Skip to content

Commit

Permalink
Updated output files (from windows)
Browse files Browse the repository at this point in the history
  • Loading branch information
@scharlton2
scharlton2 committed Apr 18, 2024
1 parent 19a7926 commit 53a171a
Show file tree
Hide file tree
Showing 927 changed files with 392,044 additions and 370,016 deletions.
321 changes: 162 additions & 159 deletions examples/ex1.out
View file

Large diffs are not rendered by default.

39 changes: 20 additions & 19 deletions examples/ex10.out
View file
Original file line number Diff line number Diff line change
Expand Up @@ -13,6 +13,7 @@ Reading data base.
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES
SURFACE_SPECIES
CALCULATE_VALUES
RATES
END
------------------------------------
Expand Down Expand Up @@ -119,17 +120,17 @@ Initial solution 1.

pH = 7.969 Charge balance
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 676
Specific Conductance (µS/cm, 25°C) = 686
Density (g/cm³) = 0.99755
Volume (L) = 1.00309
Viscosity (mPa s) = 0.89349
Viscosity (mPa s) = 0.89426
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.105e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 7.864e-03
Total CO2 (mol/kg) = 7.864e-03
Temperature (°C) = 25.00
Electrical balance (eq) = -5.380e-15
Electrical balance (eq) = -5.424e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 8
Total H = 1.110200e+02
Expand All @@ -146,11 +147,11 @@ Initial solution 1.
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -75.159 -75.158 0.001 35.46
C(4) 7.864e-03
HCO3- 7.326e-03 6.602e-03 -2.135 -2.180 -0.045 24.66
HCO3- 7.326e-03 6.602e-03 -2.135 -2.180 -0.045 24.65
CaHCO3+ 2.211e-04 1.996e-04 -3.655 -3.700 -0.044 9.73
CO2 1.592e-04 1.595e-04 -3.798 -3.797 0.001 34.43
CaCO3 1.144e-04 1.147e-04 -3.941 -3.940 0.001 -14.60
CO3-2 4.369e-05 2.882e-05 -4.360 -4.540 -0.181 -3.76
CO3-2 4.369e-05 2.882e-05 -4.360 -4.540 -0.181 -3.65
(CO2)2 4.657e-10 4.669e-10 -9.332 -9.331 0.001 68.87
Ca 3.932e-03
Ca+2 3.596e-03 2.370e-03 -2.444 -2.625 -0.181 -17.91
Expand Down Expand Up @@ -204,18 +205,18 @@ CO2(g) -0.01 -1.48 -1.47 1.000e+01 9.961e+00 -3.934e-02
----------------------------Description of solution----------------------------

pH = 6.064 Charge balance
pe = 11.821 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 1713
pe = 11.815 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 1721
Density (g/cm³) = 0.99872
Volume (L) = 1.00431
Viscosity (mPa s) = 0.89762
Viscosity (mPa s) = 0.89965
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.901e-02
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 2.103e-02
Total CO2 (mol/kg) = 5.379e-02
Temperature (°C) = 25.00
Electrical balance (eq) = 2.415e-12
Electrical balance (eq) = 2.316e-12
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 10
Total H = 1.110200e+02
Expand All @@ -230,35 +231,35 @@ CO2(g) -0.01 -1.48 -1.47 1.000e+01 9.961e+00 -3.934e-02
OH- 1.386e-08 1.173e-08 -7.858 -7.931 -0.073 -3.95
H2O 5.551e+01 9.989e-01 1.744 -0.000 0.000 18.07
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -120.181 -120.178 0.003 35.46
CH4 0.000e+00 0.000e+00 -120.128 -120.125 0.003 35.46
C(4) 5.379e-02
CO2 3.273e-02 3.287e-02 -1.485 -1.483 0.002 34.43
HCO3- 1.976e-02 1.694e-02 -1.704 -1.771 -0.067 24.77
HCO3- 1.976e-02 1.694e-02 -1.704 -1.771 -0.067 24.73
CaHCO3+ 1.257e-03 1.082e-03 -2.901 -2.966 -0.065 9.77
(CO2)2 1.970e-05 1.984e-05 -4.705 -4.703 0.003 68.87
CaCO3 7.698e-06 7.750e-06 -5.114 -5.111 0.003 -14.60
CO3-2 1.704e-06 9.217e-07 -5.769 -6.035 -0.267 -3.47
CO3-2 1.704e-06 9.217e-07 -5.769 -6.035 -0.267 -3.39
Ca 1.051e-02
Ca+2 9.251e-03 5.005e-03 -2.034 -2.301 -0.267 -17.74
CaHCO3+ 1.257e-03 1.082e-03 -2.901 -2.966 -0.065 9.77
CaCO3 7.698e-06 7.750e-06 -5.114 -5.111 0.003 -14.60
CaOH+ 1.130e-09 9.625e-10 -8.947 -9.017 -0.070 (0)
H(0) 2.380e-39
H2 1.190e-39 1.198e-39 -38.924 -38.922 0.003 28.61
O(0) 5.758e-15
O2 2.879e-15 2.898e-15 -14.541 -14.538 0.003 30.40
H(0) 2.454e-39
H2 1.227e-39 1.235e-39 -38.911 -38.908 0.003 28.61
O(0) 5.417e-15
O2 2.709e-15 2.727e-15 -14.567 -14.564 0.003 30.40

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

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

Aragonite 0.00 -8.34 -8.34 CaCO3
Calcite 0.14 -8.34 -8.48 CaCO3
CH4(g) -117.38 -120.18 -2.80 CH4
CH4(g) -117.32 -120.13 -2.80 CH4
CO2(g) -0.01 -1.48 -1.47 CO2 Pressure 1.0 atm, phi 0.995
H2(g) -35.82 -38.92 -3.10 H2
H2(g) -35.81 -38.91 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
O2(g) -11.65 -14.54 -2.89 O2
O2(g) -11.67 -14.56 -2.89 O2

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Expand Down
11 changes: 6 additions & 5 deletions examples/ex11.out
View file
Original file line number Diff line number Diff line change
Expand Up @@ -13,6 +13,7 @@ Reading data base.
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES
SURFACE_SPECIES
CALCULATE_VALUES
RATES
END
------------------------------------
Expand Down Expand Up @@ -59,16 +60,16 @@ Initial solution 0. CaCl2

pH = 6.995 Charge balance
pe = 13.632 Equilibrium with O2(g)
Specific Conductance (µS/cm, 25°C) = 152
Specific Conductance (µS/cm, 25°C) = 155
Density (g/cm³) = 0.99710
Volume (L) = 1.00298
Viscosity (mPa s) = 0.89067
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.800e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.687e-21
Total alkalinity (eq/kg) = -1.854e-20
Temperature (°C) = 25.00
Electrical balance (eq) = 4.260e-18
Electrical balance (eq) = 2.979e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 4
Total H = 1.110124e+02
Expand Down Expand Up @@ -125,9 +126,9 @@ Initial solution 1. Initial solution for column
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.200e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.247e-19
Total alkalinity (eq/kg) = -1.017e-18
Temperature (°C) = 25.00
Electrical balance (eq) = -9.243e-17
Electrical balance (eq) = -9.088e-17
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 3 (7 overall)
Total H = 1.110124e+02
Expand Down
Loading

0 comments on commit 53a171a

Please # to comment.