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Input file: C:\Users\Capybara\Desktop\tugas\Negara Maju.

pqi
Output file: C:\Users\Capybara\Desktop\tugas\Negara Maju.pqo
Database file: C:\Program Files (x86)\USGS\Phreeqc Interactive 3.7.3-15968\database
\phreeqc.dat

------------------
Reading data base.
------------------

SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES
SURFACE_SPECIES
RATES
END
------------------------------------
Reading input data for simulation 1.
------------------------------------

DATABASE C:\Program Files (x86)\USGS\Phreeqc Interactive 3.7.3-15968\database


\phreeqc.dat
TITLE Negara Maju
SOLUTION_SPREAD
Na K Ca Mg Cl C S(6)
13,7 1,6 13,3 96,0 13,4 439,0 40,4
25,3 16,5 20,8 100,0 26,9 293,0 61,7
7,1 1,4 11,6 82,0 7,9 378,0 16,7
14,8 1,7 12,1 68,0 12,6 329,0 16,0
16,1 1,7 16,4 90,0 15,3 451,0 45,7
-----
TITLE
-----

Negara Maju

-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------

Initial solution 1.

-----------------------------Solution composition------------------------------

Elements Molality Moles

C 4.390e-01 4.390e-01
Ca 1.300e-02 1.300e-02
Cl 1.300e-02 1.300e-02
K 1.000e-03 1.000e-03
Mg 9.600e-02 9.600e-02
Na 1.300e-02 1.300e-02
S(6) 4.000e-02 4.000e-02

----------------------------Description of solution----------------------------

pH = 7.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 16884
Density (g/cm³) = 1.01956
Volume (L) = 1.01360
Activity of water = 0.991
Ionic strength (mol/kgw) = 3.371e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.905e-01
Total CO2 (mol/kg) = 4.390e-01
Temperature (°C) = 25.00
Electrical balance (eq) = -2.515e-01
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -46.32
Iterations = 9
Total H = 1.113993e+02
Total O = 5.693293e+01

----------------------------Distribution of species----------------------------

Log Log Log mole V


Species Molality Activity Molality Activity Gamma cm³/mol

OH- 1.509e-07 1.003e-07 -6.821 -6.999 -0.178 -3.22


H+ 1.285e-07 1.000e-07 -6.891 -7.000 -0.109 0.00
H2O 5.551e+01 9.907e-01 1.744 -0.004 0.000 18.07
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -64.901 -64.867 0.034 35.46
C(4) 4.390e-01
HCO3- 3.344e-01 2.390e-01 -0.476 -0.622 -0.146 25.98
CO2 5.019e-02 5.424e-02 -1.299 -1.266 0.034 34.43
MgHCO3+ 4.532e-02 3.078e-02 -1.344 -1.512 -0.168 5.76
CaHCO3+ 6.136e-03 4.465e-03 -2.212 -2.350 -0.138 9.91
MgCO3 1.089e-03 1.177e-03 -2.963 -2.929 0.034 -17.09
NaHCO3 1.046e-03 1.131e-03 -2.980 -2.947 0.034 1.80
CO3-2 4.296e-04 1.121e-04 -3.367 -3.950 -0.584 -3.04
CaCO3 2.551e-04 2.757e-04 -3.593 -3.560 0.034 -14.60
(CO2)2 4.997e-05 5.400e-05 -4.301 -4.268 0.034 68.87
NaCO3- 2.401e-05 1.756e-05 -4.620 -4.755 -0.136 1.07
Ca 1.300e-02
CaHCO3+ 6.136e-03 4.465e-03 -2.212 -2.350 -0.138 9.91
Ca+2 5.204e-03 1.464e-03 -2.284 -2.834 -0.551 -17.01
CaSO4 1.405e-03 1.518e-03 -2.852 -2.819 0.034 7.50
CaCO3 2.551e-04 2.757e-04 -3.593 -3.560 0.034 -14.60
CaOH+ 3.291e-09 2.408e-09 -8.483 -8.618 -0.136 (0)
CaHSO4+ 1.364e-09 9.979e-10 -8.865 -9.001 -0.136 (0)
Cl 1.300e-02
Cl- 1.300e-02 8.804e-03 -1.886 -2.055 -0.169 18.58
H(0) 1.310e-25
H2 6.551e-26 7.079e-26 -25.184 -25.150 0.034 28.61
K 1.000e-03
K+ 9.629e-04 6.472e-04 -3.016 -3.189 -0.173 9.45
KSO4- 3.710e-05 2.651e-05 -4.431 -4.577 -0.146 34.62
Mg 9.600e-02
MgHCO3+ 4.532e-02 3.078e-02 -1.344 -1.512 -0.168 5.76
Mg+2 3.567e-02 1.101e-02 -1.448 -1.958 -0.511 -20.73
MgSO4 1.392e-02 1.504e-02 -1.856 -1.823 0.034 5.84
MgCO3 1.089e-03 1.177e-03 -2.963 -2.929 0.034 -17.09
MgOH+ 5.368e-07 3.959e-07 -6.270 -6.402 -0.132 (0)
Na 1.300e-02
Na+ 1.159e-02 8.414e-03 -1.936 -2.075 -0.139 -0.78
NaHCO3 1.046e-03 1.131e-03 -2.980 -2.947 0.034 1.80
NaSO4- 3.440e-04 2.459e-04 -3.463 -3.609 -0.146 18.84
NaCO3- 2.401e-05 1.756e-05 -4.620 -4.755 -0.136 1.07
NaOH 7.808e-20 8.438e-20 -19.107 -19.074 0.034 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.122 -42.088 0.034 30.40
S(6) 4.000e-02
SO4-2 2.429e-02 5.830e-03 -1.615 -2.234 -0.620 16.58
MgSO4 1.392e-02 1.504e-02 -1.856 -1.823 0.034 5.84
CaSO4 1.405e-03 1.518e-03 -2.852 -2.819 0.034 7.50
NaSO4- 3.440e-04 2.459e-04 -3.463 -3.609 -0.146 18.84
KSO4- 3.710e-05 2.651e-05 -4.431 -4.577 -0.146 34.62
HSO4- 7.749e-08 5.669e-08 -7.111 -7.247 -0.136 40.77
CaHSO4+ 1.364e-09 9.979e-10 -8.865 -9.001 -0.136 (0)

------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)

Anhydrite -0.79 -5.07 -4.28 CaSO4


Aragonite 1.55 -6.78 -8.34 CaCO3
Calcite 1.70 -6.78 -8.48 CaCO3
CH4(g) -62.07 -64.87 -2.80 CH4
CO2(g) 0.20 -1.27 -1.47 CO2
Dolomite 4.39 -12.69 -17.08 CaMg(CO3)2
Gypsum -0.49 -5.08 -4.58 CaSO4:2H2O
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.51 -0.00 1.50 H2O
Halite -5.70 -4.13 1.57 NaCl
O2(g) -39.20 -42.09 -2.89 O2
Sylvite -6.14 -5.24 0.90 KCl

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.


For ideal gases, phi = 1.

Initial solution 2.

-----------------------------Solution composition------------------------------

Elements Molality Moles

C 2.930e-01 2.930e-01
Ca 2.000e-02 2.000e-02
Cl 2.600e-02 2.600e-02
K 1.600e-02 1.600e-02
Mg 1.000e-01 1.000e-01
Na 2.500e-02 2.500e-02
S(6) 6.100e-02 6.100e-02

----------------------------Description of solution----------------------------

pH = 7.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 17086
Density (g/cm³) = 1.01807
Volume (L) = 1.01028
Activity of water = 0.992
Ionic strength (mol/kgw) = 3.310e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.619e-01
Total CO2 (mol/kg) = 2.930e-01
Temperature (°C) = 25.00
Electrical balance (eq) = -1.289e-01
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -26.16
Iterations = 10 (19 overall)
Total H = 1.112715e+02
Total O = 5.659669e+01

----------------------------Distribution of species----------------------------

Log Log Log mole V


Species Molality Activity Molality Activity Gamma cm³/mol

OH- 1.508e-07 1.004e-07 -6.822 -6.998 -0.177 -3.23


H+ 1.284e-07 1.000e-07 -6.891 -7.000 -0.109 0.00
H2O 5.551e+01 9.920e-01 1.744 -0.003 0.000 18.07
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -65.091 -65.058 0.033 35.46
C(4) 2.930e-01
HCO3- 2.161e-01 1.547e-01 -0.665 -0.811 -0.145 25.96
MgHCO3+ 3.455e-02 2.352e-02 -1.462 -1.629 -0.167 5.76
CO2 3.249e-02 3.506e-02 -1.488 -1.455 0.033 34.43
CaHCO3+ 7.052e-03 5.138e-03 -2.152 -2.289 -0.138 9.91
NaHCO3 1.331e-03 1.436e-03 -2.876 -2.843 0.033 1.80
MgCO3 8.334e-04 8.994e-04 -3.079 -3.046 0.033 -17.09
CaCO3 2.940e-04 3.173e-04 -3.532 -3.499 0.033 -14.60
CO3-2 2.764e-04 7.254e-05 -3.559 -4.139 -0.581 -3.06
NaCO3- 3.047e-05 2.230e-05 -4.516 -4.652 -0.136 1.04
(CO2)2 2.090e-05 2.256e-05 -4.680 -4.647 0.033 68.87
Ca 2.000e-02
Ca+2 9.213e-03 2.603e-03 -2.036 -2.584 -0.549 -17.02
CaHCO3+ 7.052e-03 5.138e-03 -2.152 -2.289 -0.138 9.91
CaSO4 3.441e-03 3.714e-03 -2.463 -2.430 0.033 7.50
CaCO3 2.940e-04 3.173e-04 -3.532 -3.499 0.033 -14.60
CaOH+ 5.857e-09 4.286e-09 -8.232 -8.368 -0.136 (0)
CaHSO4+ 3.336e-09 2.441e-09 -8.477 -8.612 -0.136 (0)
Cl 2.600e-02
Cl- 2.600e-02 1.764e-02 -1.585 -1.753 -0.168 18.57
H(0) 1.312e-25
H2 6.560e-26 7.079e-26 -25.183 -25.150 0.033 28.61
K 1.600e-02
K+ 1.519e-02 1.023e-02 -1.818 -1.990 -0.172 9.45
KSO4- 8.058e-04 5.768e-04 -3.094 -3.239 -0.145 34.62
Mg 1.000e-01
Mg+2 4.198e-02 1.299e-02 -1.377 -1.886 -0.509 -20.74
MgHCO3+ 3.455e-02 2.352e-02 -1.462 -1.629 -0.167 5.76
MgSO4 2.264e-02 2.443e-02 -1.645 -1.612 0.033 5.84
MgCO3 8.334e-04 8.994e-04 -3.079 -3.046 0.033 -17.09
MgOH+ 6.337e-07 4.680e-07 -6.198 -6.330 -0.132 (0)
Na 2.500e-02
Na+ 2.271e-02 1.651e-02 -1.644 -1.782 -0.139 -0.78
NaHCO3 1.331e-03 1.436e-03 -2.876 -2.843 0.033 1.80
NaSO4- 9.272e-04 6.637e-04 -3.033 -3.178 -0.145 18.79
NaCO3- 3.047e-05 2.230e-05 -4.516 -4.652 -0.136 1.04
NaOH 1.536e-19 1.658e-19 -18.814 -18.781 0.033 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.120 -42.087 0.033 30.40
S(6) 6.100e-02
SO4-2 3.319e-02 8.022e-03 -1.479 -2.096 -0.617 16.56
MgSO4 2.264e-02 2.443e-02 -1.645 -1.612 0.033 5.84
CaSO4 3.441e-03 3.714e-03 -2.463 -2.430 0.033 7.50
NaSO4- 9.272e-04 6.637e-04 -3.033 -3.178 -0.145 18.79
KSO4- 8.058e-04 5.768e-04 -3.094 -3.239 -0.145 34.62
HSO4- 1.066e-07 7.799e-08 -6.972 -7.108 -0.136 40.76
CaHSO4+ 3.336e-09 2.441e-09 -8.477 -8.612 -0.136 (0)

------------------------------Saturation indices-------------------------------

Phase SI** log IAP log K(298 K, 1 atm)

Anhydrite -0.40 -4.68 -4.28 CaSO4


Aragonite 1.61 -6.72 -8.34 CaCO3
Calcite 1.76 -6.72 -8.48 CaCO3
CH4(g) -62.26 -65.06 -2.80 CH4
CO2(g) 0.01 -1.46 -1.47 CO2
Dolomite 4.33 -12.75 -17.08 CaMg(CO3)2
Gypsum -0.10 -4.69 -4.58 CaSO4:2H2O
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.51 -0.00 1.50 H2O
Halite -5.11 -3.54 1.57 NaCl
O2(g) -39.19 -42.09 -2.89 O2
Sylvite -4.64 -3.74 0.90 KCl

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.


For ideal gases, phi = 1.

Initial solution 3.

-----------------------------Solution composition------------------------------
Elements Molality Moles

C 3.780e-01 3.780e-01
Ca 1.100e-02 1.100e-02
Cl 7.000e-03 7.000e-03
K 1.000e-03 1.000e-03
Mg 8.200e-02 8.200e-02
Na 7.000e-03 7.000e-03
S(6) 1.600e-02 1.600e-02

----------------------------Description of solution----------------------------

pH = 7.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 13753
Density (g/cm³) = 1.01491
Volume (L) = 1.01165
Activity of water = 0.992
Ionic strength (mol/kgw) = 2.727e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.352e-01
Total CO2 (mol/kg) = 3.780e-01
Temperature (°C) = 25.00
Electrical balance (eq) = -1.802e-01
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -40.43
Iterations = 9 (28 overall)
Total H = 1.113444e+02
Total O = 5.665980e+01

----------------------------Distribution of species----------------------------

Log Log Log mole V


Species Molality Activity Molality Activity Gamma cm³/mol

OH- 1.473e-07 1.004e-07 -6.832 -6.998 -0.166 -3.35


H+ 1.273e-07 1.000e-07 -6.895 -7.000 -0.105 0.00
H2O 5.551e+01 9.924e-01 1.744 -0.003 0.000 18.07
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -64.956 -64.929 0.027 35.46
C(4) 3.780e-01
HCO3- 2.865e-01 2.084e-01 -0.543 -0.681 -0.138 25.77
CO2 4.434e-02 4.722e-02 -1.353 -1.326 0.027 34.43
MgHCO3+ 3.971e-02 2.760e-02 -1.401 -1.559 -0.158 5.74
CaHCO3+ 5.253e-03 3.883e-03 -2.280 -2.411 -0.131 9.90
MgCO3 9.914e-04 1.056e-03 -3.004 -2.976 0.027 -17.09
NaHCO3 5.165e-04 5.500e-04 -3.287 -3.260 0.027 1.80
CO3-2 3.492e-04 9.773e-05 -3.457 -4.010 -0.553 -3.29
CaCO3 2.252e-04 2.398e-04 -3.647 -3.620 0.027 -14.60
(CO2)2 3.843e-05 4.092e-05 -4.415 -4.388 0.027 68.87
NaCO3- 1.161e-05 8.540e-06 -4.935 -5.069 -0.133 0.71
Ca 1.100e-02
CaHCO3+ 5.253e-03 3.883e-03 -2.280 -2.411 -0.131 9.90
Ca+2 4.931e-03 1.460e-03 -2.307 -2.836 -0.528 -17.10
CaSO4 5.899e-04 6.282e-04 -3.229 -3.202 0.027 7.50
CaCO3 2.252e-04 2.398e-04 -3.647 -3.620 0.027 -14.60
CaOH+ 3.269e-09 2.405e-09 -8.486 -8.619 -0.133 (0)
CaHSO4+ 5.612e-10 4.129e-10 -9.251 -9.384 -0.133 (0)
Cl 7.000e-03
Cl- 7.000e-03 4.848e-03 -2.155 -2.314 -0.159 18.53
H(0) 1.330e-25
H2 6.649e-26 7.079e-26 -25.177 -25.150 0.027 28.61
K 1.000e-03
K+ 9.842e-04 6.772e-04 -3.007 -3.169 -0.162 9.40
KSO4- 1.582e-05 1.151e-05 -4.801 -4.939 -0.138 34.57
Mg 8.200e-02
MgHCO3+ 3.971e-02 2.760e-02 -1.401 -1.559 -0.158 5.74
Mg+2 3.527e-02 1.132e-02 -1.453 -1.946 -0.494 -20.81
MgSO4 6.027e-03 6.418e-03 -2.220 -2.193 0.027 5.84
MgCO3 9.914e-04 1.056e-03 -3.004 -2.976 0.027 -17.09
MgOH+ 5.450e-07 4.078e-07 -6.264 -6.390 -0.126 (0)
Na 7.000e-03
Na+ 6.394e-03 4.693e-03 -2.194 -2.329 -0.134 -0.84
NaHCO3 5.165e-04 5.500e-04 -3.287 -3.260 0.027 1.80
NaSO4- 7.821e-05 5.689e-05 -4.107 -4.245 -0.138 18.28
NaCO3- 1.161e-05 8.540e-06 -4.935 -5.069 -0.133 0.71
NaOH 4.427e-20 4.714e-20 -19.354 -19.327 0.027 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.114 -42.087 0.027 30.40
S(6) 1.600e-02
SO4-2 9.289e-03 2.419e-03 -2.032 -2.616 -0.584 16.36
MgSO4 6.027e-03 6.418e-03 -2.220 -2.193 0.027 5.84
CaSO4 5.899e-04 6.282e-04 -3.229 -3.202 0.027 7.50
NaSO4- 7.821e-05 5.689e-05 -4.107 -4.245 -0.138 18.28
KSO4- 1.582e-05 1.151e-05 -4.801 -4.939 -0.138 34.57
HSO4- 3.196e-08 2.352e-08 -7.495 -7.629 -0.133 40.72
CaHSO4+ 5.612e-10 4.129e-10 -9.251 -9.384 -0.133 (0)

------------------------------Saturation indices-------------------------------

Phase SI** log IAP log K(298 K, 1 atm)

Anhydrite -1.17 -5.45 -4.28 CaSO4


Aragonite 1.49 -6.85 -8.34 CaCO3
Calcite 1.63 -6.85 -8.48 CaCO3
CH4(g) -62.13 -64.93 -2.80 CH4
CO2(g) 0.14 -1.33 -1.47 CO2
Dolomite 4.28 -12.80 -17.08 CaMg(CO3)2
Gypsum -0.88 -5.46 -4.58 CaSO4:2H2O
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.51 -0.00 1.50 H2O
Halite -6.21 -4.64 1.57 NaCl
O2(g) -39.19 -42.09 -2.89 O2
Sylvite -6.38 -5.48 0.90 KCl

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.


For ideal gases, phi = 1.

Initial solution 4.

-----------------------------Solution composition------------------------------

Elements Molality Moles

C 3.290e-01 3.290e-01
Ca 1.200e-02 1.200e-02
Cl 1.200e-02 1.200e-02
K 1.000e-03 1.000e-03
Mg 6.800e-02 6.800e-02
Na 1.400e-02 1.400e-02
S(6) 1.600e-02 1.600e-02

----------------------------Description of solution----------------------------

pH = 7.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 13069
Density (g/cm³) = 1.01305
Volume (L) = 1.01067
Activity of water = 0.993
Ionic strength (mol/kgw) = 2.489e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.909e-01
Total CO2 (mol/kg) = 3.290e-01
Temperature (°C) = 25.00
Electrical balance (eq) = -1.599e-01
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -39.43
Iterations = 10 (38 overall)
Total H = 1.113007e+02
Total O = 5.651781e+01

----------------------------Distribution of species----------------------------

Log Log Log mole V


Species Molality Activity Molality Activity Gamma cm³/mol

OH- 1.459e-07 1.005e-07 -6.836 -6.998 -0.162 -3.40


H+ 1.267e-07 1.000e-07 -6.897 -7.000 -0.103 0.00
H2O 5.551e+01 9.931e-01 1.744 -0.003 0.000 18.07
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -65.009 -64.984 0.025 35.46
C(4) 3.290e-01
HCO3- 2.511e-01 1.840e-01 -0.600 -0.735 -0.135 25.70
CO2 3.934e-02 4.166e-02 -1.405 -1.380 0.025 34.43
MgHCO3+ 3.083e-02 2.164e-02 -1.511 -1.665 -0.154 5.73
CaHCO3+ 5.395e-03 4.015e-03 -2.268 -2.396 -0.128 9.89
NaHCO3 9.289e-04 9.837e-04 -3.032 -3.007 0.025 1.80
MgCO3 7.815e-04 8.276e-04 -3.107 -3.082 0.025 -17.09
CO3-2 2.992e-04 8.630e-05 -3.524 -4.064 -0.540 -3.39
CaCO3 2.341e-04 2.479e-04 -3.631 -3.606 0.025 -14.60
(CO2)2 3.009e-05 3.186e-05 -4.522 -4.497 0.025 68.87
NaCO3- 2.069e-05 1.528e-05 -4.684 -4.816 -0.132 0.58
Ca 1.200e-02
Ca+2 5.641e-03 1.710e-03 -2.249 -2.767 -0.518 -17.13
CaHCO3+ 5.395e-03 4.015e-03 -2.268 -2.396 -0.128 9.89
CaSO4 7.301e-04 7.731e-04 -3.137 -3.112 0.025 7.50
CaCO3 2.341e-04 2.479e-04 -3.631 -3.606 0.025 -14.60
CaOH+ 3.816e-09 2.818e-09 -8.418 -8.550 -0.132 (0)
CaHSO4+ 6.882e-10 5.082e-10 -9.162 -9.294 -0.132 (0)
Cl 1.200e-02
Cl- 1.200e-02 8.392e-03 -1.921 -2.076 -0.155 18.50
H(0) 1.337e-25
H2 6.685e-26 7.079e-26 -25.175 -25.150 0.025 28.61
K 1.000e-03
K+ 9.833e-04 6.835e-04 -3.007 -3.165 -0.158 9.38
KSO4- 1.666e-05 1.221e-05 -4.778 -4.913 -0.135 34.55
Mg 6.800e-02
MgHCO3+ 3.083e-02 2.164e-02 -1.511 -1.665 -0.154 5.73
Mg+2 3.074e-02 1.005e-02 -1.512 -1.998 -0.486 -20.84
MgSO4 5.656e-03 5.989e-03 -2.248 -2.223 0.025 5.84
MgCO3 7.815e-04 8.276e-04 -3.107 -3.082 0.025 -17.09
MgOH+ 4.812e-07 3.623e-07 -6.318 -6.441 -0.123 (0)
Na 1.400e-02
Na+ 1.289e-02 9.506e-03 -1.890 -2.022 -0.132 -0.87
NaHCO3 9.289e-04 9.837e-04 -3.032 -3.007 0.025 1.80
NaSO4- 1.653e-04 1.211e-04 -3.782 -3.917 -0.135 18.05
NaCO3- 2.069e-05 1.528e-05 -4.684 -4.816 -0.132 0.58
NaOH 9.023e-20 9.555e-20 -19.045 -19.020 0.025 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.111 -42.086 0.025 30.40
S(6) 1.600e-02
SO4-2 9.432e-03 2.542e-03 -2.025 -2.595 -0.569 16.28
MgSO4 5.656e-03 5.989e-03 -2.248 -2.223 0.025 5.84
CaSO4 7.301e-04 7.731e-04 -3.137 -3.112 0.025 7.50
NaSO4- 1.653e-04 1.211e-04 -3.782 -3.917 -0.135 18.05
KSO4- 1.666e-05 1.221e-05 -4.778 -4.913 -0.135 34.55
HSO4- 3.347e-08 2.472e-08 -7.475 -7.607 -0.132 40.70
CaHSO4+ 6.882e-10 5.082e-10 -9.162 -9.294 -0.132 (0)

------------------------------Saturation indices-------------------------------

Phase SI** log IAP log K(298 K, 1 atm)


Anhydrite -1.08 -5.36 -4.28 CaSO4
Aragonite 1.51 -6.83 -8.34 CaCO3
Calcite 1.65 -6.83 -8.48 CaCO3
CH4(g) -62.18 -64.98 -2.80 CH4
CO2(g) 0.09 -1.38 -1.47 CO2
Dolomite 4.19 -12.89 -17.08 CaMg(CO3)2
Gypsum -0.79 -5.37 -4.58 CaSO4:2H2O
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.51 -0.00 1.50 H2O
Halite -5.67 -4.10 1.57 NaCl
O2(g) -39.19 -42.09 -2.89 O2
Sylvite -6.14 -5.24 0.90 KCl

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.


For ideal gases, phi = 1.

Initial solution 5.

-----------------------------Solution composition------------------------------

Elements Molality Moles

C 4.510e-01 4.510e-01
Ca 1.600e-02 1.600e-02
Cl 1.500e-02 1.500e-02
K 1.000e-03 1.000e-03
Mg 9.000e-02 9.000e-02
Na 1.600e-02 1.600e-02
S(6) 4.500e-02 4.500e-02

----------------------------Description of solution----------------------------

pH = 7.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 17593
Density (g/cm³) = 1.02031
Volume (L) = 1.01413
Activity of water = 0.990
Ionic strength (mol/kgw) = 3.478e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 4.010e-01
Total CO2 (mol/kg) = 4.510e-01
Temperature (°C) = 25.00
Electrical balance (eq) = -2.770e-01
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -49.36
Iterations = 9 (47 overall)
Total H = 1.114098e+02
Total O = 5.698740e+01

----------------------------Distribution of species----------------------------

Log Log Log mole V


Species Molality Activity Molality Activity Gamma cm³/mol

OH- 1.515e-07 1.002e-07 -6.820 -6.999 -0.179 -3.20


H+ 1.287e-07 1.000e-07 -6.890 -7.000 -0.110 0.00
H2O 5.551e+01 9.904e-01 1.744 -0.004 0.000 18.07
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -64.888 -64.853 0.035 35.46
C(4) 4.510e-01
HCO3- 3.462e-01 2.468e-01 -0.461 -0.608 -0.147 26.01
CO2 5.171e-02 5.602e-02 -1.286 -1.252 0.035 34.43
MgHCO3+ 4.232e-02 2.864e-02 -1.373 -1.543 -0.169 5.76
CaHCO3+ 7.548e-03 5.480e-03 -2.122 -2.261 -0.139 9.92
NaHCO3 1.317e-03 1.426e-03 -2.881 -2.846 0.035 1.80
MgCO3 1.011e-03 1.096e-03 -2.995 -2.960 0.035 -17.09
CO3-2 4.482e-04 1.157e-04 -3.349 -3.937 -0.588 -3.00
CaCO3 3.123e-04 3.384e-04 -3.505 -3.471 0.035 -14.60
(CO2)2 5.318e-05 5.761e-05 -4.274 -4.239 0.035 68.87
NaCO3- 3.029e-05 2.215e-05 -4.519 -4.655 -0.136 1.13
Ca 1.600e-02
CaHCO3+ 7.548e-03 5.480e-03 -2.122 -2.261 -0.139 9.92
Ca+2 6.229e-03 1.740e-03 -2.206 -2.759 -0.554 -17.00
CaSO4 1.911e-03 2.070e-03 -2.719 -2.684 0.035 7.50
CaCO3 3.123e-04 3.384e-04 -3.505 -3.471 0.035 -14.60
CaOH+ 3.912e-09 2.861e-09 -8.408 -8.544 -0.136 (0)
CaHSO4+ 1.861e-09 1.361e-09 -8.730 -8.866 -0.136 (0)
Cl 1.500e-02
Cl- 1.500e-02 1.013e-02 -1.824 -1.995 -0.171 18.59
H(0) 1.307e-25
H2 6.535e-26 7.079e-26 -25.185 -25.150 0.035 28.61
K 1.000e-03
K+ 9.577e-04 6.415e-04 -3.019 -3.193 -0.174 9.46
KSO4- 4.229e-05 3.015e-05 -4.374 -4.521 -0.147 34.63
Mg 9.000e-02
MgHCO3+ 4.232e-02 2.864e-02 -1.373 -1.543 -0.169 5.76
Mg+2 3.232e-02 9.920e-03 -1.491 -2.004 -0.513 -20.72
MgSO4 1.436e-02 1.555e-02 -1.843 -1.808 0.035 5.84
MgCO3 1.011e-03 1.096e-03 -2.995 -2.960 0.035 -17.09
MgOH+ 4.847e-07 3.567e-07 -6.315 -6.448 -0.133 (0)
Na 1.600e-02
Na+ 1.417e-02 1.028e-02 -1.849 -1.988 -0.139 -0.76
NaHCO3 1.317e-03 1.426e-03 -2.881 -2.846 0.035 1.80
NaSO4- 4.833e-04 3.445e-04 -3.316 -3.463 -0.147 18.93
NaCO3- 3.029e-05 2.215e-05 -4.519 -4.655 -0.136 1.13
NaOH 9.510e-20 1.030e-19 -19.022 -18.987 0.035 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.123 -42.088 0.035 30.40
S(6) 4.500e-02
SO4-2 2.821e-02 6.688e-03 -1.550 -2.175 -0.625 16.62
MgSO4 1.436e-02 1.555e-02 -1.843 -1.808 0.035 5.84
CaSO4 1.911e-03 2.070e-03 -2.719 -2.684 0.035 7.50
NaSO4- 4.833e-04 3.445e-04 -3.316 -3.463 -0.147 18.93
KSO4- 4.229e-05 3.015e-05 -4.374 -4.521 -0.147 34.63
HSO4- 8.894e-08 6.503e-08 -7.051 -7.187 -0.136 40.77
CaHSO4+ 1.861e-09 1.361e-09 -8.730 -8.866 -0.136 (0)

------------------------------Saturation indices-------------------------------

Phase SI** log IAP log K(298 K, 1 atm)

Anhydrite -0.66 -4.93 -4.28 CaSO4


Aragonite 1.64 -6.70 -8.34 CaCO3
Calcite 1.78 -6.70 -8.48 CaCO3
CH4(g) -62.05 -64.85 -2.80 CH4
CO2(g) 0.22 -1.25 -1.47 CO2
Dolomite 4.45 -12.64 -17.08 CaMg(CO3)2
Gypsum -0.36 -4.94 -4.58 CaSO4:2H2O
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.51 -0.00 1.50 H2O
Halite -5.55 -3.98 1.57 NaCl
O2(g) -39.20 -42.09 -2.89 O2
Sylvite -6.09 -5.19 0.90 KCl

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.


For ideal gases, phi = 1.

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End of simulation.
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Reading input data for simulation 2.
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End of Run after 0.101 Seconds.
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