Input file : C:\Users\Akshay\Desktop\Honours\Phrqc1.

pqi

Output file: C:\Users\Akshay\Desktop\Honours\Phrqc1.pqo Database file:

C:\Program Files (x86)\Phreeqc\Databases\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.

------------------------------------

SOLUTION 1

units
mg/l
pH
6.4
Ca
8.5
Mg
2.2
Na
6.3
K
2.2
Alkalinity
49.3
S(6)
4.7
Cl
1.7
N(5)
4.1
Si
23
redox
pe
pe
4
SOLUTION 2

units
mg/l
pH
7.6
Ca
98
Mg
32
Na
30
K
5.1
Alkalinity
141
S(6)
47
Cl
90
Si
45
N(5)
93
redox
pe
pe
4

INVERSE_MODELING
solutions 1 2 uncertainty 0.2 range

multiple_precision false phases

Halite

Kaolinite

Ca-montmorillonite

Calcite Chalcedony

Plagioclase K-feldspar

K-mica

Albite

Quartz

Anhydrite

balances
0.3
0.3

Ca

N(5)
0.2
0.3

Cl
0.5
0.3

Mg
0.5
0.5

PHASES
Halite

NaCl = Na+ + Cl-

log_k 0.0

Biotite

KMg3AlSi3O10(OH)2 + 6H+ + 4H2O = K+ + 3Mg+2 + Al(OH)4- +

3H4SiO4

log_k 0.0 Plagioclase

Na0.62Ca0.37Al1.38Si2.625O8 + 5.5 H+ + 2.5H2O = 0.62Na+ + 0.37Ca+2 + 1.38Al+3 + 2.625H4SiO4

log_k 0.0

END

-------------------------------------------

Beginning of initial solution calculations.

-------------------------------------------

Initial solution 1.

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

Elements
Molality
Moles

Alkalinity
9.852e-04 9.852e-04
Ca
2.121e-04 2.121e-04

Cl
4.796e-05 4.796e-05

K
5.627e-05
5.627e-05

Mg
9.050e-05
9.050e-05

N(5)
2.927e-04
2.927e-04
Na
2.741e-04
2.741e-04
S(6)
4.893e-05
4.893e-05
Si
3.828e-04
3.828e-04

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

----

pH
=
6.400
pe
=
4.000
Specific Conductance (uS/cm, 25 oC) =
122
Density (g/cm3)
=
0.99711 (Millero)
Activity of water
=
1.000
Ionic strength
=
1.517e-03
Mass of water (kg)
=
1.000e+00
Total carbon (mol/kg)
=
1.827e-03
Total CO2 (mol/kg)
=
1.827e-03
Temperature (deg C)
=
25.000
Electrical balance (eq)
=
-4.882e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|)
=
-20.82
Iterations
=
8
Total H
=
1.110150e+02
Total O
=
5.551346e+01

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

----

Log

Log
Log

Species
Molality
Activity
Molality
Activity

Gamma

H+
4.148e-07
3.981e-07
-6.382
-6.400
-

0.018
OH-
2.627e-08
2.514e-08
-7.581
-7.600
-

0.019

H2O
5.551e+01
9.999e-01
1.744
-0.000

0.000

C(4)
1.827e-03

HCO3-
9.819e-04
9.408e-04
-3.008
-3.026
-

0.019
CO2
8.419e-04
8.422e-04
-3.075
-3.075

0.000

CaHCO3+
2.201e-06
2.109e-06
-5.657
-5.676
-

0.019

MgHCO3+
8.627e-07
8.260e-07
-6.064
-6.083
-

0.019

NaHCO3
1.387e-07
1.388e-07
-6.858
-6.858

0.000
CO3-2
1.315e-07
1.108e-07
-6.881
-6.955
-

0.074

CaCO3
3.270e-08
3.271e-08
-7.485
-7.485

0.000

MgCO3
7.933e-09 CaOH+
0.000 7.649e-11
0.019
NaCO3-
5.653e-10 CaHSO4+
0.019 3.364e-12
0.019
Ca
2.121e-04 Cl
Ca+2 4.796e-05
2.085e-04 Cl-
0.074 4.796e-05
0.019
CaHCO3+
2.201e-06 H(0)
0.019 2.243e-24
H2
CaSO4 1.122e-24
1.381e-06 0.000
0.000
K
CaCO3 5.627e-05
3.270e-08 K+
0.000 5.625e-05
0.019 -8.100

KSO4- 5.413e-10
1.557e-08 -9.248
0.019 -9.267
-
KOH 1.757e-04
4.688e-13 -3.681
0.000 -3.755
-
Mg 2.109e-06
9.050e-05 -5.657
Mg+2 -5.676
8.894e-05 -
0.074 1.381e-06
-5.860
MgHCO3+ -5.860
8.627e-07
0.019 3.271e-08
-7.485
MgSO4 -7.485
6.927e-07
0.000 7.324e-11
-10.116
MgCO3 -10.135
7.933e-09 -
0.000 3.221e-12
-11.473
-11.492
MgOH+
-
7.146e-10
4.591e-05
0.019
-4.319
-4.338
N(5) -
2.927e-04 1.122e-24 -23.950 -23.950
NO3-
2.927e-04
5.385e-05
0.019
-4.250
-4.269
Na -
2.741e-04 1.491e-08
Na+ -7.808
2.739e-04 -7.827
0.019 -
4.690e-13 -12.329 -12.329
NaHCO3
1.387e-07 7.503e-05
0.000 -4.051
-4.125
NaSO4- -
5.409e-08 8.260e-07
0.019 -6.064
-6.083
-
6.930e-07
7.935e-09 -6.159
-8.101 -6.159
 -
7.935e-09 2.623e-04
-8.101 -3.562
-8.100 -3.581
-
6.843e-10 1.388e-07
-9.146 -6.858
-9.165 -6.858
-
2.801e-04 5.179e-08
-3.534 -7.267
-3.553 -7.286
-
NaCO3-
5.653e-10 Si
0.019 3.828e-04
H4SiO4
NaOH 3.827e-04
4.351e-12 0.000
0.000
H3SiO4-
O(0) 1.481e-07
0.000e+00 0.019
O2
0.000e+00 H2SiO4-2
0.000 2.882e-14
0.075
S(6)
4.893e-05
SO4-2
4.679e-05 5.413e-10
0.075 -9.248
-9.267
CaSO4 -
1.381e-06
0.000 4.353e-12 -11.361
-11.361
MgSO4
6.927e-07 0.000e+00
0.000 -44.480
-44.480
NaSO4-
5.409e-08 3.940e-05
0.019 -4.330
-4.405
KSO4- -
1.557e-08 1.381e-06
0.019 -5.860
-5.860
HSO4-
1.593e-09 6.930e-07
0.019 -6.159
-6.159
CaHSO4+
3.364e-12 5.179e-08
0.019 -7.267
-7.286 -
- 3.828e-04
1.491e-08 -3.417
-7.808 -3.417
-7.827
- 1.418e-07
1.525e-09 -6.830
-8.798 -6.848
-8.817 -
- 2.423e-14
3.221e-12 -13.540
-11.473 -13.616
-11.492 -

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

----

Phase

SI log IAP
log KT

Anhydrite
-3.80
-8.16
-4.36
CaSO4
Aragonite
-2.37
-10.71
-8.34
CaCO3
Calcite
-2.23
-10.71
-8.48
CaCO3
Chalcedony
0.13
-3.42
-3.55
SiO2
Chrysotile
-13.01
19.19
32.20
Mg3Si2O5(OH)4
CO2(g)
-1.61
-3.07
-1.47
CO2
Dolomite
-4.70
-21.79
-17.09
CaMg(CO3)2
Gypsum
-3.58
-8.16
-4.58
CaSO4:2H2O
H2(g)
-20.80
-23.95
-3.15
H2
H2O(g)
-1.51
-0.00
1.51
H2O
Halite
-7.92
-7.92
0.00
NaCl
O2(g)
-41.59
-44.48
-2.89
O2
Quartz
0.54
-3.42
-3.96
SiO2
Sepiolite
-8.66
7.10
15.76
Mg2Si3O7.5OH:3H2O
Sepiolite(d)
-11.56
7.10
18.66
Mg2Si3O7.5OH:3H2O
SiO2(a)
-0.71
-3.42
-2.71
SiO2
Talc
-9.04
12.36 21.40 Mg3Si4O10(OH)2

Initial solution 2.

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

Elements
Molality
Moles

Alkalinity
2.819e-03 2.819e-03

Ca
2.447e-03 2.447e-03

Cl
2.540e-03 2.540e-03

K
1.305e-04 1.305e-04

Mg
1.317e-03 1.317e-03

N(5)
6.644e-03 6.644e-03

Na
1.306e-03
1.306e-03

S(6)
4.895e-04
4.895e-04

Si
7.494e-04
7.494e-04

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

pH
=
7.600
pe
=
4.000
Specific Conductance (uS/cm, 25 oC) =
1188
Density (g/cm3)
=
0.99737 (Millero)
Activity of water
=
1.000
Ionic strength
=
1.459e-02
Mass of water (kg)
=
1.000e+00
Total carbon (mol/kg)
=
2.927e-03
Total CO2 (mol/kg)
=
2.927e-03
Temperature (deg C)
=
25.000
Electrical balance (eq)
=
-4.019e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|)
=
-18.88
Iterations
=
7
Total H
=
1.110182e+02
Total O
=
5.553975e+01

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

----
Log

Log
Log

Species
Molality
Activity
Molality
Activity

Gamma

OH-
4.512e-07
3.984e-07
-6.346
-6.400
-

0.054

H+
2.788e-08
2.512e-08
-7.555
-7.600
-

0.045

H2O
5.551e+01
9.997e-01
1.744
-0.000

0.000

C(4) 1.553e-06
2.927e-03 0.001
HCO3-
2.694e-03 NaCO3-
0.051 1.087e-07
0.053
CO2
1.350e-04 Ca
0.001 2.447e-03
Ca+2
CaHCO3+ 2.318e-03
4.993e-05 0.203
0.051
CaSO4
MgHCO3+ 6.776e-05
2.494e-05 0.001
0.053
CaHCO3+
CaCO3 4.993e-05
1.089e-05 0.051
0.001
CaCO3
CO3-2 1.089e-05
7.138e-06 0.001
0.203
CaOH+
MgCO3 1.083e-08
3.352e-06 0.053
0.001
CaHSO4+
NaHCO3 1.129e-11
0.053 -
2.209e-05
Cl -4.603
2.540e-03 -4.656
Cl- -
2.540e-03 1.092e-05
0.054 -4.963
-4.962
H(0)
8.904e-27 4.476e-06
H2 -5.146
4.452e-27 -5.349
0.001 -
3.363e-06
K -5.475
1.305e-04 -5.473
K+
1.303e-04 1.558e-06
0.054 -5.809
-5.807
KSO4-
2.142e-07 9.631e-08
0.053 -6.964
-7.016
KOH -
1.583e-11 1.453e-03
0.001 -2.635
-2.838
Mg -
1.317e-03 6.798e-05
Mg+2 -4.169
1.245e-03 -4.168
0.199
4.443e-05
MgSO4 -4.302
4.315e-05 -4.352
0.001 -
1.092e-05
-4.963
MgHCO3+
-4.962
2.494e-05
0.053
9.594e-09
-7.965
-8.018
-
2.397e-03 1.000e-11
-2.570 -10.947
-2.620 -11.000
- -
1.354e-04 2.244e-03
-3.870 -2.595
-3.868 -2.649
-
4.443e-05 4.467e-27 -26.351 -26.350
-4.302
-4.352 1.151e-04
-3.885 -3.104
-3.939 -
- 4.330e-05
1.897e-07 -4.365
-6.669 -4.364
-6.722
- 2.209e-05
1.588e-11 -10.800 -10.799 -4.603
-4.656
7.874e-04 -
-2.905
MgCO3 3.769e-04
3.352e-06 0.206
0.001
CaSO4
MgOH+ 6.776e-05
1.285e-07 0.001
0.053
MgSO4
N(5) 4.315e-05
6.644e-03 0.001
NO3-
6.644e-03 NaSO4-
0.055 1.534e-06
0.053
Na
1.306e-03 KSO4-
Na+ 2.142e-07
1.302e-03 0.053
0.052
HSO4-
NaHCO3 6.467e-10
1.553e-06 0.053
0.001
CaHSO4+
NaSO4- 1.129e-11
1.534e-06 0.053
0.053
Si
NaCO3- 7.494e-04
1.087e-07 H4SiO4
0.053 7.444e-04
0.001
NaOH
3.028e-10 H3SiO4-
0.001 4.950e-06
0.053
O(0)
4.162e-40 H2SiO4-2
O2 1.929e-11
2.081e-40 0.211
0.001

S(6)
4.895e-04 3.363e-06
SO4-2
-5.475 -
-5.473 6.798e-05
-4.169
1.138e-07 -4.168
-6.891
-6.944 4.330e-05
- -4.365
5.854e-03 -4.364
-2.178
-2.233 1.358e-06
- -5.814
1.156e-03 -5.867
-2.885 -
-2.937 1.897e-07
- -6.669
1.558e-06 -6.722
-5.809 -
-5.807 5.728e-10
-9.189
1.358e-06 -9.242
-5.814 -
-5.867 1.000e-11
- -10.947
9.631e-08 -11.000
-6.964 -
-7.016 7.469e-04
- -3.128
3.038e-10 -3.127
-9.519
-9.517 4.385e-06
-5.305
2.088e-40 -39.682 -39.680 -5.358
-
2.346e-04 1.187e-11
-3.424 -10.715
-3.630 -10.925
-
--- - - - - - - - - - ---

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

----

Phase

SI log IAP
log KT
Anhydrite

-2.11
-6.47
-4.36
CaSO4
Aragonite

0.15
-8.19
-8.34
CaCO3
Calcite
0.29

-8.19
-8.48
CaCO3

Chalcedony
0.42

-3.13
-3.55
SiO2

Chrysotile
-2.17
30.04
32.20
Mg3Si2O5(OH)4

CO2(g)
-2.40

-3.87
-1.47
CO2

Dolomite
0.45
-16.64
-17.09
CaMg(CO3)2

Gypsum
-1.89

-6.47
-4.58
CaSO4:2H2O

H2(g)
-23.20
-26.35
-3.15
H2

H2O(g)
-1.51
-0.00
1.51
H2O

Halite
-5.59

-5.59
0.00
NaCl

O2(g)
-36.79
-39.68
-2.89
O2

Quartz
0.83

-3.13
-3.96
SiO2

Sepiolite
-0.95
14.81
15.76
Mg2Si3O7.5OH:3H2O

Sepiolite(d)
-3.85
14.81
18.66
Mg2Si3O7.5OH:3H2O

SiO2(a)
-0.41

-3.13
-2.71
SiO2

Talc
2.38
23.78
21.40
Mg3Si4O10(OH)2
---------------------------------------------

Beginning of inverse
modeling 1 calculations.

---------------------------------------------

Solution 1:

Input
+
Delta
=
Input+Delta

pH
6.400e+00

0.000e+00

6.400e+00

Al
0.000e+00
+
0.000e+00
=
0.000e+00
Alkalinity
9.852e-04
+
-1.970e-04 =
7.882e-04

C(-4)
0.000e+00
+
0.000e+00
=
0.000e+00

C(4)
1.827e-03
+
-3.643e-04 =
1.463e-03

Ca
2.121e-04
+
6.363e-05
=
2.757e-04

Cl
4.796e-05
+
-2.398e-05 =
2.398e-05

H(0)
0.000e+00
+
0.000e+00
=
0.000e+00

K
5.627e-05
+
1.590e-14
=
5.627e-05

Mg
9.050e-05
+
3.386e-05
=
1.244e-04
N(0)
0.000e+00
+
0.000e+00
=
0.000e+00

N(3)
0.000e+00
+
0.000e+00
=
0.000e+00

N(5)
2.927e-04
+
0.000e+00
=
2.927e-04

Na
2.741e-04
+
5.481e-05
=
3.289e-04

O(0)
0.000e+00
+
0.000e+00
=
0.000e+00

S(-2)
0.000e+00
+
0.000e+00
=
0.000e+00
S(6)
4.893e-05
+
-8.719e-06 =
4.021e-05

Si
3.828e-04
+
0.000e+00
=
3.828e-04

Solution 2:

Input
+
Delta
=
Input+Delta

pH
7.600e+00

0.000e+00

7.600e+00

Al
0.000e+00
+
0.000e+00
=
0.000e+00

Alkalinity
2.819e-03
+
0.000e+00
=
2.819e-03

C(-4)
0.000e+00
+
0.000e+00
=
0.000e+00

C(4)
2.927e-03
+
0.000e+00
=
2.927e-03

Ca
2.447e-03
+
3.542e-04
=
2.801e-03

Cl
2.540e-03
+
-2.597e-14 =
2.540e-03

H(0)
0.000e+00
+
0.000e+00
=
0.000e+00

K
1.305e-04
+
-1.242e-13 =
1.305e-04

Mg
1.317e-03
+
6.585e-04
=
1.975e-03

N(0)
0.000e+00
+
0.000e+00
=
0.000e+00

N(3)
0.000e+00
+
0.000e+00
=
0.000e+00

N(5)
6.644e-03
+
-1.993e-03 =
4.650e-03

Na
1.306e-03
+
0.000e+00
=
1.306e-03

O(0)
0.000e+00
+
0.000e+00
=
0.000e+00
S(-2)
0.000e+00
+
0.000e+00
=
0.000e+00

S(6)
4.895e-04
+
0.000e+00
=
4.895e-04

Si
7.494e-04
+
0.000e+00
=
7.494e-04

Solution fractions:

Minimum

Maximum

Solution
1
1.589e+01

1.414e+01

2.235e+01

Solution
2
1.000e+00

1.000e+00

1.000e+00
Phase mole transfers:

Minimum

Maximum

Halite
2.159e-03

8.612e-04

2.963e-03
NaCl

Kaolinite
-8.255e+02

-1.000e+03

1.000e+03

Al2Si2O5(OH)4

Ca-Montmorillon
-1.588e+02

-1.000e+03

-1.215e+03

Ca0.165Al2.33Si3.67O10(OH)2

Calcite
-2.031e-02
-3.252e-02

-1.715e-02
CaCO3

Plagioclase
7.088e+01

5.420e+02

1.000e+03

Na0.62Ca0.37Al1.38Si2.625O8

K-feldspar
-9.837e+02

-1.000e+03

1.000e+03
KAlSi3O8

K-mica
9.837e+02

-1.000e+03

1.000e+03

KAl3Si3O10(OH)2

Albite
-4.395e+01

-1.000e+03

-3.207e+02
NaAlSi3O8

Quartz
2.180e+03

-1.000e+03

1.000e+03
SiO2

Anhydrite
-1.492e-04

-6.060e-04

3.400e-05
CaSO4
Redox mole transfers:

Sum of residuals (epsilons in documentation):

1.079e+02
Sum of delta/uncertainty limit:
9.119e+00
Maximum fractional error in element concentration:
5.000e-01

===========================================================================

Solution 1:

Input
+
Delta
=
Input+Delta

pH
6.400e+00

0.000e+00

6.400e+00

Al
0.000e+00
+
0.000e+00
=
0.000e+00

Alkalinity
9.852e-04
+
-1.970e-04 =
7.882e-04

C(-4)
0.000e+00
+
0.000e+00
=
0.000e+00

C(4)
1.827e-03
+
-3.643e-04
=
1.463e-03
Ca
2.121e-04
+
6.363e-05
=
2.757e-04

Cl
4.796e-05
+
-2.398e-05 =
2.398e-05

H(0)
0.000e+00
+
0.000e+00
=
0.000e+00

K
5.627e-05
+
4.441e-07
=
5.671e-05

Mg
9.050e-05
+
4.114e-05
=
1.316e-04

N(0)
0.000e+00
+
0.000e+00
=
0.000e+00

N(3)
0.000e+00
+
0.000e+00
=
0.000e+00

N(5)
2.927e-04
+
1.714e-05
=
3.099e-04

Na
2.741e-04
+
5.481e-05
=
3.289e-04

O(0)
0.000e+00
+
0.000e+00
=
0.000e+00

S(-2)
0.000e+00
+
0.000e+00
=
0.000e+00

S(6)
4.893e-05
+
-9.786e-06 =
3.914e-05

Si
3.828e-04
+
0.000e+00
=
3.828e-04

Solution 2:

Input
+
Delta
=
Input+Delta

pH
7.600e+00

0.000e+00

7.600e+00

Al
0.000e+00
+
0.000e+00
=
0.000e+00

Alkalinity
2.819e-03
+
-1.108e-14 =
2.819e-03

C(-4)
0.000e+00
+
0.000e+00
=
0.000e+00

C(4)
2.927e-03
+
0.000e+00
=
2.927e-03

Ca
2.447e-03
+
4.521e-04
=
2.899e-03

Cl
2.540e-03
+
8.161e-14
=
2.540e-03

H(0)
0.000e+00
+
0.000e+00
=
0.000e+00

K
1.305e-04
+
-1.304e-14 =
1.305e-04

Mg
1.317e-03
+
6.585e-04
=
1.975e-03
N(0)
0.000e+00
+
0.000e+00
=
0.000e+00

N(3)
0.000e+00
+
0.000e+00
=
0.000e+00

N(5)
6.644e-03
+
-1.993e-03 =
4.650e-03

Na
1.306e-03
+
0.000e+00
=
1.306e-03

O(0)
0.000e+00
+
0.000e+00
=
0.000e+00

S(-2)
0.000e+00
+
0.000e+00
=
0.000e+00
S(6)
4.895e-04
+
9.791e-05
=
5.874e-04

Si
7.494e-04
+
0.000e+00
=
7.494e-04

Solution fractions:

Minimum

Maximum

Solution
1
1.501e+01

1.414e+01

1.501e+01

Solution
2
1.000e+00

1.000e+00

1.000e+00

Phase mole transfers:

Minimum

Maximum

Halite
2.180e-03

1.256e-03

2.963e-03
NaCl

Kaolinite
-7.768e+02

-7.717e+02

1.000e+03

Al2Si2O5(OH)4

Ca-Montmorillon
-1.530e+02

-1.000e+03

-1.239e+03

Ca0.165Al2.33Si3.67O10(OH)2

Calcite
-1.903e-02

-2.137e-02

-1.715e-02
CaCO3

Plagioclase
6.826e+01

5.525e+02
1.000e+03

Na0.62Ca0.37Al1.38Si2.625O8

K-feldspar
-9.291e+02

-1.000e+03

1.000e+03
KAlSi3O8

K-mica
9.291e+02

-1.000e+03

1.000e+03

KAl3Si3O10(OH)2
Albite
-4.233e+01
-1.000e+03
-3.269e+02
NaAlSi3O8
Quartz
2.063e+03
-1.000e+03
1.000e+03
SiO2
Redox mole transfers:

Sum of residuals (epsilons in documentation):

1.122e+02

Sum of delta/uncertainty limit:

1.085e+01

Maximum fractional error in element concentration:

5.000e-01

Model contains minimum number of phases.

===========================================================================

Solution 1:

Input
+
Delta
=
Input+Delta

pH
6.400e+00

0.000e+00

6.400e+00

Al
0.000e+00
+
0.000e+00
=
0.000e+00
Alkalinity
9.852e-04
+
-1.970e-04 =
7.882e-04

C(-4)
0.000e+00
+
0.000e+00
=
0.000e+00

C(4)
1.827e-03
+
-3.643e-04 =
1.463e-03

Ca
2.121e-04
+
6.363e-05
=
2.757e-04

Cl
4.796e-05
+
-2.398e-05 =
2.398e-05

H(0)
0.000e+00
+
0.000e+00
=
0.000e+00

K
5.627e-05
+
1.590e-14
=
5.627e-05

Mg
9.050e-05
+
3.386e-05
=
1.244e-04

N(0)
0.000e+00
+
0.000e+00
=
0.000e+00

N(3)
0.000e+00
+
0.000e+00
=
0.000e+00

N(5)
2.927e-04
+
0.000e+00
=
2.927e-04

Na
2.741e-04
+
5.481e-05
=
3.289e-04

O(0)
0.000e+00
+
0.000e+00
=
0.000e+00

S(-2)
0.000e+00
+
0.000e+00
=
0.000e+00

S(6)
4.893e-05
+
-8.719e-06 =
4.021e-05

Si
3.828e-04
+
0.000e+00
=
3.828e-04
Solution 2:

Input

Delta

Input+Delta

pH
7.600e+00
+
0.000e+00
=
7.600e+00

Al
0.000e+00
+
0.000e+00
=
0.000e+00

Alkalinity
2.819e-03
+
0.000e+00
=
2.819e-03

C(-4)
0.000e+00
+
0.000e+00
=
0.000e+00

C(4)
2.927e-03
+
0.000e+00
=
2.927e-03

Ca
2.447e-03
+
3.542e-04
=
2.801e-03

Cl
2.540e-03
+
-2.597e-14 =
2.540e-03

H(0)
0.000e+00
+
0.000e+00
=
0.000e+00

K
1.305e-04
+
-1.242e-13 =
1.305e-04

Mg
1.317e-03
+
6.585e-04
=
1.975e-03

N(0)
0.000e+00
+
0.000e+00
=
0.000e+00

N(3)
0.000e+00
+
0.000e+00
=
0.000e+00

N(5)
6.644e-03
+
-1.993e-03 =
4.650e-03

Na
1.306e-03
+
0.000e+00
=
1.306e-03

O(0)
0.000e+00
+
0.000e+00
=
0.000e+00

S(-2)
0.000e+00
+
0.000e+00
=
0.000e+00

S(6)
4.895e-04
+
0.000e+00
=
4.895e-04

Si
7.494e-04
+
0.000e+00
=
7.494e-04

Solution fractions:

Minimum

Maximum
Solution
1
1.589e+01

1.414e+01

2.235e+01

Solution
2
1.000e+00

1.000e+00

1.000e+00

Phase mole transfers:

Minimum

Maximum

Halite
2.159e-03

8.612e-04

2.963e-03
NaCl

Kaolinite
-8.255e+02

-1.000e+03

1.000e+03

Al2Si2O5(OH)4

Ca-Montmorillon
-1.588e+02

-1.000e+03

-1.215e+03
Ca0.165Al2.33Si3.67O10(OH)2

Calcite
-2.031e-02

-3.252e-02

-1.715e-02
CaCO3
Chalcedony
2.180e+03

-1.000e+03

1.000e+03
SiO2
Plagioclase
7.088e+01

5.420e+02

1.000e+03

Na0.62Ca0.37Al1.38Si2.625O8

K-feldspar
-9.837e+02

-1.000e+03

1.000e+03
KAlSi3O8

K-mica
9.837e+02

-1.000e+03

1.000e+03

KAl3Si3O10(OH)2
Albite
-4.395e+01

-1.000e+03

-3.207e+02
NaAlSi3O8

Anhydrite
-1.492e-04

-6.060e-04

3.400e-05
CaSO4
Redox mole transfers:

Sum of residuals (epsilons in documentation):

1.079e+02

Sum of
delta/uncertainty limit:

9.119e+00

Maximum fractional error

in element concentration:

5.000e-01
===========================================================================

Solution 1:

Input
+
Delta
=
Input+Delta

pH
6.400e+00

0.000e+00

6.400e+00

Al
0.000e+00
+
0.000e+00
=
0.000e+00

Alkalinity
9.852e-04
+
-1.970e-04 =
7.882e-04

C(-4)
0.000e+00
+
0.000e+00
=
0.000e+00

C(4)
1.827e-03
+
-3.643e-04 =
1.463e-03

Ca
2.121e-04
+
6.363e-05
=
2.757e-04
Cl
4.796e-05
+
-2.398e-05 =
2.398e-05

H(0)
0.000e+00
+
0.000e+00
=
0.000e+00

K
5.627e-05
+
4.441e-07
=
5.671e-05

Mg
9.050e-05
+
4.114e-05
=
1.316e-04

N(0)
0.000e+00
+
0.000e+00
=
0.000e+00

N(3)
0.000e+00
+
0.000e+00
=
0.000e+00

N(5)
2.927e-04
+
1.714e-05
=
3.099e-04

Na
2.741e-04
+
5.481e-05
=
3.289e-04

O(0)
0.000e+00
+
0.000e+00
=
0.000e+00

S(-2)
0.000e+00
+
0.000e+00
=
0.000e+00
S(6)
4.893e-05
+
-9.786e-06 =
3.914e-05

Si
3.828e-04
+
0.000e+00
=
3.828e-04

Solution 2:

Input
+
Delta
=
Input+Delta

pH
7.600e+00

0.000e+00

7.600e+00

Al
0.000e+00
+
0.000e+00
=
0.000e+00

Alkalinity
2.819e-03
+
-1.108e-14 =
2.819e-03

C(-4)
0.000e+00
+
0.000e+00
=
0.000e+00

C(4)
2.927e-03
+
0.000e+00
=
2.927e-03

Ca
2.447e-03
+
4.521e-04
=
2.899e-03

Cl
2.540e-03
+
8.161e-14
=
2.540e-03
H(0)
0.000e+00
+
0.000e+00
=
0.000e+00

K
1.305e-04
+
-1.304e-14 =
1.305e-04

Mg
1.317e-03
+
6.585e-04
=
1.975e-03

N(0)
0.000e+00
+
0.000e+00
=
0.000e+00

N(3)
0.000e+00
+
0.000e+00
=
0.000e+00

N(5)
6.644e-03
+
-1.993e-03 =
4.650e-03
Na
1.306e-03
+
0.000e+00
=
1.306e-03

O(0)
0.000e+00
+
0.000e+00
=
0.000e+00

S(-2)
0.000e+00
+
0.000e+00
=
0.000e+00

S(6)
4.895e-04
+
9.791e-05
=
5.874e-04

Si
7.494e-04
+
0.000e+00
=
7.494e-04

Solution fractions:
Minimum

Maximum

Solution
1
1.501e+01

1.414e+01

1.501e+01

Solution
2
1.000e+00

1.000e+00

1.000e+00

Phase mole transfers:

Minimum

Maximum

Halite
2.180e-03

1.256e-03

2.963e-03
NaCl

Kaolinite
-7.768e+02

-7.717e+02

1.000e+03

Al2Si2O5(OH)4
Ca-Montmorillon
-1.530e+02

-1.000e+03

-1.239e+03

Ca0.165Al2.33Si3.67O10(OH)2

Calcite
-1.903e-02

-2.137e-02

-1.715e-02
CaCO3

Chalcedony
2.063e+03

-1.000e+03

1.000e+03
SiO2

Plagioclase
6.826e+01

5.525e+02

1.000e+03

Na0.62Ca0.37Al1.38Si2.625O8
K-feldspar
-9.291e+02

-1.000e+03

1.000e+03
KAlSi3O8

K-mica
9.291e+02

-1.000e+03

1.000e+03

KAl3Si3O10(OH)2

Albite
-4.233e+01

-1.000e+03

-3.269e+02
NaAlSi3O8

Redox mole transfers:

Sum of
residuals (epsilons in documentation):

1.122e+02
Sum of
delta/uncertainty
limit:

1.085e+01

Maximum fractional error

in element concentration:

5.000e-01

Model contains minimum number of phases.

===========================================================================

Number of models found: 4

Number of minimal models found: 2

Number of infeasible sets of phases saved: 27 Number of calls to cl1: 121

------------------

End of simulation.

------------------

------------------------------------

Reading input data for simulation 2.

------------------------------------

-----------

End of run.

-----------