------------------
DATABASE ../database/pitzer.dat
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 8.427e-04 8.427e-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) = 31361
Density (g/cm3) = 1.01091
Activity of water = 0.990
Ionic strength = 3.752e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 8.703e-04
Total CO2 (mol/kg) = 8.427e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.248e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.34
Iterations = 9
Gamma iterations = 3
Osmotic coefficient = 0.89852
Density of water = 0.99706
Total H = 1.110132e+02
Total O = 5.556982e+01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.658e-06 9.949e-07 -5.780 -6.002 -0.222 -3.89
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 24.86
C(4) 8.427e-04
HCO3- 7.975e-04 4.902e-04 -3.098 -3.310 -0.211 26.06
CO3-2 1.598e-05 2.244e-06 -4.796 -5.649 -0.853 -1.49
MgCO3 1.429e-05 1.429e-05 -4.845 -4.845 0.000 25.00
CO2 1.020e-05 1.077e-05 -4.991 -4.968 0.023 24.85
CaCO3 4.680e-06 4.680e-06 -5.330 -5.330 0.000 25.00
Ca 5.841e-03
Ca+2 5.837e-03 1.472e-03 -2.234 -2.832 -0.598 -17.14
CaCO3 4.680e-06 4.680e-06 -5.330 -5.330 0.000 25.00
Cl 2.930e-01
Cl- 2.930e-01 1.960e-01 -0.533 -0.708 -0.175 18.63
K 4.960e-03
K+ 4.960e-03 3.418e-03 -2.305 -2.466 -0.162 9.40
Mg 2.807e-02
Mg+2 2.805e-02 7.511e-03 -1.552 -2.124 -0.572 -20.48
MgCO3 1.429e-05 1.429e-05 -4.845 -4.845 0.000 25.00
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 -0.94
S(6) 1.527e-02
SO4-2 1.527e-02 2.118e-03 -1.816 -2.674 -0.858 17.54
HSO4- 2.952e-09 2.017e-09 -8.530 -8.695 -0.165 (0)
------------------------------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 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 0.83 -16.25 -17.08 CaMg(CO3)2
Epsomite -2.95 -4.83 -1.88 MgSO4:7H2O
Gaylussite -6.20 -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 -6.06 -16.12 -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 -14.39 -10.74 NaHCO3
Natron -6.34 -7.16 -0.82 Na2CO3:10H2O
Nesquehonite -2.62 -7.79 -5.17 MgCO3:3H2O
Pentahydrite -3.53 -4.82 -1.28 MgSO4:5H2O
Pirssonite -6.38 -15.61 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -9.68 -23.43 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.65 -14.84 -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 -10.13 -21.52 -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 -4.97 -1.47 1.000e+01 1.000e+01 1.794e-13
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 8.427e-04 8.427e-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) = 31361
Density (g/cm3) = 1.01091
Activity of water = 0.990
Ionic strength = 3.752e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 8.703e-04
Total CO2 (mol/kg) = 8.427e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.248e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.34
Iterations = 13
Gamma iterations = 5
Osmotic coefficient = 0.89852
Density of water = 0.99706
Total H = 1.110132e+02
Total O = 5.556982e+01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.658e-06 9.949e-07 -5.780 -6.002 -0.222 -3.89
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 24.86
C(4) 8.427e-04
HCO3- 7.975e-04 4.902e-04 -3.098 -3.310 -0.211 26.06
CO3-2 1.598e-05 2.244e-06 -4.796 -5.649 -0.853 -1.49
MgCO3 1.429e-05 1.429e-05 -4.845 -4.845 0.000 25.00
CO2 1.020e-05 1.077e-05 -4.991 -4.968 0.023 24.85
CaCO3 4.680e-06 4.680e-06 -5.330 -5.330 0.000 25.00
Ca 5.841e-03
Ca+2 5.837e-03 1.472e-03 -2.234 -2.832 -0.598 -17.14
CaCO3 4.680e-06 4.680e-06 -5.330 -5.330 0.000 25.00
Cl 2.930e-01
Cl- 2.930e-01 1.960e-01 -0.533 -0.708 -0.175 18.63
K 4.960e-03
K+ 4.960e-03 3.418e-03 -2.305 -2.466 -0.162 9.40
Mg 2.807e-02
Mg+2 2.805e-02 7.511e-03 -1.552 -2.124 -0.572 -20.48
MgCO3 1.429e-05 1.429e-05 -4.845 -4.845 0.000 25.00
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 -0.94
S(6) 1.527e-02
SO4-2 1.527e-02 2.118e-03 -1.816 -2.674 -0.858 17.54
HSO4- 2.952e-09 2.017e-09 -8.530 -8.695 -0.165 (0)
------------------------------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 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 0.83 -16.25 -17.08 CaMg(CO3)2
Epsomite -2.95 -4.83 -1.88 MgSO4:7H2O
Gaylussite -6.20 -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 -6.06 -16.12 -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 -14.39 -10.74 NaHCO3
Natron -6.34 -7.16 -0.82 Na2CO3:10H2O
Nesquehonite -2.62 -7.79 -5.17 MgCO3:3H2O
Pentahydrite -3.53 -4.82 -1.28 MgSO4:5H2O
Pirssonite -6.38 -15.61 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -9.68 -23.43 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.65 -14.84 -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 -10.13 -21.52 -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 -4.97 -1.47 1.000e+01 1.000e+01 2.873e-04
Calcite 0.00 -8.41 -8.41 0.000e+00 3.015e-04 3.015e-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 7.223e-04 2.538e-04
Ca 1.576e-02 5.540e-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 = 7.846 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 70310
Density (g/cm3) = 1.03535
Activity of water = 0.972
Ionic strength = 1.065e+00
Mass of water (kg) = 3.514e-01
Total alkalinity (eq/kg) = 7.605e-04
Total CO2 (mol/kg) = 7.223e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.248e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35
Iterations = 20
Gamma iterations = 5
Osmotic coefficient = 0.91486
Density of water = 0.99706
Total H = 3.901323e+01
Total O = 1.956834e+01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.460e-06 6.853e-07 -5.836 -6.164 -0.328 -3.51
H+ 1.627e-08 1.425e-08 -7.789 -7.846 -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 24.47
C(4) 7.223e-04
HCO3- 6.692e-04 3.377e-04 -3.174 -3.472 -0.297 27.55
CO3-2 1.928e-05 1.085e-06 -4.715 -5.965 -1.250 0.36
MgCO3 1.899e-05 1.899e-05 -4.721 -4.721 0.000 25.00
CO2 9.251e-06 1.077e-05 -5.034 -4.968 0.066 24.85
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
Ca 1.576e-02
Ca+2 1.576e-02 3.618e-03 -1.803 -2.442 -0.639 -16.55
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
Cl 8.339e-01
Cl- 8.339e-01 4.997e-01 -0.079 -0.301 -0.222 18.99
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 -19.91
MgCO3 1.899e-05 1.899e-05 -4.721 -4.721 0.000 25.00
MgOH+ 2.219e-06 2.188e-06 -5.654 -5.660 -0.006 (0)
Na 7.238e-01
Na+ 7.238e-01 5.131e-01 -0.140 -0.290 -0.149 -0.49
S(6) 4.345e-02
SO4-2 4.345e-02 2.722e-03 -1.362 -2.565 -1.203 19.41
HSO4- 6.053e-09 3.695e-09 -8.218 -8.432 -0.214 (0)
------------------------------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 -4.97 -1.47 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 -70.62 -81.42 -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 -9.29 -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 -4.97 -1.47 1.000e+01 1.000e+01 3.231e-05
Calcite 0.00 -8.41 -8.41 3.015e-04 3.363e-04 3.478e-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 6.684e-04 1.867e-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 = 7.792 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 82662
Density (g/cm3) = 1.04475
Activity of water = 0.965
Ionic strength = 1.339e+00
Mass of water (kg) = 2.794e-01
Total alkalinity (eq/kg) = 7.077e-04
Total CO2 (mol/kg) = 6.684e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.248e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35
Iterations = 15
Gamma iterations = 5
Osmotic coefficient = 0.92627
Density of water = 0.99706
Total H = 3.101323e+01
Total O = 1.556817e+01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.366e-06 5.999e-07 -5.864 -6.222 -0.358 -3.39
H+ 1.721e-08 1.616e-08 -7.764 -7.792 -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 24.28
C(4) 6.684e-04
HCO3- 6.153e-04 2.956e-04 -3.211 -3.529 -0.318 28.10
MgCO3 1.953e-05 1.953e-05 -4.709 -4.709 0.000 25.00
CO3-2 1.915e-05 8.377e-07 -4.718 -6.077 -1.359 0.94
CO2 8.898e-06 1.077e-05 -5.051 -4.968 0.083 24.85
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
Ca 1.970e-02
Ca+2 1.970e-02 4.685e-03 -1.706 -2.329 -0.624 -16.37
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
Cl 1.049e+00
Cl- 1.049e+00 6.161e-01 0.021 -0.210 -0.231 19.09
K 1.775e-02
K+ 1.775e-02 1.112e-02 -1.751 -1.954 -0.203 10.04
Mg 1.005e-01
Mg+2 1.005e-01 2.751e-02 -0.998 -1.561 -0.563 -19.74
MgCO3 1.953e-05 1.953e-05 -4.709 -4.709 0.000 25.00
MgOH+ 2.590e-06 2.550e-06 -5.587 -5.593 -0.007 (0)
Na 9.105e-01
Na+ 9.105e-01 6.539e-01 -0.041 -0.185 -0.144 -0.35
S(6) 5.466e-02
SO4-2 5.466e-02 2.769e-03 -1.262 -2.558 -1.295 20.00
HSO4- 7.171e-09 4.262e-09 -8.144 -8.370 -0.226 (0)
------------------------------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 -3.12 -14.00 -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 -4.97 -1.47 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 -69.48 -80.29 -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 -9.15 -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 -4.97 -1.47 1.000e+01 1.000e+01 3.085e-05
Calcite 0.00 -8.41 -8.41 3.363e-04 3.697e-04 3.340e-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 5.909e-04 1.225e-04
Ca 2.639e-02 5.471e-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 = 7.709 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 102616
Density (g/cm3) = 1.06031
Activity of water = 0.952
Ionic strength = 1.805e+00
Mass of water (kg) = 2.073e-01
Total alkalinity (eq/kg) = 6.315e-04
Total CO2 (mol/kg) = 5.909e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.248e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35
Iterations = 16
Gamma iterations = 5
Osmotic coefficient = 0.94891
Density of water = 0.99706
Total H = 2.301323e+01
Total O = 1.156801e+01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.229e-06 4.896e-07 -5.911 -6.310 -0.400 -3.22
H+ 1.826e-08 1.953e-08 -7.738 -7.709 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 23.94
C(4) 5.909e-04
HCO3- 5.381e-04 2.412e-04 -3.269 -3.618 -0.348 29.02
MgCO3 2.036e-05 2.036e-05 -4.691 -4.691 0.000 25.00
CO3-2 1.854e-05 5.657e-07 -4.732 -6.247 -1.516 1.82
CO2 8.332e-06 1.077e-05 -5.079 -4.968 0.111 24.85
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
Ca 2.639e-02
Ca+2 2.639e-02 6.937e-03 -1.579 -2.159 -0.580 -16.10
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
Cl 1.414e+00
Cl- 1.414e+00 8.132e-01 0.150 -0.090 -0.240 19.24
K 2.393e-02
K+ 2.393e-02 1.487e-02 -1.621 -1.828 -0.207 10.28
Mg 1.354e-01
Mg+2 1.354e-01 4.247e-02 -0.868 -1.372 -0.504 -19.48
MgCO3 2.036e-05 2.036e-05 -4.691 -4.691 0.000 25.00
MgOH+ 3.324e-06 3.213e-06 -5.478 -5.493 -0.015 (0)
Na 1.227e+00
Na+ 1.227e+00 9.120e-01 0.089 -0.040 -0.129 -0.13
S(6) 7.366e-02
SO4-2 7.366e-02 2.760e-03 -1.133 -2.559 -1.426 20.91
HSO4- 8.960e-09 5.133e-09 -8.048 -8.290 -0.242 (0)
------------------------------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 -4.97 -1.47 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 -5.73 -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 -67.99 -78.79 -10.81 K8H6(SO4)7
Nahcolite -3.25 -14.00 -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 -4.97 -1.47 1.000e+01 1.000e+01 2.622e-05
Calcite 0.00 -8.41 -8.41 3.697e-04 3.977e-04 2.803e-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 -6.73 -5.25 0.000e+00 0 0.000e+00
Gypsum 0.00 -4.58 -4.58 0.000e+00 7.529e-04 7.529e-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 5.047e-04 6.824e-05
Ca 3.469e-02 4.691e-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 = 7.590 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 148314
Density (g/cm3) = 1.09043
Activity of water = 0.923
Ionic strength = 2.744e+00
Mass of water (kg) = 1.352e-01
Total alkalinity (eq/kg) = 5.536e-04
Total CO2 (mol/kg) = 5.047e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.248e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35
Iterations = 18
Gamma iterations = 5
Osmotic coefficient = 1.00525
Density of water = 0.99706
Total H = 1.501022e+01
Total O = 7.563357e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.054e-06 3.603e-07 -5.977 -6.443 -0.466 -2.93
H+ 1.781e-08 2.573e-08 -7.749 -7.590 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 23.18
C(4) 5.047e-04
HCO3- 4.480e-04 1.775e-04 -3.349 -3.751 -0.402 30.80
MgCO3 2.549e-05 2.549e-05 -4.594 -4.594 0.000 25.00
CO3-2 1.837e-05 3.160e-07 -4.736 -6.500 -1.764 3.38
CO2 7.300e-06 1.077e-05 -5.137 -4.968 0.169 24.85
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
Ca 3.469e-02
Ca+2 3.469e-02 1.242e-02 -1.460 -1.906 -0.446 -15.61
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
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 10.71
Mg 2.076e-01
Mg+2 2.076e-01 9.521e-02 -0.683 -1.021 -0.338 -19.02
MgCO3 2.549e-05 2.549e-05 -4.594 -4.594 0.000 25.00
MgOH+ 5.834e-06 5.301e-06 -5.234 -5.276 -0.042 (0)
Na 1.881e+00
Na+ 1.881e+00 1.550e+00 0.274 0.190 -0.084 0.25
S(6) 1.074e-01
SO4-2 1.074e-01 2.484e-03 -0.969 -2.605 -1.636 22.51
HSO4- 1.125e-08 6.089e-09 -7.949 -8.215 -0.267 (0)
------------------------------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 -4.97 -1.47 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 -6.73 -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 -15.73 -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 -66.05 -76.86 -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 -8.71 -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 -4.97 -1.47 1.000e+01 1.000e+01 4.532e-06
Calcite 0.00 -8.41 -8.41 3.977e-04 4.019e-04 4.198e-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 7.529e-04 1.573e-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 5.079e-04 5.951e-05
Ca 3.300e-02 3.866e-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 = 7.568 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 174021
Density (g/cm3) = 1.10259
Activity of water = 0.909
Ionic strength = 3.138e+00
Mass of water (kg) = 1.172e-01
Total alkalinity (eq/kg) = 5.673e-04
Total CO2 (mol/kg) = 5.079e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.248e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35
Iterations = 16
Gamma iterations = 5
Osmotic coefficient = 1.03297
Density of water = 0.99706
Total H = 1.300694e+01
Total O = 6.558413e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.039e-06 3.375e-07 -5.983 -6.472 -0.488 -2.82
H+ 1.625e-08 2.707e-08 -7.789 -7.568 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 22.84
C(4) 5.079e-04
HCO3- 4.436e-04 1.663e-04 -3.353 -3.779 -0.426 31.54
MgCO3 3.187e-05 3.187e-05 -4.497 -4.497 0.000 25.00
CO3-2 1.995e-05 2.813e-07 -4.700 -6.551 -1.851 3.98
CO2 6.906e-06 1.077e-05 -5.161 -4.968 0.193 24.85
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
Ca 3.300e-02
Ca+2 3.299e-02 1.395e-02 -1.482 -1.855 -0.374 -15.42
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
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 2.712e-02 -1.373 -1.567 -0.193 10.88
Mg 2.396e-01
Mg+2 2.395e-01 1.337e-01 -0.621 -0.874 -0.253 -18.85
MgCO3 3.187e-05 3.187e-05 -4.497 -4.497 0.000 25.00
MgOH+ 7.881e-06 6.973e-06 -5.103 -5.157 -0.053 (0)
Na 2.171e+00
Na+ 2.171e+00 1.889e+00 0.337 0.276 -0.060 0.40
S(6) 1.169e-01
SO4-2 1.169e-01 2.278e-03 -0.932 -2.643 -1.710 23.12
HSO4- 1.109e-08 5.873e-09 -7.955 -8.231 -0.276 (0)
------------------------------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 -4.97 -1.47 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 -15.69 -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 -65.63 -76.44 -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 -0.26 -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 -4.97 -1.47 1.000e+01 1.000e+01 4.516e-06
Calcite 0.00 -8.41 -8.41 4.019e-04 4.058e-04 3.863e-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 1.573e-03 2.446e-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 5.158e-04 5.113e-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 = 7.539 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 218830
Density (g/cm3) = 1.11865
Activity of water = 0.890
Ionic strength = 3.674e+00
Mass of water (kg) = 9.912e-02
Total alkalinity (eq/kg) = 5.926e-04
Total CO2 (mol/kg) = 5.158e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.248e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35
Iterations = 17
Gamma iterations = 5
Osmotic coefficient = 1.07237
Density of water = 0.99706
Total H = 1.100345e+01
Total O = 5.553156e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.016e-06 3.092e-07 -5.993 -6.510 -0.517 -2.69
H+ 1.423e-08 2.892e-08 -7.847 -7.539 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 22.38
C(4) 5.158e-04
HCO3- 4.391e-04 1.523e-04 -3.357 -3.817 -0.460 32.53
MgCO3 4.297e-05 4.297e-05 -4.367 -4.367 0.000 25.00
CO3-2 2.185e-05 2.412e-07 -4.661 -6.618 -1.957 4.74
CO2 6.405e-06 1.077e-05 -5.193 -4.968 0.226 24.85
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
Ca 3.016e-02
Ca+2 3.015e-02 1.627e-02 -1.521 -1.789 -0.268 -15.18
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
Cl 2.957e+00
Cl- 2.957e+00 1.693e+00 0.471 0.229 -0.242 19.70
K 5.004e-02
K+ 5.004e-02 3.292e-02 -1.301 -1.483 -0.182 11.09
Mg 2.832e-01
Mg+2 2.831e-01 2.102e-01 -0.548 -0.677 -0.129 -18.61
MgCO3 4.297e-05 4.297e-05 -4.367 -4.367 0.000 25.00
MgOH+ 1.181e-05 1.005e-05 -4.928 -4.998 -0.070 (0)
Na 2.566e+00
Na+ 2.566e+00 2.421e+00 0.409 0.384 -0.025 0.60
S(6) 1.294e-01
SO4-2 1.294e-01 2.037e-03 -0.888 -2.691 -1.803 23.91
HSO4- 1.089e-08 5.614e-09 -7.963 -8.251 -0.288 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.26 -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 -4.97 -1.47 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 -65.12 -75.93 -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 -4.97 -1.47 1.000e+01 1.000e+01 4.484e-06
Calcite 0.00 -8.41 -8.41 4.058e-04 4.088e-04 3.026e-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 2.446e-03 3.360e-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 5.380e-04 4.362e-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 = 7.500 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 286245
Density (g/cm3) = 1.14087
Activity of water = 0.861
Ionic strength = 4.447e+00
Mass of water (kg) = 8.107e-02
Total alkalinity (eq/kg) = 6.499e-04
Total CO2 (mol/kg) = 5.380e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.248e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35
Iterations = 17
Gamma iterations = 5
Osmotic coefficient = 1.13202
Density of water = 0.99706
Total H = 8.999793e+00
Total O = 4.547653e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 9.794e-07 2.732e-07 -6.009 -6.563 -0.554 -2.51
H+ 1.158e-08 3.166e-08 -7.936 -7.500 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 21.70
C(4) 5.380e-04
HCO3- 4.367e-04 1.346e-04 -3.360 -3.871 -0.511 33.93
MgCO3 6.591e-05 6.591e-05 -4.181 -4.181 0.000 25.00
CO3-2 2.411e-05 1.947e-07 -4.618 -6.711 -2.093 5.78
CO2 5.749e-06 1.077e-05 -5.240 -4.968 0.272 24.85
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
Ca 2.556e-02
Ca+2 2.556e-02 2.016e-02 -1.593 -1.696 -0.103 -14.83
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
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 11.39
Mg 3.462e-01
Mg+2 3.462e-01 3.995e-01 -0.461 -0.399 0.062 -18.29
MgCO3 6.591e-05 6.591e-05 -4.181 -4.181 0.000 25.00
MgOH+ 2.105e-05 1.687e-05 -4.677 -4.773 -0.096 (0)
Na 3.138e+00
Na+ 3.138e+00 3.366e+00 0.497 0.527 0.031 0.86
S(6) 1.469e-01
SO4-2 1.469e-01 1.758e-03 -0.833 -2.755 -1.922 24.98
HSO4- 1.068e-08 5.303e-09 -7.971 -8.275 -0.304 (0)
------------------------------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 -4.97 -1.47 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 -15.59 -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 -64.48 -75.28 -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 -8.09 -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 -0.18 -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 -4.97 -1.47 1.000e+01 1.000e+01 4.585e-06
Calcite 0.00 -8.41 -8.41 4.088e-04 4.092e-04 4.426e-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 3.360e-03 4.267e-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 6.124e-04 3.859e-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 = 7.443 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 360816
Density (g/cm3) = 1.17367
Activity of water = 0.812
Ionic strength = 5.663e+00
Mass of water (kg) = 6.302e-02
Total alkalinity (eq/kg) = 8.220e-04
Total CO2 (mol/kg) = 6.124e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.248e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.36
Iterations = 21
Gamma iterations = 6
Osmotic coefficient = 1.23104
Density of water = 0.99706
Total H = 6.996168e+00
Total O = 3.542204e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 9.216e-07 2.260e-07 -6.035 -6.646 -0.611 -2.26
H+ 8.155e-09 3.609e-08 -8.089 -7.443 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 20.59
C(4) 6.124e-04
HCO3- 4.457e-04 1.113e-04 -3.351 -3.953 -0.602 36.12
MgCO3 1.296e-04 1.296e-04 -3.887 -3.887 0.000 25.00
CO3-2 2.663e-05 1.413e-07 -4.575 -6.850 -2.275 7.30
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
CO2 4.853e-06 1.077e-05 -5.314 -4.968 0.346 24.85
Ca 1.849e-02
Ca+2 1.849e-02 2.778e-02 -1.733 -1.556 0.177 -14.32
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
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 11.83
Mg 4.454e-01
Mg+2 4.452e-01 1.083e+00 -0.351 0.035 0.386 -17.80
MgCO3 1.296e-04 1.296e-04 -3.887 -3.887 0.000 25.00
MgOH+ 5.175e-05 3.781e-05 -4.286 -4.422 -0.136 (0)
Na 4.036e+00
Na+ 4.036e+00 5.414e+00 0.606 0.734 0.128 1.26
S(6) 1.746e-01
SO4-2 1.746e-01 1.436e-03 -0.758 -2.843 -2.085 26.56
HSO4- 1.056e-08 4.935e-09 -7.976 -8.307 -0.330 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.18 -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 -4.97 -1.47 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 -63.58 -74.39 -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 -0.10 -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 -4.97 -1.47 1.000e+01 1.000e+01 5.363e-06
Calcite 0.00 -8.41 -8.41 4.092e-04 4.012e-04 -8.059e-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 4.267e-03 4.966e-03 6.989e-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 9.179e-04 4.129e-05
Ca 1.055e-02 4.745e-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 1.031e-02
----------------------------Description of solution----------------------------
pH = 7.386 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 467460
Density (g/cm3) = 1.21433
Activity of water = 0.741
Ionic strength = 7.354e+00
Mass of water (kg) = 4.498e-02
Total alkalinity (eq/kg) = 1.510e-03
Total CO2 (mol/kg) = 9.179e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.248e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.39
Iterations = 21
Gamma iterations = 6
Osmotic coefficient = 1.37578
Density of water = 0.99706
Total H = 4.993372e+00
Total O = 2.538024e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 9.026e-07 1.809e-07 -6.045 -6.743 -0.698 -1.95
H+ 4.791e-09 4.113e-08 -8.320 -7.386 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 19.01
C(4) 9.179e-04
HCO3- 5.062e-04 8.911e-05 -3.296 -4.050 -0.754 39.13
MgCO3 3.705e-04 3.705e-04 -3.431 -3.431 0.000 25.00
CO3-2 3.187e-05 9.919e-08 -4.497 -7.004 -2.507 9.26
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
CO2 3.858e-06 1.077e-05 -5.414 -4.968 0.446 24.85
Ca 1.055e-02
Ca+2 1.054e-02 3.956e-02 -1.977 -1.403 0.574 -13.62
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
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 12.41
Mg 6.241e-01
Mg+2 6.235e-01 4.407e+00 -0.205 0.644 0.849 -17.15
MgCO3 3.705e-04 3.705e-04 -3.431 -3.431 0.000 25.00
MgOH+ 1.872e-04 1.232e-04 -3.728 -3.910 -0.182 (0)
Na 5.138e+00
Na+ 5.138e+00 9.646e+00 0.711 0.984 0.274 1.78
S(6) 2.291e-01
SO4-2 2.291e-01 1.211e-03 -0.640 -2.917 -2.277 28.59
HSO4- 1.088e-08 4.745e-09 -7.963 -8.324 -0.360 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.10 -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 -4.97 -1.47 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 -5.36 -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 -62.13 -72.93 -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 -7.32 -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 -4.97 -1.47 1.000e+01 1.000e+01 4.264e-06
Calcite -0.00 -8.41 -8.41 4.012e-04 3.979e-04 -3.316e-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 -5.24 -5.25 0.000e+00 2.034e-03 2.034e-03
Gypsum 0.00 -4.58 -4.58 4.966e-03 3.180e-03 -1.785e-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 1.492e-03 4.034e-05
Ca 8.452e-03 2.284e-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 = 7.402 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 485120
Density (g/cm3) = 1.22168
Activity of water = 0.731
Ionic strength = 8.015e+00
Mass of water (kg) = 2.703e-02
Total alkalinity (eq/kg) = 2.758e-03
Total CO2 (mol/kg) = 1.492e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.248e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.62
Iterations = 21
Gamma iterations = 6
Osmotic coefficient = 1.45090
Density of water = 0.99706
Total H = 3.000512e+00
Total O = 1.532460e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.277e-06 1.851e-07 -5.894 -6.733 -0.839 -1.84
H+ 4.065e-09 3.966e-08 -8.391 -7.402 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 18.38
C(4) 1.492e-03
MgCO3 8.205e-04 8.205e-04 -3.086 -3.086 0.000 25.00
HCO3- 5.973e-04 9.120e-05 -3.224 -4.040 -0.816 40.29
CO3-2 6.550e-05 1.053e-07 -4.184 -6.978 -2.794 9.97
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
CO2 3.646e-06 1.077e-05 -5.438 -4.968 0.470 24.85
Ca 8.452e-03
Ca+2 8.446e-03 3.727e-02 -2.073 -1.429 0.645 -13.36
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
Cl 6.020e+00
Cl- 6.020e+00 3.970e+00 0.780 0.599 -0.181 20.36
K 1.835e-01
K+ 1.835e-01 1.655e-01 -0.736 -0.781 -0.045 12.62
Mg 1.039e+00
Mg+2 1.037e+00 9.196e+00 0.016 0.964 0.948 -16.91
MgCO3 8.205e-04 8.205e-04 -3.086 -3.086 0.000 25.00
MgOH+ 3.766e-04 2.630e-04 -3.424 -3.580 -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 29.33
HSO4- 9.610e-09 4.988e-09 -8.017 -8.302 -0.285 (0)
------------------------------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 -4.97 -1.47 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 -5.24 -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 -60.01 -70.81 -10.81 K8H6(SO4)7
Nahcolite -2.67 -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 -9.70 -14.89 -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 -18.72 -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 -4.97 -1.47 1.000e+01 1.000e+01 1.287e-06
Calcite 0.00 -8.41 -8.41 3.979e-04 3.949e-04 -2.953e-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 -5.24 -5.25 2.034e-03 2.552e-03 5.173e-04
Gypsum -0.00 -4.58 -4.58 3.180e-03 2.722e-03 -4.586e-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 1.864e-03 4.201e-05
Ca 7.661e-03 1.727e-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 7.446e-03
----------------------------Description of solution----------------------------
pH = 7.404 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 495831
Density (g/cm3) = 1.22556
Activity of water = 0.725
Ionic strength = 8.353e+00
Mass of water (kg) = 2.254e-02
Total alkalinity (eq/kg) = 3.569e-03
Total CO2 (mol/kg) = 1.864e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.248e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.74
Iterations = 20
Gamma iterations = 6
Osmotic coefficient = 1.49143
Density of water = 0.99706
Total H = 2.502347e+00
Total O = 1.281080e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.495e-06 1.847e-07 -5.825 -6.733 -0.908 -1.79
H+ 3.760e-09 3.943e-08 -8.425 -7.404 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 18.06
C(4) 1.864e-03
MgCO3 1.120e-03 1.120e-03 -2.951 -2.951 0.000 25.00
HCO3- 6.442e-04 9.102e-05 -3.191 -4.041 -0.850 40.88
CO3-2 9.058e-05 1.057e-07 -4.043 -6.976 -2.933 10.34
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
CO2 3.539e-06 1.077e-05 -5.451 -4.968 0.483 24.85
Ca 7.661e-03
Ca+2 7.656e-03 3.713e-02 -2.116 -1.430 0.686 -13.23
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
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 12.73
Mg 1.245e+00
Mg+2 1.244e+00 1.250e+01 0.095 1.097 1.002 -16.78
MgCO3 1.120e-03 1.120e-03 -2.951 -2.951 0.000 25.00
MgOH+ 4.921e-04 3.569e-04 -3.308 -3.447 -0.140 (0)
Na 4.098e+00
Na+ 4.098e+00 9.198e+00 0.613 0.964 0.351 2.07
S(6) 3.303e-01
SO4-2 3.303e-01 1.346e-03 -0.481 -2.871 -2.390 29.71
HSO4- 8.951e-09 5.055e-09 -8.048 -8.296 -0.248 (0)
------------------------------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 -4.97 -1.47 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 -5.24 -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 -59.23 -70.04 -10.81 K8H6(SO4)7
Nahcolite -2.67 -13.42 -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 -4.97 -1.47 1.000e+01 1.000e+01 1.507e-06
Calcite 0.00 -8.41 -8.41 3.949e-04 3.885e-04 -6.451e-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 2.552e-03 2.909e-03 3.576e-04
Gypsum -0.00 -4.58 -4.58 2.722e-03 2.425e-03 -2.965e-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 2.601e-03 4.695e-05
Ca 6.544e-03 1.181e-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 3.894e-01 7.027e-03
----------------------------Description of solution----------------------------
pH = 7.408 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 515132
Density (g/cm3) = 1.23219
Activity of water = 0.716
Ionic strength = 8.890e+00
Mass of water (kg) = 1.805e-02
Total alkalinity (eq/kg) = 5.173e-03
Total CO2 (mol/kg) = 2.601e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.248e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.90
Iterations = 20
Gamma iterations = 6
Osmotic coefficient = 1.55543
Density of water = 0.99706
Total H = 2.003533e+00
Total O = 1.030015e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.885e-06 1.839e-07 -5.725 -6.735 -1.011 -1.71
H+ 3.308e-09 3.910e-08 -8.480 -7.408 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 17.55
C(4) 2.601e-03
MgCO3 1.719e-03 1.719e-03 -2.765 -2.765 0.000 25.00
HCO3- 7.289e-04 9.061e-05 -3.137 -4.043 -0.905 41.82
CO3-2 1.452e-04 1.061e-07 -3.838 -6.974 -3.136 10.90
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
CO2 3.365e-06 1.077e-05 -5.473 -4.968 0.505 24.85
Ca 6.544e-03
Ca+2 6.539e-03 3.698e-02 -2.185 -1.432 0.753 -13.02
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
Cl 6.075e+00
Cl- 6.075e+00 4.154e+00 0.784 0.619 -0.165 20.47
K 2.748e-01
K+ 2.748e-01 2.671e-01 -0.561 -0.573 -0.012 12.91
Mg 1.555e+00
Mg+2 1.553e+00 1.911e+01 0.191 1.281 1.090 -16.58
MgCO3 1.719e-03 1.719e-03 -2.765 -2.765 0.000 25.00
MgOH+ 7.038e-04 5.431e-04 -3.153 -3.265 -0.113 (0)
Na 3.609e+00
Na+ 3.609e+00 8.943e+00 0.557 0.951 0.394 2.22
S(6) 3.894e-01
SO4-2 3.894e-01 1.387e-03 -0.410 -2.858 -2.448 30.30
HSO4- 8.096e-09 5.165e-09 -8.092 -8.287 -0.195 (0)
------------------------------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 -4.97 -1.47 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 -14.96 -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 -58.23 -69.04 -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 -4.97 -1.47 1.000e+01 1.000e+01 1.366e-06
Calcite 0.00 -8.41 -8.41 3.885e-04 3.785e-04 -9.927e-06
Carnallite -2.34 1.99 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 2.947e-03 3.728e-05
Gypsum -0.00 -4.58 -4.58 2.425e-03 2.435e-03 9.623e-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 3.732e-03 5.551e-05
Ca 5.453e-03 8.113e-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 = 7.412 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 539390
Density (g/cm3) = 1.24049
Activity of water = 0.704
Ionic strength = 9.513e+00
Mass of water (kg) = 1.488e-02
Total alkalinity (eq/kg) = 7.610e-03
Total CO2 (mol/kg) = 3.732e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.248e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.06
Iterations = 21
Gamma iterations = 6
Osmotic coefficient = 1.62790
Density of water = 0.99706
Total H = 1.651494e+00
Total O = 8.536857e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.399e-06 1.825e-07 -5.620 -6.739 -1.119 -1.61
H+ 2.841e-09 3.876e-08 -8.547 -7.412 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 16.95
C(4) 3.732e-03
MgCO3 2.642e-03 2.642e-03 -2.578 -2.578 0.000 25.00
HCO3- 8.451e-04 8.992e-05 -3.073 -4.046 -0.973 42.91
CO3-2 2.356e-04 1.062e-07 -3.628 -6.974 -3.346 11.55
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
CO2 3.163e-06 1.077e-05 -5.500 -4.968 0.532 24.85
Ca 5.453e-03
Ca+2 5.448e-03 3.695e-02 -2.264 -1.432 0.831 -12.77
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
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 13.10
Mg 1.887e+00
Mg+2 1.883e+00 2.935e+01 0.275 1.468 1.193 -16.36
MgCO3 2.642e-03 2.642e-03 -2.578 -2.578 0.000 25.00
MgOH+ 9.963e-04 8.278e-04 -3.002 -3.082 -0.080 (0)
Na 3.121e+00
Na+ 3.121e+00 8.652e+00 0.494 0.937 0.443 2.40
S(6) 4.667e-01
SO4-2 4.667e-01 1.434e-03 -0.331 -2.843 -2.512 30.98
HSO4- 7.336e-09 5.296e-09 -8.135 -8.276 -0.142 (0)
------------------------------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 -2.34 1.99 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 3.17 -13.91 -17.08 CaMg(CO3)2
Epsomite -0.56 -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 -57.31 -68.11 -10.81 K8H6(SO4)7
Nahcolite -2.71 -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 -4.97 -1.47 1.000e+01 1.000e+01 4.792e-07
Calcite -0.00 -8.41 -8.41 3.785e-04 3.739e-04 -4.594e-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 -5.24 -5.25 2.947e-03 2.895e-03 -5.168e-05
Gypsum 0.00 -4.58 -4.58 2.435e-03 2.501e-03 6.639e-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 -13.85 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 3.150e-02 4.401e-04
C 4.267e-03 5.963e-05
Ca 5.082e-03 7.101e-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 = 7.413 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 548763
Density (g/cm3) = 1.24389
Activity of water = 0.699
Ionic strength = 9.755e+00
Mass of water (kg) = 1.397e-02
Total alkalinity (eq/kg) = 8.760e-03
Total CO2 (mol/kg) = 4.267e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.248e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.11
Iterations = 30
Gamma iterations = 7
Osmotic coefficient = 1.65552
Density of water = 0.99706
Total H = 1.551229e+00
Total O = 8.037137e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.616e-06 1.818e-07 -5.582 -6.740 -1.158 -1.58
H+ 2.675e-09 3.865e-08 -8.573 -7.413 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 16.71
C(4) 4.267e-03
MgCO3 3.082e-03 3.082e-03 -2.511 -2.511 0.000 25.00
HCO3- 8.965e-04 8.958e-05 -3.047 -4.048 -1.000 43.33
CO3-2 2.800e-04 1.061e-07 -3.553 -6.974 -3.421 11.80
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
CO2 3.085e-06 1.077e-05 -5.511 -4.968 0.543 24.85
Ca 5.082e-03
Ca+2 5.076e-03 3.698e-02 -2.294 -1.432 0.862 -12.68
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
Cl 6.133e+00
Cl- 6.133e+00 4.350e+00 0.788 0.639 -0.149 20.56
K 3.550e-01
K+ 3.550e-01 3.701e-01 -0.450 -0.432 0.018 13.18
Mg 2.009e+00
Mg+2 2.005e+00 3.427e+01 0.302 1.535 1.233 -16.27
MgCO3 3.082e-03 3.082e-03 -2.511 -2.511 0.000 25.00
MgOH+ 1.126e-03 9.628e-04 -2.949 -3.016 -0.068 (0)
Na 2.951e+00
Na+ 2.951e+00 8.540e+00 0.470 0.931 0.462 2.47
S(6) 4.995e-01
SO4-2 4.995e-01 1.452e-03 -0.301 -2.838 -2.536 31.24
HSO4- 7.093e-09 5.347e-09 -8.149 -8.272 -0.123 (0)
------------------------------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 -4.97 -1.47 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 -5.24 -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 -56.99 -67.80 -10.81 K8H6(SO4)7
Nahcolite -2.71 -13.46 -10.74 NaHCO3
Natron -5.84 -6.66 -0.82 Na2CO3:10H2O
Nesquehonite -0.74 -5.90 -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 -13.85 -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 -4.97 -1.47 1.000e+01 1.000e+01 4.734e-07
Calcite -0.00 -8.41 -8.41 3.739e-04 3.690e-04 -4.961e-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 2.895e-03 2.593e-03 -3.024e-04
Gypsum -0.00 -4.58 -4.58 2.501e-03 2.538e-03 3.665e-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 1.400e-04 1.400e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 3.368e-02 4.401e-04
C 4.907e-03 6.411e-05
Ca 4.719e-03 6.166e-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 = 7.413 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 557668
Density (g/cm3) = 1.24725
Activity of water = 0.695
Ionic strength = 1.000e+01
Mass of water (kg) = 1.307e-02
Total alkalinity (eq/kg) = 1.013e-02
Total CO2 (mol/kg) = 4.907e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.248e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.17
Iterations = 23
Gamma iterations = 6
Osmotic coefficient = 1.68640
Density of water = 0.99706
Total H = 1.450522e+00
Total O = 7.534063e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.869e-06 1.808e-07 -5.542 -6.743 -1.201 -1.54
H+ 2.517e-09 3.860e-08 -8.599 -7.413 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 16.47
C(4) 4.907e-03
MgCO3 3.608e-03 3.608e-03 -2.443 -2.443 0.000 25.00
HCO3- 9.540e-04 8.908e-05 -3.020 -4.050 -1.030 43.76
CO3-2 3.365e-04 1.057e-07 -3.473 -6.976 -3.503 12.05
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
CO2 3.003e-06 1.077e-05 -5.522 -4.968 0.554 24.85
Ca 4.719e-03
Ca+2 4.714e-03 3.714e-02 -2.327 -1.430 0.896 -12.58
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
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 -0.419 0.027 13.25
Mg 2.138e+00
Mg+2 2.133e+00 4.029e+01 0.329 1.605 1.276 -16.18
MgCO3 3.608e-03 3.608e-03 -2.443 -2.443 0.000 25.00
MgOH+ 1.271e-03 1.126e-03 -2.896 -2.949 -0.053 (0)
Na 2.783e+00
Na+ 2.783e+00 8.442e+00 0.444 0.926 0.482 2.54
S(6) 5.348e-01
SO4-2 5.348e-01 1.466e-03 -0.272 -2.834 -2.562 31.50
HSO4- 6.830e-09 5.391e-09 -8.166 -8.268 -0.103 (0)
------------------------------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 -4.97 -1.47 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 -56.86 -67.67 -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 -0.04 -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 -4.97 -1.47 1.000e+01 1.000e+01 4.006e-07
Calcite 0.00 -8.41 -8.41 3.690e-04 3.645e-04 -4.480e-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 -5.24 -5.25 2.593e-03 1.882e-03 -7.103e-04
Gypsum 0.00 -4.58 -4.58 2.538e-03 2.477e-03 -6.091e-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 1.400e-04 5.320e-04 3.920e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 3.621e-02 4.401e-04
C 5.611e-03 6.819e-05
Ca 4.397e-03 5.343e-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 = 7.412 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 563613
Density (g/cm3) = 1.24987
Activity of water = 0.690
Ionic strength = 1.022e+01
Mass of water (kg) = 1.215e-02
Total alkalinity (eq/kg) = 1.163e-02
Total CO2 (mol/kg) = 5.611e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.248e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.25
Iterations = 23
Gamma iterations = 6
Osmotic coefficient = 1.72045
Density of water = 0.99706
Total H = 1.349198e+00
Total O = 7.024116e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 3.159e-06 1.793e-07 -5.500 -6.746 -1.246 -1.51
H+ 2.390e-09 3.869e-08 -8.622 -7.412 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 16.26
C(4) 5.611e-03
MgCO3 4.185e-03 4.185e-03 -2.378 -2.378 0.000 25.00
HCO3- 1.011e-03 8.833e-05 -2.995 -4.054 -1.059 44.15
CO3-2 4.072e-04 1.045e-07 -3.390 -6.981 -3.591 12.27
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
CO2 2.929e-06 1.077e-05 -5.533 -4.968 0.565 24.85
Ca 4.397e-03
Ca+2 4.391e-03 3.754e-02 -2.357 -1.425 0.932 -12.50
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
Cl 6.124e+00
Cl- 6.124e+00 4.431e+00 0.787 0.647 -0.141 20.61
K 3.206e-01
K+ 3.206e-01 3.497e-01 -0.494 -0.456 0.038 13.32
Mg 2.266e+00
Mg+2 2.260e+00 4.724e+01 0.354 1.674 1.320 -16.10
MgCO3 4.185e-03 4.185e-03 -2.378 -2.378 0.000 25.00
MgOH+ 1.417e-03 1.309e-03 -2.849 -2.883 -0.034 (0)
Na 2.632e+00
Na+ 2.632e+00 8.385e+00 0.420 0.923 0.503 2.60
S(6) 5.679e-01
SO4-2 5.679e-01 1.468e-03 -0.246 -2.833 -2.588 31.73
HSO4- 6.538e-09 5.411e-09 -8.185 -8.267 -0.082 (0)
------------------------------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 -1.97 -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 -4.97 -1.47 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 -5.24 -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 -57.15 -67.96 -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 -18.93 -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 -4.97 -1.47 1.000e+01 1.000e+01 4.707e-07
Calcite 0.00 -8.41 -8.41 3.645e-04 3.582e-04 -6.269e-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 2.477e-03 2.466e-03 -1.113e-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 5.320e-04 9.017e-04 3.697e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 3.916e-02 4.401e-04
C 6.583e-03 7.399e-05
Ca 4.033e-03 4.533e-05
Cl 6.108e+00 6.865e-02
K 2.808e-01 3.156e-03
Mg 2.417e+00 2.717e-02
Na 2.459e+00 2.763e-02
S 6.105e-01 6.862e-03
----------------------------Description of solution----------------------------
pH = 7.411 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 571694
Density (g/cm3) = 1.25330
Activity of water = 0.685
Ionic strength = 1.050e+01
Mass of water (kg) = 1.124e-02
Total alkalinity (eq/kg) = 1.369e-02
Total CO2 (mol/kg) = 6.583e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.248e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.34
Iterations = 28
Gamma iterations = 6
Osmotic coefficient = 1.76137
Density of water = 0.99706
Total H = 1.247764e+00
Total O = 6.515528e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 3.531e-06 1.774e-07 -5.452 -6.751 -1.299 -1.47
H+ 2.241e-09 3.880e-08 -8.650 -7.411 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 15.99
C(4) 6.583e-03
MgCO3 4.981e-03 4.981e-03 -2.303 -2.303 0.000 25.00
HCO3- 1.086e-03 8.740e-05 -2.964 -4.058 -1.094 44.62
CO3-2 5.074e-04 1.032e-07 -3.295 -6.987 -3.692 12.55
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
CO2 2.839e-06 1.077e-05 -5.547 -4.968 0.579 24.85
Ca 4.033e-03
Ca+2 4.028e-03 3.804e-02 -2.395 -1.420 0.975 -12.39
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
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 13.41
Mg 2.417e+00
Mg+2 2.411e+00 5.698e+01 0.382 1.756 1.374 -16.00
MgCO3 4.981e-03 4.981e-03 -2.303 -2.303 0.000 25.00
MgOH+ 1.608e-03 1.562e-03 -2.794 -2.806 -0.013 (0)
Na 2.459e+00
Na+ 2.459e+00 8.310e+00 0.391 0.920 0.529 2.67
S(6) 6.105e-01
SO4-2 6.105e-01 1.471e-03 -0.214 -2.832 -2.618 32.02
HSO4- 6.227e-09 5.439e-09 -8.206 -8.265 -0.059 (0)
------------------------------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 -3.84 -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 -4.97 -1.47 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 -57.50 -68.30 -10.81 K8H6(SO4)7
Nahcolite -2.74 -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 -4.97 -1.47 1.000e+01 1.000e+01 3.282e-07
Calcite 0.00 -8.41 -8.41 3.582e-04 3.532e-04 -5.003e-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 7.338e-04 -4.345e-04
Gypsum 0.00 -4.58 -4.58 2.466e-03 2.491e-03 2.525e-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 7.358e-03 7.867e-05
Ca 3.793e-03 4.055e-05
Cl 6.098e+00 6.519e-02
K 2.561e-01 2.737e-03
Mg 2.522e+00 2.696e-02
Na 2.342e+00 2.504e-02
S 6.424e-01 6.867e-03
----------------------------Description of solution----------------------------
pH = 7.410 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 577970
Density (g/cm3) = 1.25589
Activity of water = 0.681
Ionic strength = 1.069e+01
Mass of water (kg) = 1.069e-02
Total alkalinity (eq/kg) = 1.532e-02
Total CO2 (mol/kg) = 7.358e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.248e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.40
Iterations = 25
Gamma iterations = 6
Osmotic coefficient = 1.79009
Density of water = 0.99706
Total H = 1.186824e+00
Total O = 6.211203e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 3.808e-06 1.760e-07 -5.419 -6.754 -1.335 -1.44
H+ 2.140e-09 3.887e-08 -8.670 -7.410 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 15.80
C(4) 7.358e-03
MgCO3 5.617e-03 5.617e-03 -2.251 -2.251 0.000 25.00
HCO3- 1.144e-03 8.674e-05 -2.941 -4.062 -1.120 44.96
CO3-2 5.890e-04 1.022e-07 -3.230 -6.991 -3.761 12.74
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
CO2 2.774e-06 1.077e-05 -5.557 -4.968 0.589 24.85
Ca 3.793e-03
Ca+2 3.788e-03 3.841e-02 -2.422 -1.416 1.006 -12.32
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
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 13.47
Mg 2.522e+00
Mg+2 2.514e+00 6.487e+01 0.400 1.812 1.412 -15.93
MgCO3 5.617e-03 5.617e-03 -2.251 -2.251 0.000 25.00
MgOH+ 1.754e-03 1.765e-03 -2.756 -2.753 0.003 (0)
Na 2.342e+00
Na+ 2.342e+00 8.254e+00 0.370 0.917 0.547 2.73
S(6) 6.424e-01
SO4-2 6.424e-01 1.474e-03 -0.192 -2.831 -2.639 32.22
HSO4- 6.030e-09 5.460e-09 -8.220 -8.263 -0.043 (0)
------------------------------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 -4.97 -1.47 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 -4.88 -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 -57.74 -68.55 -10.81 K8H6(SO4)7
Nahcolite -2.74 -13.48 -10.74 NaHCO3
Natron -6.00 -6.83 -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 -9.73 -14.92 -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 -18.98 -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 -4.97 -1.47 1.000e+01 1.000e+01 3.734e-07
Calcite 0.00 -8.41 -8.41 3.532e-04 3.469e-04 -6.313e-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 7.338e-04 2.903e-04 -4.435e-04
Gypsum -0.00 -4.58 -4.58 2.491e-03 2.548e-03 5.644e-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 8.343e-03 8.461e-05
Ca 3.536e-03 3.586e-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 2.247e-02
S 6.806e-01 6.902e-03
----------------------------Description of solution----------------------------
pH = 7.409 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 585692
Density (g/cm3) = 1.25900
Activity of water = 0.676
Ionic strength = 1.092e+01
Mass of water (kg) = 1.014e-02
Total alkalinity (eq/kg) = 1.740e-02
Total CO2 (mol/kg) = 8.343e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.248e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.46
Iterations = 27
Gamma iterations = 6
Osmotic coefficient = 1.82264
Density of water = 0.99706
Total H = 1.125803e+00
Total O = 5.907653e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 4.138e-06 1.745e-07 -5.383 -6.758 -1.375 -1.41
H+ 2.028e-09 3.896e-08 -8.693 -7.409 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 15.58
C(4) 8.343e-03
MgCO3 6.424e-03 6.424e-03 -2.192 -2.192 0.000 25.00
HCO3- 1.216e-03 8.596e-05 -2.915 -4.066 -1.151 45.36
CO3-2 6.939e-04 1.010e-07 -3.159 -6.996 -3.837 12.97
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
CO2 2.700e-06 1.077e-05 -5.569 -4.968 0.601 24.85
Ca 3.536e-03
Ca+2 3.530e-03 3.885e-02 -2.452 -1.411 1.042 -12.23
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
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 13.54
Mg 2.639e+00
Mg+2 2.630e+00 7.504e+01 0.420 1.875 1.455 -15.85
MgCO3 6.424e-03 6.424e-03 -2.192 -2.192 0.000 25.00
MgOH+ 1.932e-03 2.023e-03 -2.714 -2.694 0.020 (0)
Na 2.216e+00
Na+ 2.216e+00 8.188e+00 0.346 0.913 0.568 2.79
S(6) 6.806e-01
SO4-2 6.806e-01 1.478e-03 -0.167 -2.830 -2.663 32.46
HSO4- 5.826e-09 5.485e-09 -8.235 -8.261 -0.026 (0)
------------------------------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 -4.97 -1.47 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 -4.92 -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 -58.01 -68.82 -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 -7.62 -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 -4.97 -1.47 1.000e+01 1.000e+01 4.596e-07
Calcite -0.00 -8.41 -8.41 3.469e-04 3.400e-04 -6.890e-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 2.903e-04 0 -2.903e-04
Gypsum 0.00 -4.58 -4.58 2.548e-03 2.504e-03 -4.337e-05
Halite -0.00 1.57 1.57 2.313e-01 2.345e-01 3.212e-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 1.724e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 4.587e-02 4.401e-04
C 9.487e-03 9.104e-05
Ca 3.301e-03 3.167e-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 7.124e-01 6.836e-03
----------------------------Description of solution----------------------------
pH = 7.403 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 595226
Density (g/cm3) = 1.26218
Activity of water = 0.671
Ionic strength = 1.117e+01
Mass of water (kg) = 9.596e-03
Total alkalinity (eq/kg) = 1.982e-02
Total CO2 (mol/kg) = 9.487e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.248e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.52
Iterations = 34
Gamma iterations = 6
Osmotic coefficient = 1.86189
Density of water = 0.99706
Total H = 1.065287e+00
Total O = 5.602650e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 4.495e-06 1.706e-07 -5.347 -6.768 -1.421 -1.37
H+ 1.919e-09 3.950e-08 -8.717 -7.403 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 15.34
C(4) 9.487e-03
MgCO3 7.372e-03 7.372e-03 -2.132 -2.132 0.000 25.00
HCO3- 1.289e-03 8.404e-05 -2.890 -4.076 -1.186 45.78
CO3-2 8.172e-04 9.741e-08 -3.088 -7.011 -3.924 13.21
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
CO2 2.624e-06 1.077e-05 -5.581 -4.968 0.613 24.85
Ca 3.301e-03
Ca+2 3.295e-03 4.029e-02 -2.482 -1.395 1.087 -12.14
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
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 0.080 13.61
Mg 2.771e+00
Mg+2 2.761e+00 8.931e+01 0.441 1.951 1.510 -15.76
MgCO3 7.372e-03 7.372e-03 -2.132 -2.132 0.000 25.00
MgOH+ 2.141e-03 2.354e-03 -2.669 -2.628 0.041 (0)
Na 2.068e+00
Na+ 2.068e+00 8.088e+00 0.316 0.908 0.592 2.86
S(6) 7.124e-01
SO4-2 7.124e-01 1.450e-03 -0.147 -2.839 -2.691 32.71
HSO4- 5.544e-09 5.456e-09 -8.256 -8.263 -0.007 (0)
------------------------------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 -4.97 -1.47 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 -15.02 -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 -58.30 -69.11 -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 -7.67 -19.05 -11.38 Na3H(CO3)2:2H2O
Reaction step 22.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
3.000e-02 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.00 -4.22 -4.22 0.000e+00 0 0.000e+00
Bischofite -2.14 2.32 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 5.984e-07
Calcite 0.00 -8.41 -8.41 3.400e-04 3.335e-04 -6.547e-06
Carnallite -1.97 2.36 4.33 0.000e+00 0 0.000e+00
Epsomite -0.19 -2.07 -1.88 0.000e+00 0 0.000e+00
Glauberite -0.05 -5.29 -5.25 0.000e+00 0 0.000e+00
Gypsum 0.00 -4.58 -4.58 2.504e-03 2.236e-03 -2.684e-04
Halite -0.00 1.57 1.57 2.345e-01 2.373e-01 2.740e-03
Hexahydrite -0.26 -1.89 -1.63 0.000e+00 0 0.000e+00
Kieserite -0.88 -1.00 -0.12 0.000e+00 0 0.000e+00
Polyhalite -0.00 -13.74 -13.74 1.483e-03 1.622e-03 1.392e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 4.858e-02 4.401e-04
C 1.070e-02 9.698e-05
Ca 3.115e-03 2.823e-05
Cl 6.157e+00 5.579e-02
K 1.894e-01 1.716e-03
Mg 2.919e+00 2.645e-02
Na 1.888e+00 1.710e-02
S 7.227e-01 6.548e-03
----------------------------Description of solution----------------------------
pH = 7.387 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 606964
Density (g/cm3) = 1.26490
Activity of water = 0.663
Ionic strength = 1.141e+01
Mass of water (kg) = 9.060e-03
Total alkalinity (eq/kg) = 2.244e-02
Total CO2 (mol/kg) = 1.070e-02
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.248e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.60
Iterations = 28
Gamma iterations = 6
Osmotic coefficient = 1.91142
Density of water = 0.99706
Total H = 1.005803e+00
Total O = 5.293881e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 4.841e-06 1.624e-07 -5.315 -6.789 -1.474 -1.34
H+ 1.824e-09 4.102e-08 -8.739 -7.387 1.352 0.00
H2O 5.551e+01 6.631e-01 1.744 -0.178 0.000 18.07
Br 4.858e-02
Br- 4.858e-02 6.667e-02 -1.314 -1.176 0.137 15.10
C(4) 1.070e-02
MgCO3 8.403e-03 8.403e-03 -2.076 -2.076 0.000 25.00
HCO3- 1.346e-03 8.002e-05 -2.871 -4.097 -1.226 46.21
CO3-2 9.475e-04 8.932e-08 -3.023 -7.049 -4.026 13.45
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
CO2 2.555e-06 1.077e-05 -5.593 -4.968 0.625 24.85
Ca 3.115e-03
Ca+2 3.110e-03 4.394e-02 -2.507 -1.357 1.150 -12.04
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
Cl 6.157e+00
Cl- 6.157e+00 4.686e+00 0.789 0.671 -0.119 20.73
K 1.894e-01
K+ 1.894e-01 2.365e-01 -0.723 -0.626 0.096 13.69
Mg 2.919e+00
Mg+2 2.908e+00 1.110e+02 0.464 2.045 1.582 -15.67
MgCO3 8.403e-03 8.403e-03 -2.076 -2.076 0.000 25.00
MgOH+ 2.380e-03 2.786e-03 -2.624 -2.555 0.068 (0)
Na 1.888e+00
Na+ 1.888e+00 7.928e+00 0.276 0.899 0.623 2.93
S(6) 7.227e-01
SO4-2 7.227e-01 1.360e-03 -0.141 -2.866 -2.725 32.96
HSO4- 5.126e-09 5.314e-09 -8.290 -8.275 0.016 (0)
------------------------------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 -2.34 -4.12 -1.78 K2SO4
Bischofite -2.14 2.32 4.46 MgCl2:6H2O
Bloedite -0.26 -2.60 -2.35 Na2Mg(SO4)2:4H2O
Brucite -0.65 -11.53 -10.88 Mg(OH)2
Burkeite -6.61 -7.39 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -1.97 2.36 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 3.67 -13.41 -17.08 CaMg(CO3)2
Epsomite -0.19 -2.07 -1.88 MgSO4:7H2O
Gaylussite -5.13 -14.55 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.91 -6.71 -3.80 NaK3(SO4)2
Glauberite -0.05 -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 -1.89 -1.63 MgSO4:6H2O
Kainite -1.12 -1.31 -0.19 KMgClSO4:3H2O
Kalicinite -5.00 -15.06 -10.06 KHCO3
Kieserite -0.88 -1.00 -0.12 MgSO4:H2O
Labile_S -1.04 -6.72 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -0.65 -1.53 -0.89 MgSO4:4H2O
Leonite -1.67 -5.65 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.83 -5.00 -7.83 MgCO3
Mirabilite -1.64 -2.85 -1.21 Na2SO4:10H2O
Misenite -58.59 -69.40 -10.81 K8H6(SO4)7
Nahcolite -2.79 -13.54 -10.74 NaHCO3
Natron -6.21 -7.03 -0.82 Na2CO3:10H2O
Nesquehonite -0.37 -5.54 -5.17 MgCO3:3H2O
Pentahydrite -0.43 -1.71 -1.28 MgSO4:5H2O
Pirssonite -4.78 -14.01 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.75 -14.94 -5.19 Ca(OH)2
Schoenite -1.68 -6.01 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.86 0.04 0.90 KCl
Syngenite -1.07 -8.52 -7.45 K2Ca(SO4)2:H2O
Trona -7.76 -19.14 -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 0.000e+00 2.045e-03 2.045e-03
Bischofite -2.06 2.40 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 6.936e-07
Calcite 0.00 -8.41 -8.41 3.335e-04 3.233e-04 -1.014e-05
Carnallite -1.90 2.43 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 2.236e-03 0 -2.236e-03
Halite -0.00 1.57 1.57 2.373e-01 2.396e-01 2.310e-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 1.622e-03 1.724e-03 1.024e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 5.120e-02 4.401e-04
C 1.238e-02 1.064e-04
Ca 2.860e-03 2.459e-05
Cl 6.221e+00 5.348e-02
K 1.758e-01 1.511e-03
Mg 3.065e+00 2.635e-02
Na 1.721e+00 1.479e-02
S 7.363e-01 6.329e-03
----------------------------Description of solution----------------------------
pH = 7.376 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 620086
Density (g/cm3) = 1.26797
Activity of water = 0.655
Ionic strength = 1.167e+01
Mass of water (kg) = 8.596e-03
Total alkalinity (eq/kg) = 2.601e-02
Total CO2 (mol/kg) = 1.238e-02
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.248e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.66
Iterations = 38
Gamma iterations = 6
Osmotic coefficient = 1.96092
Density of water = 0.99706
Total H = 9.543369e-01
Total O = 5.028099e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 5.257e-06 1.566e-07 -5.279 -6.805 -1.526 -1.30
H+ 1.705e-09 4.203e-08 -8.768 -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 14.84
C(4) 1.238e-02
MgCO3 9.826e-03 9.826e-03 -2.008 -2.008 0.000 25.00
HCO3- 1.430e-03 7.714e-05 -2.845 -4.113 -1.268 46.66
CO3-2 1.117e-03 8.404e-08 -2.952 -7.076 -4.124 13.70
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
CO2 2.483e-06 1.077e-05 -5.605 -4.968 0.637 24.85
Ca 2.860e-03
Ca+2 2.855e-03 4.670e-02 -2.544 -1.331 1.214 -11.94
CaCO3 5.560e-06 5.560e-06 -5.255 -5.255 0.000 25.00
Cl 6.221e+00
Cl- 6.221e+00 4.786e+00 0.794 0.680 -0.114 20.76
K 1.758e-01
K+ 1.758e-01 2.276e-01 -0.755 -0.643 0.112 13.76
Mg 3.065e+00
Mg+2 3.052e+00 1.380e+02 0.485 2.140 1.655 -15.58
MgCO3 9.826e-03 9.826e-03 -2.008 -2.008 0.000 25.00
MgOH+ 2.680e-03 3.338e-03 -2.572 -2.477 0.095 (0)
Na 1.721e+00
Na+ 1.721e+00 7.762e+00 0.236 0.890 0.654 3.00
S(6) 7.363e-01
SO4-2 7.363e-01 1.281e-03 -0.133 -2.892 -2.759 33.22
HSO4- 4.713e-09 5.131e-09 -8.327 -8.290 0.037 (0)
------------------------------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 -4.18 -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 -1.90 2.43 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 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 -3.02 -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 -1.27 -0.19 KMgClSO4:3H2O
Kalicinite -5.04 -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 -1.69 -5.67 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.90 -4.94 -7.83 MgCO3
Mirabilite -1.74 -2.95 -1.21 Na2SO4:10H2O
Misenite -58.84 -69.65 -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 -5.49 -5.17 MgCO3:3H2O
Pentahydrite -0.39 -1.67 -1.28 MgSO4:5H2O
Pirssonite -4.84 -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.
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