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iphreeqc/ex17b.out
David L Parkhurst 2671345a70 Latest example output. 
Latest Tony databases.

Removed statics.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6773 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-07-12 17:47:49 +00:00

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Input file: ../examples/ex17b
Output file: ex17b.out
Database file: ../database/pitzer.dat
------------------
Reading data base.
------------------
SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
PITZER
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES
SURFACE_SPECIES
END
------------------------------------
Reading input data for simulation 1.
------------------------------------
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 8.530e-04 8.530e-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) = 1.01093
Activity of water = 0.990
Ionic strength = 3.752e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 8.764e-04
Total CO2 (mol/kg) = 8.530e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.242e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.34
Iterations = 9
Gamma iterations = 3
Osmotic coefficient = 0.89851
Density of water = 0.99706
Total H = 1.110132e+02
Total O = 5.556985e+01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.654e-06 9.925e-07 -5.781 -6.003 -0.222 -2.93
H+ 1.290e-08 1.000e-08 -7.889 -8.000 -0.111 0.00
H2O 5.551e+01 9.903e-01 1.744 -0.004 0.000 18.07
Br 4.401e-04
Br- 4.401e-04 3.004e-04 -3.356 -3.522 -0.166 25.36
C(4) 8.530e-04
HCO3- 8.119e-04 4.990e-04 -3.091 -3.302 -0.211 25.96
CO3-2 1.627e-05 2.285e-06 -4.789 -5.641 -0.853 -1.62
MgCO3 1.454e-05 1.454e-05 -4.837 -4.837 0.000 -17.09
CO2 1.036e-05 1.096e-05 -4.985 -4.960 0.024 30.26
Ca 5.841e-03
Ca+2 5.841e-03 1.473e-03 -2.233 -2.832 -0.598 -16.61
Cl 2.930e-01
Cl- 2.930e-01 1.960e-01 -0.533 -0.708 -0.175 18.60
K 4.960e-03
K+ 4.960e-03 3.418e-03 -2.305 -2.466 -0.162 9.52
Mg 2.807e-02
Mg+2 2.805e-02 7.511e-03 -1.552 -2.124 -0.572 -20.67
MgCO3 1.454e-05 1.454e-05 -4.837 -4.837 0.000 -17.09
MgOH+ 1.244e-06 1.155e-06 -5.905 -5.938 -0.032 (0)
Na 2.544e-01
Na+ 2.544e-01 1.835e-01 -0.595 -0.736 -0.142 -0.75
S(6) 1.527e-02
SO4-2 1.527e-02 2.117e-03 -1.816 -2.674 -0.858 17.17
HSO4- 2.952e-09 2.017e-09 -8.530 -8.695 -0.165 40.79
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -1.29 -5.51 -4.22 CaSO4
Aragonite -0.25 -8.47 -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 -8.47 -8.41 CaCO3
Carnallite -11.07 -6.74 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 0.84 -16.24 -17.08 CaMg(CO3)2
Epsomite -2.95 -4.83 -1.88 MgSO4:7H2O
Gaylussite -6.19 -15.61 -9.42 CaNa2(CO3)2:5H2O
Glaserite -9.68 -13.48 -3.80 NaK3(SO4)2
Glauberite -4.41 -9.65 -5.25 Na2Ca(SO4)2
Gypsum -0.93 -5.51 -4.58 CaSO4:2H2O
H2O(g) -1.51 -0.00 1.50 H2O
Halite -3.01 -1.44 1.57 NaCl
Hexahydrite -3.19 -4.82 -1.63 MgSO4:6H2O
Kainite -7.79 -7.99 -0.19 KMgClSO4:3H2O
Kalicinite -6.05 -16.11 -10.06 KHCO3
Kieserite -4.68 -4.80 -0.12 MgSO4:H2O
Labile_S -8.14 -13.81 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -3.93 -4.82 -0.89 MgSO4:4H2O
Leonite -8.44 -12.42 -3.98 K2Mg(SO4)2:4H2O
Magnesite 0.07 -7.77 -7.83 MgCO3
Mirabilite -2.98 -4.19 -1.21 Na2SO4:10H2O
Misenite -75.64 -86.45 -10.81 K8H6(SO4)7
Nahcolite -3.64 -14.38 -10.74 NaHCO3
Natron -6.33 -7.16 -0.82 Na2CO3:10H2O
Nesquehonite -2.61 -7.78 -5.17 MgCO3:3H2O
Pentahydrite -3.53 -4.82 -1.28 MgSO4:5H2O
Pirssonite -6.36 -15.60 -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 -10.12 -21.50 -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 -1.29 -5.51 -4.22 0.000e+00 0 0.000e+00
Bischofite -8.02 -3.57 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 2.292e-13
Calcite -0.07 -8.47 -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 8.530e-04 8.530e-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) = 1.01093
Activity of water = 0.990
Ionic strength = 3.752e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 8.764e-04
Total CO2 (mol/kg) = 8.530e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.242e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.34
Iterations = 13
Gamma iterations = 5
Osmotic coefficient = 0.89851
Density of water = 0.99706
Total H = 1.110132e+02
Total O = 5.556985e+01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.654e-06 9.925e-07 -5.781 -6.003 -0.222 -2.93
H+ 1.290e-08 1.000e-08 -7.889 -8.000 -0.111 0.00
H2O 5.551e+01 9.903e-01 1.744 -0.004 0.000 18.07
Br 4.401e-04
Br- 4.401e-04 3.004e-04 -3.356 -3.522 -0.166 25.36
C(4) 8.530e-04
HCO3- 8.119e-04 4.990e-04 -3.091 -3.302 -0.211 25.96
CO3-2 1.627e-05 2.285e-06 -4.789 -5.641 -0.853 -1.62
MgCO3 1.454e-05 1.454e-05 -4.837 -4.837 0.000 -17.09
CO2 1.036e-05 1.096e-05 -4.985 -4.960 0.024 30.26
Ca 5.841e-03
Ca+2 5.841e-03 1.473e-03 -2.233 -2.832 -0.598 -16.61
Cl 2.930e-01
Cl- 2.930e-01 1.960e-01 -0.533 -0.708 -0.175 18.60
K 4.960e-03
K+ 4.960e-03 3.418e-03 -2.305 -2.466 -0.162 9.52
Mg 2.807e-02
Mg+2 2.805e-02 7.511e-03 -1.552 -2.124 -0.572 -20.67
MgCO3 1.454e-05 1.454e-05 -4.837 -4.837 0.000 -17.09
MgOH+ 1.244e-06 1.155e-06 -5.905 -5.938 -0.032 (0)
Na 2.544e-01
Na+ 2.544e-01 1.835e-01 -0.595 -0.736 -0.142 -0.75
S(6) 1.527e-02
SO4-2 1.527e-02 2.117e-03 -1.816 -2.674 -0.858 17.17
HSO4- 2.952e-09 2.017e-09 -8.530 -8.695 -0.165 40.79
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -1.29 -5.51 -4.22 CaSO4
Aragonite -0.25 -8.47 -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 -8.47 -8.41 CaCO3
Carnallite -11.07 -6.74 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 0.84 -16.24 -17.08 CaMg(CO3)2
Epsomite -2.95 -4.83 -1.88 MgSO4:7H2O
Gaylussite -6.19 -15.61 -9.42 CaNa2(CO3)2:5H2O
Glaserite -9.68 -13.48 -3.80 NaK3(SO4)2
Glauberite -4.41 -9.65 -5.25 Na2Ca(SO4)2
Gypsum -0.93 -5.51 -4.58 CaSO4:2H2O
H2O(g) -1.51 -0.00 1.50 H2O
Halite -3.01 -1.44 1.57 NaCl
Hexahydrite -3.19 -4.82 -1.63 MgSO4:6H2O
Kainite -7.79 -7.99 -0.19 KMgClSO4:3H2O
Kalicinite -6.05 -16.11 -10.06 KHCO3
Kieserite -4.68 -4.80 -0.12 MgSO4:H2O
Labile_S -8.14 -13.81 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -3.93 -4.82 -0.89 MgSO4:4H2O
Leonite -8.44 -12.42 -3.98 K2Mg(SO4)2:4H2O
Magnesite 0.07 -7.77 -7.83 MgCO3
Mirabilite -2.98 -4.19 -1.21 Na2SO4:10H2O
Misenite -75.64 -86.45 -10.81 K8H6(SO4)7
Nahcolite -3.64 -14.38 -10.74 NaHCO3
Natron -6.33 -7.16 -0.82 Na2CO3:10H2O
Nesquehonite -2.61 -7.78 -5.17 MgCO3:3H2O
Pentahydrite -3.53 -4.82 -1.28 MgSO4:5H2O
Pirssonite -6.36 -15.60 -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 -10.12 -21.50 -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 -0.79 -5.01 -4.22 0.000e+00 0 0.000e+00
Bischofite -6.82 -2.36 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 2.935e-04
Calcite 0.00 -8.41 -8.41 0.000e+00 3.054e-04 3.054e-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 7.229e-04 2.541e-04
Ca 1.575e-02 5.536e-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 = 7.842 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 70310
Density (g/cm3) = 1.03537
Activity of water = 0.972
Ionic strength = 1.065e+00
Mass of water (kg) = 3.514e-01
Total alkalinity (eq/kg) = 7.555e-04
Total CO2 (mol/kg) = 7.229e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.242e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.34
Iterations = 20
Gamma iterations = 5
Osmotic coefficient = 0.91486
Density of water = 0.99706
Total H = 3.901325e+01
Total O = 1.956835e+01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.443e-06 6.777e-07 -5.841 -6.169 -0.328 -1.42
H+ 1.641e-08 1.438e-08 -7.785 -7.842 -0.058 0.00
H2O 5.551e+01 9.722e-01 1.744 -0.012 0.000 18.07
Br 1.252e-03
Br- 1.252e-03 7.911e-04 -2.902 -3.102 -0.200 25.75
C(4) 7.229e-04
HCO3- 6.753e-04 3.407e-04 -3.170 -3.468 -0.297 27.88
CO3-2 1.928e-05 1.085e-06 -4.715 -5.964 -1.250 0.27
MgCO3 1.900e-05 1.900e-05 -4.721 -4.721 0.000 -17.09
CO2 9.348e-06 1.096e-05 -5.029 -4.960 0.069 30.26
Ca 1.575e-02
Ca+2 1.575e-02 3.616e-03 -1.803 -2.442 -0.639 -16.15
Cl 8.339e-01
Cl- 8.339e-01 4.997e-01 -0.079 -0.301 -0.222 18.96
K 1.411e-02
K+ 1.411e-02 8.942e-03 -1.850 -2.049 -0.198 10.00
Mg 7.987e-02
Mg+2 7.985e-02 2.066e-02 -1.098 -1.685 -0.587 -20.17
MgCO3 1.900e-05 1.900e-05 -4.721 -4.721 0.000 -17.09
MgOH+ 2.199e-06 2.169e-06 -5.658 -5.664 -0.006 (0)
Na 7.238e-01
Na+ 7.238e-01 5.131e-01 -0.140 -0.290 -0.149 -0.38
S(6) 4.345e-02
SO4-2 4.345e-02 2.722e-03 -1.362 -2.565 -1.203 18.96
HSO4- 6.107e-09 3.728e-09 -8.214 -8.429 -0.214 41.13
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.79 -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 -3.14 -14.02 -10.88 Mg(OH)2
Burkeite -12.06 -12.83 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -9.04 -4.71 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 1.03 -16.06 -17.08 CaMg(CO3)2
Epsomite -2.45 -4.34 -1.88 MgSO4:7H2O
Gaylussite -5.59 -15.01 -9.42 CaNa2(CO3)2:5H2O
Glaserite -7.76 -11.57 -3.80 NaK3(SO4)2
Glauberite -2.91 -8.15 -5.25 Na2Ca(SO4)2
Gypsum -0.45 -5.03 -4.58 CaSO4:2H2O
H2O(g) -1.52 -0.01 1.50 H2O
Halite -2.16 -0.59 1.57 NaCl
Hexahydrite -2.69 -4.32 -1.63 MgSO4:6H2O
Kainite -6.44 -6.64 -0.19 KMgClSO4:3H2O
Kalicinite -5.80 -15.86 -10.06 KHCO3
Kieserite -4.14 -4.26 -0.12 MgSO4:H2O
Labile_S -5.65 -11.32 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -3.41 -4.30 -0.89 MgSO4:4H2O
Leonite -6.98 -10.96 -3.98 K2Mg(SO4)2:4H2O
Magnesite 0.18 -7.65 -7.83 MgCO3
Mirabilite -2.05 -3.27 -1.21 Na2SO4:10H2O
Misenite -70.59 -81.40 -10.81 K8H6(SO4)7
Nahcolite -3.35 -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 -14.97 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -7.21 -20.95 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.59 -14.78 -5.19 Ca(OH)2
Schoenite -6.66 -10.99 -4.33 K2Mg(SO4)2:6H2O
Sylvite -3.25 -2.35 0.90 KCl
Syngenite -4.23 -11.68 -7.45 K2Ca(SO4)2:H2O
Trona -9.28 -20.67 -11.38 Na3H(CO3)2:2H2O
Reaction step 3.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
4.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.67 -4.89 -4.22 0.000e+00 0 0.000e+00
Bischofite -6.53 -2.07 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 3.261e-05
Calcite 0.00 -8.41 -8.41 3.054e-04 3.401e-04 3.467e-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 6.686e-04 1.868e-04
Ca 1.969e-02 5.501e-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 = 7.788 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 82662
Density (g/cm3) = 1.04478
Activity of water = 0.965
Ionic strength = 1.339e+00
Mass of water (kg) = 2.794e-01
Total alkalinity (eq/kg) = 7.022e-04
Total CO2 (mol/kg) = 6.686e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.242e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.34
Iterations = 15
Gamma iterations = 5
Osmotic coefficient = 0.92627
Density of water = 0.99706
Total H = 3.101325e+01
Total O = 1.556818e+01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.351e-06 5.933e-07 -5.869 -6.227 -0.358 -0.86
H+ 1.736e-08 1.630e-08 -7.761 -7.788 -0.027 0.00
H2O 5.551e+01 9.647e-01 1.744 -0.016 0.000 18.07
Br 1.575e-03
Br- 1.575e-03 9.876e-04 -2.803 -3.005 -0.203 25.87
C(4) 6.686e-04
HCO3- 6.209e-04 2.983e-04 -3.207 -3.525 -0.318 28.60
MgCO3 1.954e-05 1.954e-05 -4.709 -4.709 0.000 -17.09
CO3-2 1.915e-05 8.380e-07 -4.718 -6.077 -1.359 0.87
CO2 8.974e-06 1.096e-05 -5.047 -4.960 0.087 30.26
Ca 1.969e-02
Ca+2 1.969e-02 4.683e-03 -1.706 -2.329 -0.624 -16.01
Cl 1.049e+00
Cl- 1.049e+00 6.161e-01 0.021 -0.210 -0.231 19.07
K 1.775e-02
K+ 1.775e-02 1.112e-02 -1.751 -1.954 -0.203 10.15
Mg 1.005e-01
Mg+2 1.005e-01 2.751e-02 -0.998 -1.561 -0.562 -20.01
MgCO3 1.954e-05 1.954e-05 -4.709 -4.709 0.000 -17.09
MgOH+ 2.567e-06 2.528e-06 -5.591 -5.597 -0.007 (0)
Na 9.105e-01
Na+ 9.105e-01 6.539e-01 -0.041 -0.185 -0.144 -0.26
S(6) 5.466e-02
SO4-2 5.466e-02 2.769e-03 -1.262 -2.558 -1.295 19.56
HSO4- 7.234e-09 4.299e-09 -8.141 -8.367 -0.226 41.22
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.67 -4.89 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -4.69 -6.47 -1.78 K2SO4
Bischofite -6.53 -2.07 4.46 MgCl2:6H2O
Bloedite -4.76 -7.11 -2.35 Na2Mg(SO4)2:4H2O
Brucite -3.13 -14.01 -10.88 Mg(OH)2
Burkeite -11.53 -12.30 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -8.57 -4.24 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 1.04 -16.04 -17.08 CaMg(CO3)2
Epsomite -2.35 -4.23 -1.88 MgSO4:7H2O
Gaylussite -5.51 -14.93 -9.42 CaNa2(CO3)2:5H2O
Glaserite -7.36 -11.16 -3.80 NaK3(SO4)2
Glauberite -2.57 -7.81 -5.25 Na2Ca(SO4)2
Gypsum -0.34 -4.92 -4.58 CaSO4:2H2O
H2O(g) -1.52 -0.02 1.50 H2O
Halite -1.96 -0.39 1.57 NaCl
Hexahydrite -2.58 -4.21 -1.63 MgSO4:6H2O
Kainite -6.14 -6.33 -0.19 KMgClSO4:3H2O
Kalicinite -5.76 -15.82 -10.06 KHCO3
Kieserite -4.01 -4.13 -0.12 MgSO4:H2O
Labile_S -5.10 -10.77 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -3.29 -4.18 -0.89 MgSO4:4H2O
Leonite -6.67 -10.65 -3.98 K2Mg(SO4)2:4H2O
Magnesite 0.20 -7.64 -7.83 MgCO3
Mirabilite -1.87 -3.08 -1.21 Na2SO4:10H2O
Misenite -69.46 -80.26 -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 -9.59 -14.78 -5.19 Ca(OH)2
Schoenite -6.35 -10.68 -4.33 K2Mg(SO4)2:6H2O
Sylvite -3.06 -2.16 0.90 KCl
Syngenite -3.92 -11.37 -7.45 K2Ca(SO4)2:H2O
Trona -9.14 -20.53 -11.38 Na3H(CO3)2:2H2O
Reaction step 4.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
4.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.50 -4.72 -4.22 0.000e+00 0 0.000e+00
Bischofite -6.14 -1.68 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 3.114e-05
Calcite 0.00 -8.41 -8.41 3.401e-04 3.734e-04 3.327e-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 -19.63 -13.74 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.123e-03 4.401e-04
C 5.903e-04 1.224e-04
Ca 2.638e-02 5.468e-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 = 7.706 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 102616
Density (g/cm3) = 1.06034
Activity of water = 0.952
Ionic strength = 1.805e+00
Mass of water (kg) = 2.073e-01
Total alkalinity (eq/kg) = 6.253e-04
Total CO2 (mol/kg) = 5.903e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.242e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.34
Iterations = 16
Gamma iterations = 5
Osmotic coefficient = 0.94891
Density of water = 0.99706
Total H = 2.301325e+01
Total O = 1.156802e+01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.215e-06 4.842e-07 -5.915 -6.315 -0.400 0.07
H+ 1.842e-08 1.970e-08 -7.735 -7.706 0.029 0.00
H2O 5.551e+01 9.516e-01 1.744 -0.022 0.000 18.07
Br 2.123e-03
Br- 2.123e-03 1.331e-03 -2.673 -2.876 -0.203 26.05
C(4) 5.903e-04
HCO3- 5.430e-04 2.434e-04 -3.265 -3.614 -0.348 29.81
MgCO3 2.037e-05 2.037e-05 -4.691 -4.691 0.000 -17.09
CO3-2 1.855e-05 5.659e-07 -4.732 -6.247 -1.516 1.78
CO2 8.374e-06 1.096e-05 -5.077 -4.960 0.117 30.26
Ca 2.638e-02
Ca+2 2.638e-02 6.934e-03 -1.579 -2.159 -0.580 -15.78
Cl 1.414e+00
Cl- 1.414e+00 8.132e-01 0.150 -0.090 -0.240 19.22
K 2.393e-02
K+ 2.393e-02 1.487e-02 -1.621 -1.828 -0.207 10.38
Mg 1.354e-01
Mg+2 1.354e-01 4.247e-02 -0.868 -1.372 -0.503 -19.75
MgCO3 2.037e-05 2.037e-05 -4.691 -4.691 0.000 -17.09
MgOH+ 3.296e-06 3.185e-06 -5.482 -5.497 -0.015 (0)
Na 1.227e+00
Na+ 1.227e+00 9.120e-01 0.089 -0.040 -0.129 -0.05
S(6) 7.366e-02
SO4-2 7.366e-02 2.760e-03 -1.133 -2.559 -1.426 20.50
HSO4- 9.039e-09 5.178e-09 -8.044 -8.286 -0.242 41.36
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.50 -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 -3.12 -14.00 -10.88 Mg(OH)2
Burkeite -10.83 -11.61 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -7.93 -3.60 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 1.06 -16.03 -17.08 CaMg(CO3)2
Epsomite -2.20 -4.08 -1.88 MgSO4:7H2O
Gaylussite -5.42 -14.84 -9.42 CaNa2(CO3)2:5H2O
Glaserite -6.84 -10.64 -3.80 NaK3(SO4)2
Glauberite -2.11 -7.36 -5.25 Na2Ca(SO4)2
Gypsum -0.18 -4.76 -4.58 CaSO4:2H2O
H2O(g) -1.52 -0.02 1.50 H2O
Halite -1.70 -0.13 1.57 NaCl
Hexahydrite -2.43 -4.06 -1.63 MgSO4:6H2O
Kainite -5.72 -5.91 -0.19 KMgClSO4:3H2O
Kalicinite -5.72 -15.78 -10.06 KHCO3
Kieserite -3.83 -3.95 -0.12 MgSO4:H2O
Labile_S -4.37 -10.04 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -3.13 -4.02 -0.89 MgSO4:4H2O
Leonite -6.25 -10.23 -3.98 K2Mg(SO4)2:4H2O
Magnesite 0.21 -7.62 -7.83 MgCO3
Mirabilite -1.64 -2.85 -1.21 Na2SO4:10H2O
Misenite -67.96 -78.77 -10.81 K8H6(SO4)7
Nahcolite -3.25 -13.99 -10.74 NaHCO3
Natron -5.72 -6.54 -0.82 Na2CO3:10H2O
Nesquehonite -2.52 -7.68 -5.17 MgCO3:3H2O
Pentahydrite -2.75 -4.04 -1.28 MgSO4:5H2O
Pirssonite -5.54 -14.78 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -5.88 -19.63 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.60 -14.79 -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 -20.36 -11.38 Na3H(CO3)2:2H2O
Reaction step 5.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
4.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.29 -4.51 -4.22 0.000e+00 0 0.000e+00
Bischofite -5.51 -1.05 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 2.647e-05
Calcite 0.00 -8.41 -8.41 3.734e-04 4.012e-04 2.787e-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 7.508e-04 7.508e-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 5.031e-04 6.803e-05
Ca 3.468e-02 4.689e-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 = 7.586 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 148313
Density (g/cm3) = 1.09041
Activity of water = 0.923
Ionic strength = 2.744e+00
Mass of water (kg) = 1.352e-01
Total alkalinity (eq/kg) = 5.465e-04
Total CO2 (mol/kg) = 5.031e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.242e-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 = 1.501025e+01
Total O = 7.563376e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.042e-06 3.563e-07 -5.982 -6.448 -0.466 1.88
H+ 1.797e-08 2.596e-08 -7.746 -7.586 0.160 0.00
H2O 5.551e+01 9.228e-01 1.744 -0.035 0.000 18.07
Br 3.255e-03
Br- 3.255e-03 2.101e-03 -2.487 -2.677 -0.190 26.34
C(4) 5.031e-04
HCO3- 4.520e-04 1.791e-04 -3.345 -3.747 -0.402 32.17
MgCO3 2.550e-05 2.550e-05 -4.594 -4.594 0.000 -17.09
CO3-2 1.837e-05 3.160e-07 -4.736 -6.500 -1.764 3.39
CO2 7.285e-06 1.096e-05 -5.138 -4.960 0.177 30.26
Ca 3.468e-02
Ca+2 3.468e-02 1.242e-02 -1.460 -1.906 -0.446 -15.35
Cl 2.167e+00
Cl- 2.167e+00 1.231e+00 0.336 0.090 -0.246 19.48
K 3.668e-02
K+ 3.668e-02 2.314e-02 -1.436 -1.636 -0.200 10.78
Mg 2.076e-01
Mg+2 2.076e-01 9.521e-02 -0.683 -1.021 -0.338 -19.27
MgCO3 2.550e-05 2.550e-05 -4.594 -4.594 0.000 -17.09
MgOH+ 5.783e-06 5.255e-06 -5.238 -5.279 -0.042 (0)
Na 1.881e+00
Na+ 1.881e+00 1.550e+00 0.274 0.190 -0.084 0.33
S(6) 1.074e-01
SO4-2 1.074e-01 2.485e-03 -0.969 -2.605 -1.636 22.24
HSO4- 1.136e-08 6.144e-09 -7.945 -8.212 -0.267 41.57
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.29 -4.51 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -4.10 -5.88 -1.78 K2SO4
Bischofite -5.51 -1.05 4.46 MgCl2:6H2O
Bloedite -3.64 -5.99 -2.35 Na2Mg(SO4)2:4H2O
Brucite -3.04 -13.92 -10.88 Mg(OH)2
Burkeite -9.80 -10.57 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -6.93 -2.60 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 1.16 -15.93 -17.08 CaMg(CO3)2
Epsomite -1.99 -3.87 -1.88 MgSO4:7H2O
Gaylussite -5.28 -14.70 -9.42 CaNa2(CO3)2:5H2O
Glaserite -6.12 -9.93 -3.80 NaK3(SO4)2
Glauberite -1.49 -6.73 -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 -5.66 -15.72 -10.06 KHCO3
Kieserite -3.54 -3.66 -0.12 MgSO4:H2O
Labile_S -3.36 -9.03 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -2.88 -3.77 -0.89 MgSO4:4H2O
Leonite -5.66 -9.64 -3.98 K2Mg(SO4)2:4H2O
Magnesite 0.31 -7.52 -7.83 MgCO3
Mirabilite -1.36 -2.57 -1.21 Na2SO4:10H2O
Misenite -66.03 -76.83 -10.81 K8H6(SO4)7
Nahcolite -3.15 -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 -9.61 -14.80 -5.19 Ca(OH)2
Schoenite -5.38 -9.71 -4.33 K2Mg(SO4)2:6H2O
Sylvite -2.45 -1.55 0.90 KCl
Syngenite -2.97 -10.42 -7.45 K2Ca(SO4)2:H2O
Trona -8.70 -20.09 -11.38 Na3H(CO3)2:2H2O
Reaction step 6.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.28 -4.50 -4.22 0.000e+00 0 0.000e+00
Bischofite -5.27 -0.82 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.572e-06
Calcite 0.00 -8.41 -8.41 4.012e-04 4.054e-04 4.137e-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 7.508e-04 1.571e-03 8.204e-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 5.063e-04 5.932e-05
Ca 3.298e-02 3.865e-03
Cl 2.501e+00 2.930e-01
K 4.233e-02 4.960e-03
Mg 2.396e-01 2.807e-02
Na 2.171e+00 2.544e-01
S 1.169e-01 1.370e-02
----------------------------Description of solution----------------------------
pH = 7.564 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 174018
Density (g/cm3) = 1.10254
Activity of water = 0.909
Ionic strength = 3.138e+00
Mass of water (kg) = 1.172e-01
Total alkalinity (eq/kg) = 5.601e-04
Total CO2 (mol/kg) = 5.063e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.242e-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 = 1.300696e+01
Total O = 6.558432e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.028e-06 3.337e-07 -5.988 -6.477 -0.488 2.63
H+ 1.639e-08 2.731e-08 -7.785 -7.564 0.222 0.00
H2O 5.551e+01 9.093e-01 1.744 -0.041 0.000 18.07
Br 3.756e-03
Br- 3.756e-03 2.474e-03 -2.425 -2.607 -0.181 26.45
C(4) 5.063e-04
HCO3- 4.476e-04 1.678e-04 -3.349 -3.775 -0.426 33.15
MgCO3 3.188e-05 3.188e-05 -4.497 -4.497 0.000 -17.09
CO3-2 1.995e-05 2.813e-07 -4.700 -6.551 -1.851 4.00
CO2 6.870e-06 1.096e-05 -5.163 -4.960 0.203 30.26
Ca 3.298e-02
Ca+2 3.298e-02 1.395e-02 -1.482 -1.855 -0.374 -15.18
Cl 2.501e+00
Cl- 2.501e+00 1.423e+00 0.398 0.153 -0.245 19.57
K 4.233e-02
K+ 4.233e-02 2.712e-02 -1.373 -1.567 -0.193 10.94
Mg 2.396e-01
Mg+2 2.395e-01 1.337e-01 -0.621 -0.874 -0.253 -19.07
MgCO3 3.188e-05 3.188e-05 -4.497 -4.497 0.000 -17.09
MgOH+ 7.812e-06 6.912e-06 -5.107 -5.160 -0.053 (0)
Na 2.171e+00
Na+ 2.171e+00 1.889e+00 0.337 0.276 -0.060 0.49
S(6) 1.169e-01
SO4-2 1.169e-01 2.278e-03 -0.932 -2.642 -1.710 22.94
HSO4- 1.119e-08 5.926e-09 -7.951 -8.227 -0.276 41.65
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.28 -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 -2.95 -13.83 -10.88 Mg(OH)2
Burkeite -9.41 -10.18 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -6.56 -2.23 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 1.25 -15.83 -17.08 CaMg(CO3)2
Epsomite -1.92 -3.81 -1.88 MgSO4:7H2O
Gaylussite -5.19 -14.61 -9.42 CaNa2(CO3)2:5H2O
Glaserite -5.91 -9.71 -3.80 NaK3(SO4)2
Glauberite -1.34 -6.59 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.54 -0.04 1.50 H2O
Halite -1.14 0.43 1.57 NaCl
Hexahydrite -2.13 -3.76 -1.63 MgSO4:6H2O
Kainite -4.86 -5.05 -0.19 KMgClSO4:3H2O
Kalicinite -5.62 -15.68 -10.06 KHCO3
Kieserite -3.43 -3.56 -0.12 MgSO4:H2O
Labile_S -3.09 -8.76 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -2.79 -3.68 -0.89 MgSO4:4H2O
Leonite -5.48 -9.46 -3.98 K2Mg(SO4)2:4H2O
Magnesite 0.41 -7.42 -7.83 MgCO3
Mirabilite -1.29 -2.50 -1.21 Na2SO4:10H2O
Misenite -65.61 -76.41 -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 -9.62 -14.81 -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 -10.31 -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 -4.96 -1.46 1.000e+01 1.000e+01 4.555e-06
Calcite -0.00 -8.41 -8.41 4.054e-04 4.092e-04 3.801e-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 1.571e-03 2.444e-03 8.725e-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 5.142e-04 5.097e-05
Ca 3.015e-02 2.988e-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 1.283e-02
----------------------------Description of solution----------------------------
pH = 7.535 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 218826
Density (g/cm3) = 1.11850
Activity of water = 0.890
Ionic strength = 3.674e+00
Mass of water (kg) = 9.912e-02
Total alkalinity (eq/kg) = 5.854e-04
Total CO2 (mol/kg) = 5.142e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.242e-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 = 1.100347e+01
Total O = 5.553177e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.004e-06 3.057e-07 -5.998 -6.515 -0.517 3.63
H+ 1.435e-08 2.918e-08 -7.843 -7.535 0.308 0.00
H2O 5.551e+01 8.902e-01 1.744 -0.051 0.000 18.07
Br 4.440e-03
Br- 4.440e-03 3.019e-03 -2.353 -2.520 -0.168 26.59
C(4) 5.142e-04
HCO3- 4.430e-04 1.537e-04 -3.354 -3.813 -0.460 34.47
MgCO3 4.297e-05 4.297e-05 -4.367 -4.367 0.000 -17.09
CO3-2 2.185e-05 2.412e-07 -4.661 -6.618 -1.957 4.79
CO2 6.345e-06 1.096e-05 -5.198 -4.960 0.237 30.26
Ca 3.015e-02
Ca+2 3.015e-02 1.627e-02 -1.521 -1.789 -0.268 -14.95
Cl 2.957e+00
Cl- 2.957e+00 1.693e+00 0.471 0.229 -0.242 19.68
K 5.004e-02
K+ 5.004e-02 3.292e-02 -1.301 -1.483 -0.182 11.14
Mg 2.832e-01
Mg+2 2.831e-01 2.102e-01 -0.548 -0.677 -0.129 -18.81
MgCO3 4.297e-05 4.297e-05 -4.367 -4.367 0.000 -17.09
MgOH+ 1.171e-05 9.957e-06 -4.931 -5.002 -0.070 (0)
Na 2.566e+00
Na+ 2.566e+00 2.421e+00 0.409 0.384 -0.025 0.70
S(6) 1.294e-01
SO4-2 1.294e-01 2.038e-03 -0.888 -2.691 -1.803 23.86
HSO4- 1.099e-08 5.665e-09 -7.959 -8.247 -0.288 41.74
------------------------------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 -2.83 -13.71 -10.88 Mg(OH)2
Burkeite -8.92 -9.69 -0.77 Na6CO3(SO4)2
Calcite -0.00 -8.41 -8.41 CaCO3
Carnallite -6.11 -1.78 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 1.38 -15.70 -17.08 CaMg(CO3)2
Epsomite -1.84 -3.72 -1.88 MgSO4:7H2O
Gaylussite -5.09 -14.51 -9.42 CaNa2(CO3)2:5H2O
Glaserite -5.64 -9.45 -3.80 NaK3(SO4)2
Glauberite -1.16 -6.40 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.55 -0.05 1.50 H2O
Halite -0.96 0.61 1.57 NaCl
Hexahydrite -2.04 -3.67 -1.63 MgSO4:6H2O
Kainite -4.58 -4.77 -0.19 KMgClSO4:3H2O
Kalicinite -5.58 -15.64 -10.06 KHCO3
Kieserite -3.30 -3.42 -0.12 MgSO4:H2O
Labile_S -2.75 -8.43 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -2.68 -3.57 -0.89 MgSO4:4H2O
Leonite -5.25 -9.23 -3.98 K2Mg(SO4)2:4H2O
Magnesite 0.54 -7.29 -7.83 MgCO3
Mirabilite -1.21 -2.43 -1.21 Na2SO4:10H2O
Misenite -65.10 -75.91 -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 -9.63 -14.82 -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 -8.33 -19.72 -11.38 Na3H(CO3)2:2H2O
Reaction step 8.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.23 -4.45 -4.22 0.000e+00 0 0.000e+00
Bischofite -4.60 -0.14 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.519e-06
Calcite 0.00 -8.41 -8.41 4.092e-04 4.121e-04 2.964e-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 2.444e-03 3.358e-03 9.140e-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 5.364e-04 4.348e-05
Ca 2.555e-02 2.071e-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 1.470e-01 1.191e-02
----------------------------Description of solution----------------------------
pH = 7.496 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 286244
Density (g/cm3) = 1.14051
Activity of water = 0.861
Ionic strength = 4.447e+00
Mass of water (kg) = 8.107e-02
Total alkalinity (eq/kg) = 6.426e-04
Total CO2 (mol/kg) = 5.364e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.242e-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 = 8.999818e+00
Total O = 4.547675e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 9.685e-07 2.702e-07 -6.014 -6.568 -0.554 5.06
H+ 1.168e-08 3.194e-08 -7.933 -7.496 0.437 0.00
H2O 5.551e+01 8.610e-01 1.744 -0.065 0.000 18.07
Br 5.429e-03
Br- 5.429e-03 3.891e-03 -2.265 -2.410 -0.145 26.77
C(4) 5.364e-04
HCO3- 4.407e-04 1.358e-04 -3.356 -3.867 -0.511 36.36
MgCO3 6.592e-05 6.592e-05 -4.181 -4.181 0.000 -17.09
CO3-2 2.412e-05 1.947e-07 -4.618 -6.711 -2.093 5.86
CO2 5.658e-06 1.096e-05 -5.247 -4.960 0.287 30.26
Ca 2.555e-02
Ca+2 2.555e-02 2.015e-02 -1.593 -1.696 -0.103 -14.63
Cl 3.615e+00
Cl- 3.615e+00 2.104e+00 0.558 0.323 -0.235 19.83
K 6.118e-02
K+ 6.118e-02 4.214e-02 -1.213 -1.375 -0.162 11.41
Mg 3.462e-01
Mg+2 3.462e-01 3.995e-01 -0.461 -0.399 0.062 -18.44
MgCO3 6.592e-05 6.592e-05 -4.181 -4.181 0.000 -17.09
MgOH+ 2.087e-05 1.672e-05 -4.680 -4.777 -0.096 (0)
Na 3.138e+00
Na+ 3.138e+00 3.366e+00 0.497 0.527 0.031 1.00
S(6) 1.470e-01
SO4-2 1.470e-01 1.759e-03 -0.833 -2.755 -1.922 25.16
HSO4- 1.078e-08 5.351e-09 -7.967 -8.272 -0.304 41.85
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.23 -4.45 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -3.73 -5.51 -1.78 K2SO4
Bischofite -4.60 -0.14 4.46 MgCl2:6H2O
Bloedite -2.77 -5.11 -2.35 Na2Mg(SO4)2:4H2O
Brucite -2.66 -13.54 -10.88 Mg(OH)2
Burkeite -8.29 -9.06 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -5.52 -1.19 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 1.57 -15.52 -17.08 CaMg(CO3)2
Epsomite -1.73 -3.61 -1.88 MgSO4:7H2O
Gaylussite -4.97 -14.39 -9.42 CaNa2(CO3)2:5H2O
Glaserite -5.31 -9.11 -3.80 NaK3(SO4)2
Glauberite -0.91 -6.15 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.57 -0.06 1.50 H2O
Halite -0.72 0.85 1.57 NaCl
Hexahydrite -1.91 -3.54 -1.63 MgSO4:6H2O
Kainite -4.21 -4.40 -0.19 KMgClSO4:3H2O
Kalicinite -5.52 -15.58 -10.06 KHCO3
Kieserite -3.10 -3.22 -0.12 MgSO4:H2O
Labile_S -2.31 -7.98 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -2.53 -3.41 -0.89 MgSO4:4H2O
Leonite -4.94 -8.92 -3.98 K2Mg(SO4)2:4H2O
Magnesite 0.72 -7.11 -7.83 MgCO3
Mirabilite -1.14 -2.35 -1.21 Na2SO4:10H2O
Misenite -64.45 -75.26 -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 -9.64 -14.83 -5.19 Ca(OH)2
Schoenite -4.72 -9.05 -4.33 K2Mg(SO4)2:6H2O
Sylvite -1.95 -1.05 0.90 KCl
Syngenite -2.57 -10.02 -7.45 K2Ca(SO4)2:H2O
Trona -8.08 -19.47 -11.38 Na3H(CO3)2:2H2O
Reaction step 9.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.18 -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 -4.96 -1.46 1.000e+01 1.000e+01 4.612e-06
Calcite -0.00 -8.41 -8.41 4.121e-04 4.125e-04 3.810e-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 -5.77 -5.25 0.000e+00 0 0.000e+00
Gypsum 0.00 -4.58 -4.58 3.358e-03 4.264e-03 9.063e-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 6.108e-04 3.849e-05
Ca 1.848e-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 1.747e-01 1.101e-02
----------------------------Description of solution----------------------------
pH = 7.439 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 360814
Density (g/cm3) = 1.17279
Activity of water = 0.812
Ionic strength = 5.663e+00
Mass of water (kg) = 6.302e-02
Total alkalinity (eq/kg) = 8.145e-04
Total CO2 (mol/kg) = 6.108e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.242e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35
Iterations = 20
Gamma iterations = 6
Osmotic coefficient = 1.23103
Density of water = 0.99706
Total H = 6.996192e+00
Total O = 3.542227e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 9.113e-07 2.234e-07 -6.040 -6.651 -0.610 7.27
H+ 8.227e-09 3.640e-08 -8.085 -7.439 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 5.500e-03 -2.156 -2.260 -0.104 27.02
C(4) 6.108e-04
HCO3- 4.497e-04 1.123e-04 -3.347 -3.949 -0.602 39.30
MgCO3 1.297e-04 1.297e-04 -3.887 -3.887 0.000 -17.09
CO3-2 2.663e-05 1.413e-07 -4.575 -6.850 -2.275 7.43
CO2 4.728e-06 1.096e-05 -5.325 -4.960 0.365 30.26
Ca 1.848e-02
Ca+2 1.848e-02 2.777e-02 -1.733 -1.556 0.177 -14.14
Cl 4.650e+00
Cl- 4.650e+00 2.806e+00 0.667 0.448 -0.219 20.03
K 7.870e-02
K+ 7.870e-02 5.905e-02 -1.104 -1.229 -0.125 11.81
Mg 4.454e-01
Mg+2 4.452e-01 1.083e+00 -0.351 0.035 0.386 -17.88
MgCO3 1.297e-04 1.297e-04 -3.887 -3.887 0.000 -17.09
MgOH+ 5.130e-05 3.748e-05 -4.290 -4.426 -0.136 (0)
Na 4.036e+00
Na+ 4.036e+00 5.414e+00 0.606 0.734 0.128 1.46
S(6) 1.747e-01
SO4-2 1.747e-01 1.436e-03 -0.758 -2.843 -2.085 27.13
HSO4- 1.066e-08 4.980e-09 -7.972 -8.303 -0.330 42.00
------------------------------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 -2.39 -13.27 -10.88 Mg(OH)2
Burkeite -7.36 -8.13 -0.77 Na6CO3(SO4)2
Calcite -0.00 -8.41 -8.41 CaCO3
Carnallite -4.72 -0.39 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 1.86 -15.22 -17.08 CaMg(CO3)2
Epsomite -1.56 -3.44 -1.88 MgSO4:7H2O
Gaylussite -4.82 -14.24 -9.42 CaNa2(CO3)2:5H2O
Glaserite -4.84 -8.64 -3.80 NaK3(SO4)2
Glauberite -0.53 -5.77 -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 -63.56 -74.36 -10.81 K8H6(SO4)7
Nahcolite -2.81 -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 -9.67 -14.86 -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 -4.96 -1.46 1.000e+01 1.000e+01 5.364e-06
Calcite -0.00 -8.41 -8.41 4.125e-04 4.044e-04 -8.116e-06
Carnallite -3.74 0.59 4.33 0.000e+00 0 0.000e+00
Epsomite -1.30 -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 4.264e-03 4.963e-03 6.988e-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 9.169e-04 4.124e-05
Ca 1.054e-02 4.741e-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 2.292e-01 1.031e-02
----------------------------Description of solution----------------------------
pH = 7.382 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 467461
Density (g/cm3) = 1.21233
Activity of water = 0.741
Ionic strength = 7.355e+00
Mass of water (kg) = 4.498e-02
Total alkalinity (eq/kg) = 1.502e-03
Total CO2 (mol/kg) = 9.169e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.242e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.38
Iterations = 26
Gamma iterations = 7
Osmotic coefficient = 1.37578
Density of water = 0.99706
Total H = 4.993397e+00
Total O = 2.538048e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 8.926e-07 1.788e-07 -6.049 -6.748 -0.698 10.32
H+ 4.833e-09 4.150e-08 -8.316 -7.382 0.934 0.00
H2O 5.551e+01 7.405e-01 1.744 -0.130 0.000 18.07
Br 9.785e-03
Br- 9.785e-03 8.930e-03 -2.009 -2.049 -0.040 27.34
C(4) 9.169e-04
HCO3- 5.108e-04 8.992e-05 -3.292 -4.046 -0.754 43.35
MgCO3 3.706e-04 3.706e-04 -3.431 -3.431 0.000 -17.09
CO3-2 3.188e-05 9.922e-08 -4.497 -7.003 -2.507 9.45
CO2 3.709e-06 1.096e-05 -5.431 -4.960 0.471 30.26
Ca 1.054e-02
Ca+2 1.054e-02 3.955e-02 -1.977 -1.403 0.574 -13.46
Cl 5.998e+00
Cl- 5.998e+00 3.852e+00 0.778 0.586 -0.192 20.27
K 1.103e-01
K+ 1.103e-01 9.444e-02 -0.958 -1.025 -0.067 12.32
Mg 6.241e-01
Mg+2 6.235e-01 4.407e+00 -0.205 0.644 0.849 -17.10
MgCO3 3.706e-04 3.706e-04 -3.431 -3.431 0.000 -17.09
MgOH+ 1.855e-04 1.221e-04 -3.732 -3.913 -0.182 (0)
Na 5.138e+00
Na+ 5.138e+00 9.646e+00 0.711 0.984 0.274 2.09
S(6) 2.292e-01
SO4-2 2.292e-01 1.211e-03 -0.640 -2.917 -2.277 29.81
HSO4- 1.098e-08 4.788e-09 -7.959 -8.320 -0.360 42.17
------------------------------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 -1.97 -12.85 -10.88 Mg(OH)2
Burkeite -6.16 -6.93 -0.77 Na6CO3(SO4)2
Calcite -0.00 -8.41 -8.41 CaCO3
Carnallite -3.74 0.59 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 2.32 -14.77 -17.08 CaMg(CO3)2
Epsomite -1.30 -3.19 -1.88 MgSO4:7H2O
Gaylussite -4.67 -14.09 -9.42 CaNa2(CO3)2:5H2O
Glaserite -4.12 -7.92 -3.80 NaK3(SO4)2
Glauberite -0.02 -5.27 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.63 -0.13 1.50 H2O
Halite -0.00 1.57 1.57 NaCl
Hexahydrite -1.42 -3.06 -1.63 MgSO4:6H2O
Kainite -2.91 -3.10 -0.19 KMgClSO4:3H2O
Kalicinite -5.35 -15.41 -10.06 KHCO3
Kieserite -2.28 -2.40 -0.12 MgSO4:H2O
Labile_S -0.80 -6.48 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -1.91 -2.79 -0.89 MgSO4:4H2O
Leonite -3.78 -7.76 -3.98 K2Mg(SO4)2:4H2O
Magnesite 1.47 -6.36 -7.83 MgCO3
Mirabilite -1.04 -2.25 -1.21 Na2SO4:10H2O
Misenite -62.10 -72.91 -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 -2.92 -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 -9.71 -14.90 -5.19 Ca(OH)2
Schoenite -3.69 -8.02 -4.33 K2Mg(SO4)2:6H2O
Sylvite -1.34 -0.44 0.90 KCl
Syngenite -1.97 -9.42 -7.45 K2Ca(SO4)2:H2O
Trona -7.31 -18.70 -11.38 Na3H(CO3)2:2H2O
Reaction step 11.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.09 -4.31 -4.22 0.000e+00 0 0.000e+00
Bischofite -3.11 1.34 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.283e-06
Calcite 0.00 -8.41 -8.41 4.044e-04 4.010e-04 -3.374e-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 2.037e-03 2.037e-03
Gypsum 0.00 -4.58 -4.58 4.963e-03 3.175e-03 -1.788e-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 4.033e-05
Ca 8.446e-03 2.283e-04
Cl 6.020e+00 1.627e-01
K 1.835e-01 4.960e-03
Mg 1.039e+00 2.807e-02
Na 4.438e+00 1.200e-01
S 2.968e-01 8.022e-03
----------------------------Description of solution----------------------------
pH = 7.398 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 485118
Density (g/cm3) = 1.21935
Activity of water = 0.731
Ionic strength = 8.015e+00
Mass of water (kg) = 2.703e-02
Total alkalinity (eq/kg) = 2.749e-03
Total CO2 (mol/kg) = 1.492e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.242e-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 = 3.000549e+00
Total O = 1.532480e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.262e-06 1.830e-07 -5.899 -6.738 -0.839 11.49
H+ 4.101e-09 4.001e-08 -8.387 -7.398 0.989 0.00
H2O 5.551e+01 7.307e-01 1.744 -0.136 0.000 18.07
Br 1.628e-02
Br- 1.628e-02 1.609e-02 -1.788 -1.794 -0.005 27.45
C(4) 1.492e-03
MgCO3 8.206e-04 8.206e-04 -3.086 -3.086 0.000 -17.09
HCO3- 6.026e-04 9.202e-05 -3.220 -4.036 -0.816 44.91
CO3-2 6.550e-05 1.053e-07 -4.184 -6.978 -2.794 10.20
CO2 3.528e-06 1.096e-05 -5.453 -4.960 0.492 30.26
Ca 8.446e-03
Ca+2 8.446e-03 3.727e-02 -2.073 -1.429 0.645 -13.21
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 12.51
Mg 1.039e+00
Mg+2 1.037e+00 9.197e+00 0.016 0.964 0.948 -16.80
MgCO3 8.206e-04 8.206e-04 -3.086 -3.086 0.000 -17.09
MgOH+ 3.733e-04 2.607e-04 -3.428 -3.584 -0.156 (0)
Na 4.438e+00
Na+ 4.438e+00 9.358e+00 0.647 0.971 0.324 2.33
S(6) 2.968e-01
SO4-2 2.968e-01 1.320e-03 -0.528 -2.879 -2.352 30.83
HSO4- 9.696e-09 5.033e-09 -8.013 -8.298 -0.285 42.23
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.09 -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 -1.63 -12.51 -10.88 Mg(OH)2
Burkeite -6.14 -6.91 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -3.17 1.16 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 2.66 -14.42 -17.08 CaMg(CO3)2
Epsomite -0.99 -2.87 -1.88 MgSO4:7H2O
Gaylussite -4.70 -14.12 -9.42 CaNa2(CO3)2:5H2O
Glaserite -3.33 -7.13 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.24 -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 -59.98 -70.79 -10.81 K8H6(SO4)7
Nahcolite -2.66 -13.40 -10.74 NaHCO3
Natron -5.57 -6.40 -0.82 Na2CO3:10H2O
Nesquehonite -1.26 -6.42 -5.17 MgCO3:3H2O
Pentahydrite -1.31 -2.60 -1.28 MgSO4:5H2O
Pirssonite -4.48 -13.71 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -1.50 -15.25 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.71 -14.90 -5.19 Ca(OH)2
Schoenite -2.85 -7.17 -4.33 K2Mg(SO4)2:6H2O
Sylvite -1.08 -0.18 0.90 KCl
Syngenite -1.44 -8.89 -7.45 K2Ca(SO4)2:H2O
Trona -7.33 -18.71 -11.38 Na3H(CO3)2:2H2O
Reaction step 12.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
2.500e-01 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.08 -4.30 -4.22 0.000e+00 0 0.000e+00
Bischofite -2.98 1.47 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 1.290e-06
Calcite -0.00 -8.41 -8.41 4.010e-04 3.981e-04 -2.968e-06
Carnallite -2.94 1.39 4.33 0.000e+00 0 0.000e+00
Epsomite -0.87 -2.75 -1.88 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.25 -5.25 2.037e-03 2.554e-03 5.173e-04
Gypsum 0.00 -4.58 -4.58 3.175e-03 2.716e-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 7.655e-03 1.726e-04
Cl 6.040e+00 1.362e-01
K 2.200e-01 4.960e-03
Mg 1.245e+00 2.807e-02
Na 4.098e+00 9.237e-02
S 3.303e-01 7.446e-03
----------------------------Description of solution----------------------------
pH = 7.400 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 495829
Density (g/cm3) = 1.22306
Activity of water = 0.725
Ionic strength = 8.353e+00
Mass of water (kg) = 2.254e-02
Total alkalinity (eq/kg) = 3.560e-03
Total CO2 (mol/kg) = 1.864e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.242e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.73
Iterations = 20
Gamma iterations = 6
Osmotic coefficient = 1.49144
Density of water = 0.99706
Total H = 2.502384e+00
Total O = 1.281099e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.478e-06 1.827e-07 -5.830 -6.738 -0.908 12.10
H+ 3.793e-09 3.978e-08 -8.421 -7.400 1.021 0.00
H2O 5.551e+01 7.251e-01 1.744 -0.140 0.000 18.07
Br 1.953e-02
Br- 1.953e-02 2.005e-02 -1.709 -1.698 0.011 27.51
C(4) 1.864e-03
MgCO3 1.120e-03 1.120e-03 -2.951 -2.951 0.000 -17.09
HCO3- 6.500e-04 9.184e-05 -3.187 -4.037 -0.850 45.71
CO3-2 9.058e-05 1.057e-07 -4.043 -6.976 -2.933 10.57
CO2 3.434e-06 1.096e-05 -5.464 -4.960 0.504 30.26
Ca 7.655e-03
Ca+2 7.655e-03 3.713e-02 -2.116 -1.430 0.686 -13.07
Cl 6.040e+00
Cl- 6.040e+00 4.039e+00 0.781 0.606 -0.175 20.40
K 2.200e-01
K+ 2.200e-01 2.043e-01 -0.658 -0.690 -0.032 12.60
Mg 1.245e+00
Mg+2 1.244e+00 1.250e+01 0.095 1.097 1.002 -16.65
MgCO3 1.120e-03 1.120e-03 -2.951 -2.951 0.000 -17.09
MgOH+ 4.878e-04 3.537e-04 -3.312 -3.451 -0.140 (0)
Na 4.098e+00
Na+ 4.098e+00 9.198e+00 0.613 0.964 0.351 2.45
S(6) 3.303e-01
SO4-2 3.303e-01 1.346e-03 -0.481 -2.871 -2.390 31.35
HSO4- 9.032e-09 5.101e-09 -8.044 -8.292 -0.248 42.25
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.08 -4.30 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -2.47 -4.25 -1.78 K2SO4
Bischofite -2.98 1.47 4.46 MgCl2:6H2O
Bloedite -0.93 -3.28 -2.35 Na2Mg(SO4)2:4H2O
Brucite -1.50 -12.38 -10.88 Mg(OH)2
Burkeite -6.16 -6.94 -0.77 Na6CO3(SO4)2
Calcite -0.00 -8.41 -8.41 CaCO3
Carnallite -2.94 1.39 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 2.80 -14.29 -17.08 CaMg(CO3)2
Epsomite -0.87 -2.75 -1.88 MgSO4:7H2O
Gaylussite -4.73 -14.15 -9.42 CaNa2(CO3)2:5H2O
Glaserite -3.04 -6.85 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.25 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.64 -0.14 1.50 H2O
Halite -0.00 1.57 1.57 NaCl
Hexahydrite -0.98 -2.61 -1.63 MgSO4:6H2O
Kainite -2.08 -2.28 -0.19 KMgClSO4:3H2O
Kalicinite -5.01 -15.07 -10.06 KHCO3
Kieserite -1.79 -1.91 -0.12 MgSO4:H2O
Labile_S -0.80 -6.47 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -1.45 -2.33 -0.89 MgSO4:4H2O
Leonite -2.60 -6.58 -3.98 K2Mg(SO4)2:4H2O
Magnesite 1.96 -5.88 -7.83 MgCO3
Mirabilite -1.13 -2.34 -1.21 Na2SO4:10H2O
Misenite -59.21 -70.02 -10.81 K8H6(SO4)7
Nahcolite -2.67 -13.41 -10.74 NaHCO3
Natron -5.62 -6.44 -0.82 Na2CO3:10H2O
Nesquehonite -1.13 -6.30 -5.17 MgCO3:3H2O
Pentahydrite -1.19 -2.47 -1.28 MgSO4:5H2O
Pirssonite -4.50 -13.73 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -1.16 -14.91 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.72 -14.91 -5.19 Ca(OH)2
Schoenite -2.53 -6.86 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.98 -0.08 0.90 KCl
Syngenite -1.24 -8.69 -7.45 K2Ca(SO4)2:H2O
Trona -7.36 -18.74 -11.38 Na3H(CO3)2:2H2O
Reaction step 13.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
2.500e-01 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.07 -4.29 -4.22 0.000e+00 0 0.000e+00
Bischofite -2.81 1.65 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 1.505e-06
Calcite 0.00 -8.41 -8.41 3.981e-04 3.916e-04 -6.465e-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 -5.24 -5.25 2.554e-03 2.912e-03 3.576e-04
Gypsum 0.00 -4.58 -4.58 2.716e-03 2.420e-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 2.603e-03 4.697e-05
Ca 6.538e-03 1.180e-04
Cl 6.075e+00 1.096e-01
K 2.748e-01 4.960e-03
Mg 1.555e+00 2.807e-02
Na 3.609e+00 6.514e-02
S 3.894e-01 7.027e-03
----------------------------Description of solution----------------------------
pH = 7.404 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 515129
Density (g/cm3) = 1.22936
Activity of water = 0.716
Ionic strength = 8.890e+00
Mass of water (kg) = 1.805e-02
Total alkalinity (eq/kg) = 5.163e-03
Total CO2 (mol/kg) = 2.603e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.242e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.89
Iterations = 20
Gamma iterations = 6
Osmotic coefficient = 1.55543
Density of water = 0.99706
Total H = 2.003570e+00
Total O = 1.030035e+00
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.864e-06 1.818e-07 -5.729 -6.740 -1.011 13.05
H+ 3.338e-09 3.945e-08 -8.477 -7.404 1.073 0.00
H2O 5.551e+01 7.157e-01 1.744 -0.145 0.000 18.07
Br 2.439e-02
Br- 2.439e-02 2.652e-02 -1.613 -1.576 0.036 27.59
C(4) 2.603e-03
MgCO3 1.719e-03 1.719e-03 -2.765 -2.765 0.000 -17.09
HCO3- 7.354e-04 9.142e-05 -3.133 -4.039 -0.905 46.98
CO3-2 1.452e-04 1.061e-07 -3.838 -6.974 -3.136 11.16
CO2 3.281e-06 1.096e-05 -5.484 -4.960 0.524 30.26
Ca 6.538e-03
Ca+2 6.538e-03 3.698e-02 -2.185 -1.432 0.753 -12.86
Cl 6.075e+00
Cl- 6.075e+00 4.154e+00 0.784 0.619 -0.165 20.46
K 2.748e-01
K+ 2.748e-01 2.671e-01 -0.561 -0.573 -0.012 12.75
Mg 1.555e+00
Mg+2 1.553e+00 1.911e+01 0.191 1.281 1.090 -16.41
MgCO3 1.719e-03 1.719e-03 -2.765 -2.765 0.000 -17.09
MgOH+ 6.977e-04 5.383e-04 -3.156 -3.269 -0.113 (0)
Na 3.609e+00
Na+ 3.609e+00 8.943e+00 0.557 0.951 0.394 2.65
S(6) 3.894e-01
SO4-2 3.894e-01 1.387e-03 -0.410 -2.858 -2.448 32.17
HSO4- 8.169e-09 5.212e-09 -8.088 -8.283 -0.195 42.29
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.07 -4.29 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -2.23 -4.00 -1.78 K2SO4
Bischofite -2.81 1.65 4.46 MgCl2:6H2O
Bloedite -0.77 -3.11 -2.35 Na2Mg(SO4)2:4H2O
Brucite -1.32 -12.20 -10.88 Mg(OH)2
Burkeite -6.21 -6.98 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -2.64 1.69 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 2.98 -14.10 -17.08 CaMg(CO3)2
Epsomite -0.71 -2.59 -1.88 MgSO4:7H2O
Gaylussite -4.78 -14.20 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.68 -6.48 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.24 -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 -4.89 -14.95 -10.06 KHCO3
Kieserite -1.60 -1.72 -0.12 MgSO4:H2O
Labile_S -0.82 -6.49 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -1.27 -2.16 -0.89 MgSO4:4H2O
Leonite -2.18 -6.16 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.14 -5.69 -7.83 MgCO3
Mirabilite -1.19 -2.41 -1.21 Na2SO4:10H2O
Misenite -58.21 -69.02 -10.81 K8H6(SO4)7
Nahcolite -2.68 -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 -9.72 -14.91 -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 -7.40 -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 -0.06 -4.28 -4.22 0.000e+00 0 0.000e+00
Bischofite -2.64 1.82 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 1.359e-06
Calcite -0.00 -8.41 -8.41 3.916e-04 3.817e-04 -9.935e-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 2.912e-03 2.949e-03 3.725e-05
Gypsum -0.00 -4.58 -4.58 2.420e-03 2.429e-03 9.645e-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 2.958e-02 4.401e-04
C 3.734e-03 5.555e-05
Ca 5.447e-03 8.104e-05
Cl 6.117e+00 9.101e-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 = 7.408 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 539387
Density (g/cm3) = 1.23722
Activity of water = 0.704
Ionic strength = 9.513e+00
Mass of water (kg) = 1.488e-02
Total alkalinity (eq/kg) = 7.599e-03
Total CO2 (mol/kg) = 3.734e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.242e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.05
Iterations = 22
Gamma iterations = 6
Osmotic coefficient = 1.62791
Density of water = 0.99706
Total H = 1.651531e+00
Total O = 8.537058e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.372e-06 1.804e-07 -5.625 -6.744 -1.119 14.15
H+ 2.866e-09 3.911e-08 -8.543 -7.408 1.135 0.00
H2O 5.551e+01 7.041e-01 1.744 -0.152 0.000 18.07
Br 2.958e-02
Br- 2.958e-02 3.424e-02 -1.529 -1.466 0.063 27.69
C(4) 3.734e-03
MgCO3 2.642e-03 2.642e-03 -2.578 -2.578 0.000 -17.09
HCO3- 8.526e-04 9.072e-05 -3.069 -4.042 -0.973 48.45
CO3-2 2.356e-04 1.062e-07 -3.628 -6.974 -3.346 11.83
CO2 3.099e-06 1.096e-05 -5.509 -4.960 0.549 30.26
Ca 5.447e-03
Ca+2 5.447e-03 3.695e-02 -2.264 -1.432 0.831 -12.62
Cl 6.117e+00
Cl- 6.117e+00 4.294e+00 0.787 0.633 -0.154 20.53
K 3.334e-01
K+ 3.334e-01 3.410e-01 -0.477 -0.467 0.010 12.92
Mg 1.887e+00
Mg+2 1.883e+00 2.936e+01 0.275 1.468 1.193 -16.13
MgCO3 2.642e-03 2.642e-03 -2.578 -2.578 0.000 -17.09
MgOH+ 9.876e-04 8.205e-04 -3.005 -3.086 -0.080 (0)
Na 3.121e+00
Na+ 3.121e+00 8.652e+00 0.494 0.937 0.443 2.87
S(6) 4.667e-01
SO4-2 4.667e-01 1.434e-03 -0.331 -2.843 -2.512 33.12
HSO4- 7.402e-09 5.344e-09 -8.131 -8.272 -0.142 42.34
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.06 -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 -1.14 -12.02 -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 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 3.17 -13.91 -17.08 CaMg(CO3)2
Epsomite -0.56 -2.44 -1.88 MgSO4:7H2O
Gaylussite -4.85 -14.27 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.35 -6.15 -3.80 NaK3(SO4)2
Glauberite -0.00 -5.25 -5.25 Na2Ca(SO4)2
Gypsum -0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.66 -0.15 1.50 H2O
Halite -0.00 1.57 1.57 NaCl
Hexahydrite -0.66 -2.29 -1.63 MgSO4:6H2O
Kainite -1.47 -1.67 -0.19 KMgClSO4:3H2O
Kalicinite -4.79 -14.85 -10.06 KHCO3
Kieserite -1.41 -1.53 -0.12 MgSO4:H2O
Labile_S -0.85 -6.52 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -1.10 -1.99 -0.89 MgSO4:4H2O
Leonite -1.78 -5.76 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.33 -5.51 -7.83 MgCO3
Mirabilite -1.28 -2.49 -1.21 Na2SO4:10H2O
Misenite -57.28 -68.09 -10.81 K8H6(SO4)7
Nahcolite -2.70 -13.44 -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 -9.73 -14.92 -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 -7.46 -18.85 -11.38 Na3H(CO3)2:2H2O
Reaction step 15.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
5.000e-02 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.05 -4.27 -4.22 0.000e+00 0 0.000e+00
Bischofite -2.57 1.88 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.754e-07
Calcite 0.00 -8.41 -8.41 3.817e-04 3.771e-04 -4.596e-06
Carnallite -2.24 2.09 4.33 0.000e+00 0 0.000e+00
Epsomite -0.51 -2.39 -1.88 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.25 -5.25 2.949e-03 2.898e-03 -5.170e-05
Gypsum 0.00 -4.58 -4.58 2.429e-03 2.496e-03 6.640e-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 4.270e-03 5.967e-05
Ca 5.076e-03 7.093e-05
Cl 6.134e+00 8.571e-02
K 3.549e-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 = 7.409 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 548761
Density (g/cm3) = 1.24041
Activity of water = 0.699
Ionic strength = 9.755e+00
Mass of water (kg) = 1.397e-02
Total alkalinity (eq/kg) = 8.748e-03
Total CO2 (mol/kg) = 4.270e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.242e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.11
Iterations = 23
Gamma iterations = 6
Osmotic coefficient = 1.65553
Density of water = 0.99706
Total H = 1.551266e+00
Total O = 8.037338e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.586e-06 1.798e-07 -5.587 -6.745 -1.158 14.58
H+ 2.699e-09 3.899e-08 -8.569 -7.409 1.160 0.00
H2O 5.551e+01 6.994e-01 1.744 -0.155 0.000 18.07
Br 3.150e-02
Br- 3.150e-02 3.730e-02 -1.502 -1.428 0.073 27.73
C(4) 4.270e-03
MgCO3 3.082e-03 3.082e-03 -2.511 -2.511 0.000 -17.09
HCO3- 9.045e-04 9.039e-05 -3.044 -4.044 -1.000 49.03
CO3-2 2.800e-04 1.061e-07 -3.553 -6.974 -3.421 12.08
CO2 3.026e-06 1.096e-05 -5.519 -4.960 0.559 30.26
Ca 5.076e-03
Ca+2 5.076e-03 3.698e-02 -2.295 -1.432 0.862 -12.53
Cl 6.134e+00
Cl- 6.134e+00 4.350e+00 0.788 0.639 -0.149 20.56
K 3.549e-01
K+ 3.549e-01 3.700e-01 -0.450 -0.432 0.018 12.99
Mg 2.009e+00
Mg+2 2.005e+00 3.427e+01 0.302 1.535 1.233 -16.02
MgCO3 3.082e-03 3.082e-03 -2.511 -2.511 0.000 -17.09
MgOH+ 1.116e-03 9.543e-04 -2.952 -3.020 -0.068 (0)
Na 2.951e+00
Na+ 2.951e+00 8.540e+00 0.470 0.931 0.462 2.96
S(6) 4.995e-01
SO4-2 4.995e-01 1.452e-03 -0.301 -2.838 -2.536 33.50
HSO4- 7.157e-09 5.395e-09 -8.145 -8.268 -0.123 42.35
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.05 -4.27 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -1.93 -3.70 -1.78 K2SO4
Bischofite -2.57 1.88 4.46 MgCl2:6H2O
Bloedite -0.55 -2.90 -2.35 Na2Mg(SO4)2:4H2O
Brucite -1.08 -11.96 -10.88 Mg(OH)2
Burkeite -6.29 -7.06 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -2.24 2.09 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 3.24 -13.85 -17.08 CaMg(CO3)2
Epsomite -0.51 -2.39 -1.88 MgSO4:7H2O
Gaylussite -4.87 -14.29 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.24 -6.04 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.25 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.66 -0.16 1.50 H2O
Halite -0.00 1.57 1.57 NaCl
Hexahydrite -0.60 -2.23 -1.63 MgSO4:6H2O
Kainite -1.37 -1.56 -0.19 KMgClSO4:3H2O
Kalicinite -4.76 -14.81 -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 -56.97 -67.77 -10.81 K8H6(SO4)7
Nahcolite -2.71 -13.45 -10.74 NaHCO3
Natron -5.84 -6.66 -0.82 Na2CO3:10H2O
Nesquehonite -0.74 -5.90 -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 -9.73 -14.92 -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 -18.87 -11.38 Na3H(CO3)2:2H2O
Reaction step 16.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
5.000e-02 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.04 -4.26 -4.22 0.000e+00 0 0.000e+00
Bischofite -2.51 1.94 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.698e-07
Calcite -0.00 -8.41 -8.41 3.771e-04 3.721e-04 -4.962e-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 2.898e-03 2.595e-03 -3.026e-04
Gypsum 0.00 -4.58 -4.58 2.496e-03 2.532e-03 3.660e-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 1.401e-04 1.401e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 3.368e-02 4.401e-04
C 4.910e-03 6.416e-05
Ca 4.713e-03 6.158e-05
Cl 6.140e+00 8.023e-02
K 3.581e-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 = 7.410 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 557663
Density (g/cm3) = 1.24355
Activity of water = 0.695
Ionic strength = 1.000e+01
Mass of water (kg) = 1.307e-02
Total alkalinity (eq/kg) = 1.011e-02
Total CO2 (mol/kg) = 4.910e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.242e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.17
Iterations = 20
Gamma iterations = 6
Osmotic coefficient = 1.68641
Density of water = 0.99706
Total H = 1.450559e+00
Total O = 7.534262e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.837e-06 1.788e-07 -5.547 -6.748 -1.201 15.02
H+ 2.539e-09 3.894e-08 -8.595 -7.410 1.186 0.00
H2O 5.551e+01 6.946e-01 1.744 -0.158 0.000 18.07
Br 3.368e-02
Br- 3.368e-02 4.084e-02 -1.473 -1.389 0.084 27.76
C(4) 4.910e-03
MgCO3 3.608e-03 3.608e-03 -2.443 -2.443 0.000 -17.09
HCO3- 9.626e-04 8.988e-05 -3.017 -4.046 -1.030 49.61
CO3-2 3.365e-04 1.057e-07 -3.473 -6.976 -3.503 12.34
CO2 2.952e-06 1.096e-05 -5.530 -4.960 0.570 30.26
Ca 4.713e-03
Ca+2 4.713e-03 3.714e-02 -2.327 -1.430 0.897 -12.43
Cl 6.140e+00
Cl- 6.140e+00 4.401e+00 0.788 0.644 -0.145 20.58
K 3.581e-01
K+ 3.581e-01 3.815e-01 -0.446 -0.419 0.027 13.05
Mg 2.138e+00
Mg+2 2.133e+00 4.029e+01 0.329 1.605 1.276 -15.91
MgCO3 3.608e-03 3.608e-03 -2.443 -2.443 0.000 -17.09
MgOH+ 1.260e-03 1.116e-03 -2.900 -2.952 -0.053 (0)
Na 2.783e+00
Na+ 2.783e+00 8.441e+00 0.444 0.926 0.482 3.05
S(6) 5.348e-01
SO4-2 5.348e-01 1.466e-03 -0.272 -2.834 -2.562 33.87
HSO4- 6.892e-09 5.440e-09 -8.162 -8.264 -0.103 42.37
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.04 -4.26 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -1.89 -3.67 -1.78 K2SO4
Bischofite -2.51 1.94 4.46 MgCl2:6H2O
Bloedite -0.50 -2.84 -2.35 Na2Mg(SO4)2:4H2O
Brucite -1.01 -11.89 -10.88 Mg(OH)2
Burkeite -6.31 -7.09 -0.77 Na6CO3(SO4)2
Calcite -0.00 -8.41 -8.41 CaCO3
Carnallite -2.16 2.17 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 3.31 -13.78 -17.08 CaMg(CO3)2
Epsomite -0.46 -2.34 -1.88 MgSO4:7H2O
Gaylussite -4.90 -14.32 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.19 -6.00 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.25 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.66 -0.16 1.50 H2O
Halite -0.00 1.57 1.57 NaCl
Hexahydrite -0.54 -2.18 -1.63 MgSO4:6H2O
Kainite -1.29 -1.48 -0.19 KMgClSO4:3H2O
Kalicinite -4.75 -14.80 -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 -56.84 -67.64 -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 -9.74 -14.93 -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 -7.51 -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 -4.96 -1.46 1.000e+01 1.000e+01 3.988e-07
Calcite 0.00 -8.41 -8.41 3.721e-04 3.676e-04 -4.483e-06
Carnallite -2.14 2.19 4.33 0.000e+00 0 0.000e+00
Epsomite -0.40 -2.29 -1.88 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.25 -5.25 2.595e-03 1.885e-03 -7.103e-04
Gypsum 0.00 -4.58 -4.58 2.532e-03 2.471e-03 -6.089e-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 1.401e-04 5.321e-04 3.919e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 3.621e-02 4.401e-04
C 5.615e-03 6.824e-05
Ca 4.391e-03 5.336e-05
Cl 6.125e+00 7.444e-02
K 3.205e-01 3.896e-03
Mg 2.266e+00 2.754e-02
Na 2.632e+00 3.198e-02
S 5.679e-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) = 563609
Density (g/cm3) = 1.24593
Activity of water = 0.690
Ionic strength = 1.022e+01
Mass of water (kg) = 1.215e-02
Total alkalinity (eq/kg) = 1.161e-02
Total CO2 (mol/kg) = 5.615e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.242e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.25
Iterations = 20
Gamma iterations = 6
Osmotic coefficient = 1.72046
Density of water = 0.99706
Total H = 1.349235e+00
Total O = 7.024315e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 3.123e-06 1.773e-07 -5.505 -6.751 -1.246 15.40
H+ 2.411e-09 3.904e-08 -8.618 -7.409 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 4.481e-02 -1.441 -1.349 0.093 27.80
C(4) 5.615e-03
MgCO3 4.185e-03 4.185e-03 -2.378 -2.378 0.000 -17.09
HCO3- 1.020e-03 8.912e-05 -2.991 -4.050 -1.059 50.13
CO3-2 4.072e-04 1.045e-07 -3.390 -6.981 -3.591 12.57
CO2 2.883e-06 1.096e-05 -5.540 -4.960 0.580 30.26
Ca 4.391e-03
Ca+2 4.391e-03 3.754e-02 -2.357 -1.425 0.932 -12.35
Cl 6.125e+00
Cl- 6.125e+00 4.431e+00 0.787 0.647 -0.141 20.61
K 3.205e-01
K+ 3.205e-01 3.497e-01 -0.494 -0.456 0.038 13.11
Mg 2.266e+00
Mg+2 2.260e+00 4.724e+01 0.354 1.674 1.320 -15.81
MgCO3 4.185e-03 4.185e-03 -2.378 -2.378 0.000 -17.09
MgOH+ 1.404e-03 1.297e-03 -2.853 -2.887 -0.034 (0)
Na 2.632e+00
Na+ 2.632e+00 8.384e+00 0.420 0.923 0.503 3.13
S(6) 5.679e-01
SO4-2 5.679e-01 1.468e-03 -0.246 -2.833 -2.587 34.20
HSO4- 6.597e-09 5.460e-09 -8.181 -8.263 -0.082 42.38
------------------------------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 -0.95 -11.83 -10.88 Mg(OH)2
Burkeite -6.33 -7.11 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -2.14 2.19 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 3.37 -13.71 -17.08 CaMg(CO3)2
Epsomite -0.40 -2.29 -1.88 MgSO4:7H2O
Gaylussite -4.92 -14.34 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.31 -6.11 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.25 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.66 -0.16 1.50 H2O
Halite -0.00 1.57 1.57 NaCl
Hexahydrite -0.49 -2.12 -1.63 MgSO4:6H2O
Kainite -1.26 -1.45 -0.19 KMgClSO4:3H2O
Kalicinite -4.79 -14.85 -10.06 KHCO3
Kieserite -1.20 -1.32 -0.12 MgSO4:H2O
Labile_S -0.88 -6.55 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -0.92 -1.80 -0.89 MgSO4:4H2O
Leonite -1.57 -5.55 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.53 -5.31 -7.83 MgCO3
Mirabilite -1.38 -2.60 -1.21 Na2SO4:10H2O
Misenite -57.13 -67.93 -10.81 K8H6(SO4)7
Nahcolite -2.72 -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 -9.74 -14.93 -5.19 Ca(OH)2
Schoenite -1.54 -5.87 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.71 0.19 0.90 KCl
Syngenite -0.72 -8.17 -7.45 K2Ca(SO4)2:H2O
Trona -7.54 -18.92 -11.38 Na3H(CO3)2:2H2O
Reaction step 18.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
5.000e-02 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.03 -4.25 -4.22 0.000e+00 0 0.000e+00
Bischofite -2.38 2.07 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.673e-07
Calcite -0.00 -8.41 -8.41 3.676e-04 3.613e-04 -6.272e-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 1.885e-03 1.171e-03 -7.140e-04
Gypsum 0.00 -4.58 -4.58 2.471e-03 2.460e-03 -1.111e-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 5.321e-04 9.018e-04 3.697e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 3.916e-02 4.401e-04
C 6.588e-03 7.405e-05
Ca 4.027e-03 4.526e-05
Cl 6.108e+00 6.866e-02
K 2.808e-01 3.156e-03
Mg 2.417e+00 2.717e-02
Na 2.458e+00 2.763e-02
S 6.105e-01 6.862e-03
----------------------------Description of solution----------------------------
pH = 7.407 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 571690
Density (g/cm3) = 1.24905
Activity of water = 0.685
Ionic strength = 1.050e+01
Mass of water (kg) = 1.124e-02
Total alkalinity (eq/kg) = 1.367e-02
Total CO2 (mol/kg) = 6.588e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.242e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.34
Iterations = 21
Gamma iterations = 6
Osmotic coefficient = 1.76138
Density of water = 0.99706
Total H = 1.247800e+00
Total O = 6.515728e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 3.491e-06 1.754e-07 -5.457 -6.756 -1.299 15.88
H+ 2.261e-09 3.914e-08 -8.646 -7.407 1.238 0.00
H2O 5.551e+01 6.851e-01 1.744 -0.164 0.000 18.07
Br 3.916e-02
Br- 3.916e-02 4.965e-02 -1.407 -1.304 0.103 27.84
C(4) 6.588e-03
MgCO3 4.982e-03 4.982e-03 -2.303 -2.303 0.000 -17.09
HCO3- 1.096e-03 8.819e-05 -2.960 -4.055 -1.094 50.77
CO3-2 5.074e-04 1.032e-07 -3.295 -6.986 -3.692 12.86
CO2 2.798e-06 1.096e-05 -5.553 -4.960 0.593 30.26
Ca 4.027e-03
Ca+2 4.027e-03 3.804e-02 -2.395 -1.420 0.975 -12.24
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 13.18
Mg 2.417e+00
Mg+2 2.411e+00 5.699e+01 0.382 1.756 1.374 -15.69
MgCO3 4.982e-03 4.982e-03 -2.303 -2.303 0.000 -17.09
MgOH+ 1.594e-03 1.548e-03 -2.798 -2.810 -0.013 (0)
Na 2.458e+00
Na+ 2.458e+00 8.310e+00 0.391 0.920 0.529 3.23
S(6) 6.105e-01
SO4-2 6.105e-01 1.472e-03 -0.214 -2.832 -2.618 34.62
HSO4- 6.283e-09 5.487e-09 -8.202 -8.261 -0.059 42.40
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.03 -4.25 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -2.06 -3.84 -1.78 K2SO4
Bischofite -2.38 2.07 4.46 MgCl2:6H2O
Bloedite -0.38 -2.73 -2.35 Na2Mg(SO4)2:4H2O
Brucite -0.88 -11.76 -10.88 Mg(OH)2
Burkeite -6.36 -7.13 -0.77 Na6CO3(SO4)2
Calcite -0.00 -8.41 -8.41 CaCO3
Carnallite -2.11 2.22 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 3.45 -13.64 -17.08 CaMg(CO3)2
Epsomite -0.35 -2.23 -1.88 MgSO4:7H2O
Gaylussite -4.95 -14.37 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.45 -6.25 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.25 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.67 -0.16 1.50 H2O
Halite -0.00 1.57 1.57 NaCl
Hexahydrite -0.43 -2.06 -1.63 MgSO4:6H2O
Kainite -1.23 -1.42 -0.19 KMgClSO4:3H2O
Kalicinite -4.84 -14.90 -10.06 KHCO3
Kieserite -1.12 -1.24 -0.12 MgSO4:H2O
Labile_S -0.89 -6.57 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -0.85 -1.73 -0.89 MgSO4:4H2O
Leonite -1.59 -5.57 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.60 -5.23 -7.83 MgCO3
Mirabilite -1.42 -2.64 -1.21 Na2SO4:10H2O
Misenite -57.48 -68.28 -10.81 K8H6(SO4)7
Nahcolite -2.73 -13.47 -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 -9.74 -14.93 -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 -0.03 -4.25 -4.22 0.000e+00 0 0.000e+00
Bischofite -2.34 2.12 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 3.251e-07
Calcite 0.00 -8.41 -8.41 3.613e-04 3.563e-04 -5.004e-06
Carnallite -2.09 2.24 4.33 0.000e+00 0 0.000e+00
Epsomite -0.31 -2.19 -1.88 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.25 -5.25 1.171e-03 7.363e-04 -4.345e-04
Gypsum 0.00 -4.58 -4.58 2.460e-03 2.485e-03 2.526e-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 9.018e-04 1.111e-03 2.095e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 4.117e-02 4.401e-04
C 7.364e-03 7.873e-05
Ca 3.787e-03 4.049e-05
Cl 6.098e+00 6.520e-02
K 2.560e-01 2.737e-03
Mg 2.522e+00 2.696e-02
Na 2.342e+00 2.504e-02
S 6.424e-01 6.868e-03
----------------------------Description of solution----------------------------
pH = 7.407 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 577966
Density (g/cm3) = 1.25140
Activity of water = 0.681
Ionic strength = 1.069e+01
Mass of water (kg) = 1.069e-02
Total alkalinity (eq/kg) = 1.531e-02
Total CO2 (mol/kg) = 7.364e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.242e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.39
Iterations = 31
Gamma iterations = 6
Osmotic coefficient = 1.79010
Density of water = 0.99706
Total H = 1.186861e+00
Total O = 6.211404e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 3.765e-06 1.741e-07 -5.424 -6.759 -1.335 16.23
H+ 2.159e-09 3.922e-08 -8.666 -7.407 1.259 0.00
H2O 5.551e+01 6.811e-01 1.744 -0.167 0.000 18.07
Br 4.117e-02
Br- 4.117e-02 5.310e-02 -1.385 -1.275 0.111 27.86
C(4) 7.364e-03
MgCO3 5.617e-03 5.617e-03 -2.250 -2.250 0.000 -17.09
HCO3- 1.155e-03 8.751e-05 -2.938 -4.058 -1.120 51.23
CO3-2 5.890e-04 1.022e-07 -3.230 -6.991 -3.761 13.06
CO2 2.738e-06 1.096e-05 -5.563 -4.960 0.602 30.26
Ca 3.787e-03
Ca+2 3.787e-03 3.841e-02 -2.422 -1.416 1.006 -12.17
Cl 6.098e+00
Cl- 6.098e+00 4.501e+00 0.785 0.653 -0.132 20.66
K 2.560e-01
K+ 2.560e-01 2.931e-01 -0.592 -0.533 0.059 13.23
Mg 2.522e+00
Mg+2 2.514e+00 6.488e+01 0.400 1.812 1.412 -15.61
MgCO3 5.617e-03 5.617e-03 -2.250 -2.250 0.000 -17.09
MgOH+ 1.739e-03 1.749e-03 -2.760 -2.757 0.003 (0)
Na 2.342e+00
Na+ 2.342e+00 8.254e+00 0.370 0.917 0.547 3.30
S(6) 6.424e-01
SO4-2 6.424e-01 1.474e-03 -0.192 -2.831 -2.639 34.91
HSO4- 6.084e-09 5.509e-09 -8.216 -8.259 -0.043 42.41
------------------------------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 -2.12 -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 -0.83 -11.71 -10.88 Mg(OH)2
Burkeite -6.38 -7.15 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -2.09 2.24 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 3.50 -13.58 -17.08 CaMg(CO3)2
Epsomite -0.31 -2.19 -1.88 MgSO4:7H2O
Gaylussite -4.98 -14.40 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.54 -6.34 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.25 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.67 -0.17 1.50 H2O
Halite -0.00 1.57 1.57 NaCl
Hexahydrite -0.39 -2.02 -1.63 MgSO4:6H2O
Kainite -1.21 -1.40 -0.19 KMgClSO4:3H2O
Kalicinite -4.87 -14.93 -10.06 KHCO3
Kieserite -1.06 -1.19 -0.12 MgSO4:H2O
Labile_S -0.90 -6.58 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -0.80 -1.69 -0.89 MgSO4:4H2O
Leonite -1.60 -5.58 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.66 -5.18 -7.83 MgCO3
Mirabilite -1.45 -2.67 -1.21 Na2SO4:10H2O
Misenite -57.72 -68.52 -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 -9.74 -14.93 -5.19 Ca(OH)2
Schoenite -1.59 -5.92 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.78 0.12 0.90 KCl
Syngenite -0.86 -8.31 -7.45 K2Ca(SO4)2:H2O
Trona -7.59 -18.97 -11.38 Na3H(CO3)2:2H2O
Reaction step 20.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
3.000e-02 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.02 -4.24 -4.22 0.000e+00 0 0.000e+00
Bischofite -2.28 2.17 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 3.693e-07
Calcite 0.00 -8.41 -8.41 3.563e-04 3.500e-04 -6.315e-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 -5.24 -5.25 7.363e-04 2.928e-04 -4.435e-04
Gypsum 0.00 -4.58 -4.58 2.485e-03 2.542e-03 5.646e-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 8.349e-03 8.467e-05
Ca 3.530e-03 3.580e-05
Cl 6.088e+00 6.174e-02
K 2.307e-01 2.339e-03
Mg 2.639e+00 2.676e-02
Na 2.216e+00 2.247e-02
S 6.806e-01 6.902e-03
----------------------------Description of solution----------------------------
pH = 7.406 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 585689
Density (g/cm3) = 1.25423
Activity of water = 0.676
Ionic strength = 1.092e+01
Mass of water (kg) = 1.014e-02
Total alkalinity (eq/kg) = 1.739e-02
Total CO2 (mol/kg) = 8.349e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.242e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.45
Iterations = 30
Gamma iterations = 6
Osmotic coefficient = 1.82265
Density of water = 0.99706
Total H = 1.125839e+00
Total O = 5.907855e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 4.091e-06 1.725e-07 -5.388 -6.763 -1.375 16.63
H+ 2.046e-09 3.930e-08 -8.689 -7.406 1.284 0.00
H2O 5.551e+01 6.765e-01 1.744 -0.170 0.000 18.07
Br 4.340e-02
Br- 4.340e-02 5.706e-02 -1.363 -1.244 0.119 27.90
C(4) 8.349e-03
MgCO3 6.425e-03 6.425e-03 -2.192 -2.192 0.000 -17.09
HCO3- 1.227e-03 8.673e-05 -2.911 -4.062 -1.151 51.77
CO3-2 6.938e-04 1.010e-07 -3.159 -6.996 -3.837 13.29
CO2 2.668e-06 1.096e-05 -5.574 -4.960 0.614 30.26
Ca 3.530e-03
Ca+2 3.530e-03 3.884e-02 -2.452 -1.411 1.042 -12.08
Cl 6.088e+00
Cl- 6.088e+00 4.538e+00 0.784 0.657 -0.128 20.68
K 2.307e-01
K+ 2.307e-01 2.700e-01 -0.637 -0.569 0.068 13.29
Mg 2.639e+00
Mg+2 2.630e+00 7.505e+01 0.420 1.875 1.455 -15.50
MgCO3 6.425e-03 6.425e-03 -2.192 -2.192 0.000 -17.09
MgOH+ 1.915e-03 2.005e-03 -2.718 -2.698 0.020 (0)
Na 2.216e+00
Na+ 2.216e+00 8.188e+00 0.346 0.913 0.568 3.39
S(6) 6.806e-01
SO4-2 6.806e-01 1.478e-03 -0.167 -2.830 -2.663 35.26
HSO4- 5.878e-09 5.534e-09 -8.231 -8.257 -0.026 42.42
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.02 -4.24 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -2.19 -3.97 -1.78 K2SO4
Bischofite -2.28 2.17 4.46 MgCl2:6H2O
Bloedite -0.29 -2.64 -2.35 Na2Mg(SO4)2:4H2O
Brucite -0.77 -11.65 -10.88 Mg(OH)2
Burkeite -6.41 -7.18 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -2.07 2.26 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 3.56 -13.53 -17.08 CaMg(CO3)2
Epsomite -0.26 -2.14 -1.88 MgSO4:7H2O
Gaylussite -5.00 -14.42 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.65 -6.45 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.24 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.67 -0.17 1.50 H2O
Halite -0.00 1.57 1.57 NaCl
Hexahydrite -0.34 -1.97 -1.63 MgSO4:6H2O
Kainite -1.18 -1.38 -0.19 KMgClSO4:3H2O
Kalicinite -4.91 -14.97 -10.06 KHCO3
Kieserite -1.00 -1.12 -0.12 MgSO4:H2O
Labile_S -0.92 -6.59 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -0.75 -1.63 -0.89 MgSO4:4H2O
Leonite -1.62 -5.60 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.71 -5.12 -7.83 MgCO3
Mirabilite -1.49 -2.70 -1.21 Na2SO4:10H2O
Misenite -57.99 -68.79 -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 -9.75 -14.94 -5.19 Ca(OH)2
Schoenite -1.61 -5.94 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.81 0.09 0.90 KCl
Syngenite -0.93 -8.38 -7.45 K2Ca(SO4)2:H2O
Trona -7.61 -19.00 -11.38 Na3H(CO3)2:2H2O
Reaction step 21.
Using solution 1. Black Sea water
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
3.000e-02 moles of the following reaction have been added:
Relative
Reactant moles
H2O -1.00000
Relative
Element moles
H -2.00000
O -1.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.01 -4.23 -4.22 0.000e+00 0 0.000e+00
Bischofite -2.22 2.23 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.549e-07
Calcite 0.00 -8.41 -8.41 3.500e-04 3.431e-04 -6.908e-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 2.928e-04 0 -2.928e-04
Gypsum -0.00 -4.58 -4.58 2.542e-03 2.501e-03 -4.133e-05
Halite -0.00 1.57 1.57 2.313e-01 2.345e-01 3.215e-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 1.726e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 4.586e-02 4.401e-04
C 9.496e-03 9.113e-05
Ca 3.294e-03 3.161e-05
Cl 6.099e+00 5.853e-02
K 2.078e-01 1.994e-03
Mg 2.771e+00 2.659e-02
Na 2.068e+00 1.985e-02
S 7.126e-01 6.839e-03
----------------------------Description of solution----------------------------
pH = 7.400 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 595224
Density (g/cm3) = 1.25713
Activity of water = 0.671
Ionic strength = 1.117e+01
Mass of water (kg) = 9.596e-03
Total alkalinity (eq/kg) = 1.981e-02
Total CO2 (mol/kg) = 9.496e-03
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.242e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.52
Iterations = 25
Gamma iterations = 6
Osmotic coefficient = 1.86187
Density of water = 0.99706
Total H = 1.065314e+00
Total O = 5.602887e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 4.445e-06 1.687e-07 -5.352 -6.773 -1.421 17.06
H+ 1.936e-09 3.985e-08 -8.713 -7.400 1.314 0.00
H2O 5.551e+01 6.707e-01 1.744 -0.173 0.000 18.07
Br 4.586e-02
Br- 4.586e-02 6.158e-02 -1.339 -1.211 0.128 27.93
C(4) 9.496e-03
MgCO3 7.375e-03 7.375e-03 -2.132 -2.132 0.000 -17.09
HCO3- 1.301e-03 8.481e-05 -2.886 -4.072 -1.186 52.35
CO3-2 8.174e-04 9.744e-08 -3.088 -7.011 -3.924 13.54
CO2 2.597e-06 1.096e-05 -5.585 -4.960 0.625 30.26
Ca 3.294e-03
Ca+2 3.294e-03 4.027e-02 -2.482 -1.395 1.087 -11.99
Cl 6.099e+00
Cl- 6.099e+00 4.594e+00 0.785 0.662 -0.123 20.70
K 2.078e-01
K+ 2.078e-01 2.501e-01 -0.682 -0.602 0.080 13.36
Mg 2.771e+00
Mg+2 2.761e+00 8.931e+01 0.441 1.951 1.510 -15.39
MgCO3 7.375e-03 7.375e-03 -2.132 -2.132 0.000 -17.09
MgOH+ 2.122e-03 2.333e-03 -2.673 -2.632 0.041 (0)
Na 2.068e+00
Na+ 2.068e+00 8.088e+00 0.316 0.908 0.592 3.48
S(6) 7.126e-01
SO4-2 7.126e-01 1.450e-03 -0.147 -2.839 -2.691 35.63
HSO4- 5.595e-09 5.506e-09 -8.252 -8.259 -0.007 42.44
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.01 -4.23 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -2.27 -4.04 -1.78 K2SO4
Bischofite -2.22 2.23 4.46 MgCl2:6H2O
Bloedite -0.26 -2.60 -2.35 Na2Mg(SO4)2:4H2O
Brucite -0.71 -11.59 -10.88 Mg(OH)2
Burkeite -6.47 -7.24 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -2.04 2.29 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 3.62 -13.47 -17.08 CaMg(CO3)2
Epsomite -0.22 -2.10 -1.88 MgSO4:7H2O
Gaylussite -5.05 -14.47 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.77 -6.57 -3.80 NaK3(SO4)2
Glauberite -0.01 -5.26 -5.25 Na2Ca(SO4)2
Gypsum -0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.68 -0.17 1.50 H2O
Halite -0.00 1.57 1.57 NaCl
Hexahydrite -0.29 -1.93 -1.63 MgSO4:6H2O
Kainite -1.15 -1.35 -0.19 KMgClSO4:3H2O
Kalicinite -4.95 -15.01 -10.06 KHCO3
Kieserite -0.94 -1.06 -0.12 MgSO4:H2O
Labile_S -0.95 -6.63 -5.67 Na4Ca(SO4)3:2H2O
Leonhardite -0.69 -1.58 -0.89 MgSO4:4H2O
Leonite -1.64 -5.62 -3.98 K2Mg(SO4)2:4H2O
Magnesite 2.77 -5.06 -7.83 MgCO3
Mirabilite -1.54 -2.76 -1.21 Na2SO4:10H2O
Misenite -58.28 -69.08 -10.81 K8H6(SO4)7
Nahcolite -2.76 -13.50 -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 -9.75 -14.94 -5.19 Ca(OH)2
Schoenite -1.64 -5.97 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.84 0.06 0.90 KCl
Syngenite -1.00 -8.45 -7.45 K2Ca(SO4)2:H2O
Trona -7.66 -19.05 -11.38 Na3H(CO3)2:2H2O
Reaction step 22.
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 -4.96 -1.46 1.000e+01 1.000e+01 5.948e-07
Calcite 0.00 -8.41 -8.41 3.431e-04 3.366e-04 -6.549e-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 2.501e-03 2.232e-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 1.071e-02 9.708e-05
Ca 3.109e-03 2.817e-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 1.711e-02
S 7.230e-01 6.550e-03
----------------------------Description of solution----------------------------
pH = 7.383 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 606962
Density (g/cm3) = 1.25965
Activity of water = 0.663
Ionic strength = 1.141e+01
Mass of water (kg) = 9.060e-03
Total alkalinity (eq/kg) = 2.243e-02
Total CO2 (mol/kg) = 1.071e-02
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.242e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.59
Iterations = 29
Gamma iterations = 6
Osmotic coefficient = 1.91140
Density of water = 0.99706
Total H = 1.005831e+00
Total O = 5.294120e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 4.788e-06 1.606e-07 -5.320 -6.794 -1.474 17.49
H+ 1.840e-09 4.138e-08 -8.735 -7.383 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 27.97
C(4) 1.071e-02
MgCO3 8.406e-03 8.406e-03 -2.075 -2.075 0.000 -17.09
HCO3- 1.359e-03 8.075e-05 -2.867 -4.093 -1.226 52.92
CO3-2 9.477e-04 8.936e-08 -3.023 -7.049 -4.026 13.79
CO2 2.535e-06 1.096e-05 -5.596 -4.960 0.636 30.26
Ca 3.109e-03
Ca+2 3.109e-03 4.392e-02 -2.507 -1.357 1.150 -11.89
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 2.364e-01 -0.723 -0.626 0.096 13.42
Mg 2.919e+00
Mg+2 2.908e+00 1.110e+02 0.464 2.045 1.582 -15.29
MgCO3 8.406e-03 8.406e-03 -2.075 -2.075 0.000 -17.09
MgOH+ 2.359e-03 2.762e-03 -2.627 -2.559 0.068 (0)
Na 1.888e+00
Na+ 1.888e+00 7.928e+00 0.276 0.899 0.623 3.56
S(6) 7.230e-01
SO4-2 7.230e-01 1.361e-03 -0.141 -2.866 -2.725 36.00
HSO4- 5.174e-09 5.363e-09 -8.286 -8.271 0.016 42.45
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.00 -4.22 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -2.34 -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 -0.66 -11.54 -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 -4.96 -1.46 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 -58.57 -69.37 -10.81 K8H6(SO4)7
Nahcolite -2.79 -13.53 -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 -9.76 -14.95 -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 2.029e-03 2.029e-03
Bischofite -2.06 2.40 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 6.612e-07
Calcite 0.00 -8.41 -8.41 3.366e-04 3.275e-04 -9.109e-06
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 -5.33 -5.25 0.000e+00 0 0.000e+00
Gypsum -0.01 -4.59 -4.58 2.232e-03 0 -2.232e-03
Halite -0.00 1.57 1.57 2.373e-01 2.396e-01 2.309e-03
Hexahydrite -0.22 -1.86 -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 1.730e-03 1.079e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 5.120e-02 4.401e-04
C 1.228e-02 1.055e-04
Ca 2.882e-03 2.477e-05
Cl 6.221e+00 5.348e-02
K 1.745e-01 1.500e-03
Mg 3.064e+00 2.634e-02
Na 1.721e+00 1.480e-02
S 7.354e-01 6.322e-03
----------------------------Description of solution----------------------------
pH = 7.370 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 619896
Density (g/cm3) = 1.26243
Activity of water = 0.655
Ionic strength = 1.167e+01
Mass of water (kg) = 8.596e-03
Total alkalinity (eq/kg) = 2.576e-02
Total CO2 (mol/kg) = 1.228e-02
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.242e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.66
Iterations = 39
Gamma iterations = 7
Osmotic coefficient = 1.96103
Density of water = 0.99706
Total H = 9.543282e-01
Total O = 5.027739e-01
----------------------------Distribution of species----------------------------
MacInnes MacInnes
MacInnes Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 5.174e-06 1.541e-07 -5.286 -6.812 -1.526 17.94
H+ 1.729e-09 4.261e-08 -8.762 -7.370 1.392 0.00
H2O 5.551e+01 6.551e-01 1.744 -0.184 0.000 18.07
Br 5.120e-02
Br- 5.120e-02 7.183e-02 -1.291 -1.144 0.147 28.00
C(4) 1.228e-02
MgCO3 9.732e-03 9.732e-03 -2.012 -2.012 0.000 -17.09
HCO3- 1.435e-03 7.747e-05 -2.843 -4.111 -1.268 53.53
CO3-2 1.107e-03 8.325e-08 -2.956 -7.080 -4.124 14.05
CO2 2.470e-06 1.096e-05 -5.607 -4.960 0.647 30.26
Ca 2.882e-03
Ca+2 2.882e-03 4.714e-02 -2.540 -1.327 1.214 -11.79
Cl 6.221e+00
Cl- 6.221e+00 4.786e+00 0.794 0.680 -0.114 20.75
K 1.745e-01
K+ 1.745e-01 2.259e-01 -0.758 -0.646 0.112 13.48
Mg 3.064e+00
Mg+2 3.052e+00 1.379e+02 0.485 2.140 1.655 -15.17
MgCO3 9.732e-03 9.732e-03 -2.012 -2.012 0.000 -17.09
MgOH+ 2.643e-03 3.292e-03 -2.578 -2.482 0.095 (0)
Na 1.721e+00
Na+ 1.721e+00 7.763e+00 0.236 0.890 0.654 3.66
S(6) 7.354e-01
SO4-2 7.354e-01 1.280e-03 -0.133 -2.893 -2.759 36.38
HSO4- 4.774e-09 5.197e-09 -8.321 -8.284 0.037 42.47
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite 0.00 -4.22 -4.22 CaSO4
Aragonite -0.19 -8.41 -8.22 CaCO3
Arcanite -2.41 -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 -0.60 -11.48 -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 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
Dolomite 3.74 -13.35 -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 -3.03 -6.83 -3.80 NaK3(SO4)2
Glauberite -0.09 -5.33 -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 -1.86 -1.63 MgSO4:6H2O
Kainite -1.08 -1.27 -0.19 KMgClSO4:3H2O
Kalicinite -5.04 -15.10 -10.06 KHCO3
Kieserite -0.81 -0.94 -0.12 MgSO4:H2O
Labile_S -1.14 -6.81 -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 2.89 -4.94 -7.83 MgCO3
Mirabilite -1.74 -2.95 -1.21 Na2SO4:10H2O
Misenite -58.84 -69.64 -10.81 K8H6(SO4)7
Nahcolite -2.82 -13.56 -10.74 NaHCO3
Natron -6.31 -7.14 -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 -9.76 -14.95 -5.19 Ca(OH)2
Schoenite -1.71 -6.04 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.87 0.03 0.90 KCl
Syngenite -1.14 -8.59 -7.45 K2Ca(SO4)2:H2O
Trona -7.84 -19.23 -11.38 Na3H(CO3)2:2H2O
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 2.
------------------------------------
------------------------------
End of Run after 0.89 Seconds.
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