Skip to content

Commit

Permalink
Updated ctest.cmake output for Amm
Browse files Browse the repository at this point in the history
  • Loading branch information
@scharlton2
scharlton2 committed Jun 24, 2024
1 parent 3925df9 commit bd55711
Show file tree
Hide file tree
Showing 6 changed files with 5,328 additions and 5,328 deletions.
36 changes: 18 additions & 18 deletions mytest/Amm.out
View file
Original file line number Diff line number Diff line change
Expand Up @@ -47,28 +47,28 @@ Initial solution 1.

----------------------------------User print-----------------------------------

Amm, ug/L: 2.5000e+01
Amm, ug/L: 2.3603e+01

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

Elements Molality Moles

Amm 1.468e-06 1.468e-06
Amm 1.386e-06 1.386e-06

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

pH = 8.663 Charge balance
pH = 8.640 Charge balance
pe = 4.000
Specific Conductance (µS/cm, 10°C) = 0
Density (g/cm³) = 0.99970 (Iterated)
Volume (L) = 1.00030
Viscosity (mPa s) = 1.30978
Viscosity (mPa s) = 1.30958
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.355e-06
Ionic strength (mol/kgw) = 1.285e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.468e-06
Total alkalinity (eq/kg) = 1.386e-06
Temperature (°C) = 10.00
Electrical balance (eq) = -7.016e-16
Electrical balance (eq) = -1.544e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 7 (14 overall)
Total H = 1.110124e+02
Expand All @@ -79,25 +79,25 @@ Amm, ug/L: 2.5000e+01
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol

OH- 1.355e-06 1.353e-06 -5.868 -5.869 -0.001 -5.04
H+ 2.177e-09 2.174e-09 -8.662 -8.663 -0.001 0.00
OH- 1.285e-06 1.283e-06 -5.891 -5.892 -0.001 -5.04
H+ 2.296e-09 2.293e-09 -8.639 -8.640 -0.001 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.02
Amm 1.468e-06
AmmH+ 1.353e-06 1.351e-06 -5.869 -5.869 -0.001 17.00
Amm 1.158e-07 1.158e-07 -6.936 -6.936 0.000 23.51
H(0) 7.833e-29
H2 3.917e-29 3.917e-29 -28.407 -28.407 0.000 28.63
Amm 1.386e-06
AmmH+ 1.282e-06 1.281e-06 -5.892 -5.893 -0.001 17.00
Amm 1.041e-07 1.041e-07 -6.983 -6.983 0.000 23.51
H(0) 8.713e-29
H2 4.356e-29 4.356e-29 -28.361 -28.361 0.000 28.63
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -40.663 -40.663 0.000 28.95
O2 0.000e+00 0.000e+00 -40.756 -40.756 0.000 28.95

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

Phase SI** log IAP log K(283 K, 1 atm)

Amm(g) -9.06 -6.94 2.13 Amm
H2(g) -25.35 -28.41 -3.05 H2
Amm(g) -9.11 -6.98 2.13 Amm
H2(g) -25.31 -28.36 -3.05 H2
H2O(g) -1.91 -0.00 1.91 H2O
O2(g) -37.90 -40.66 -2.77 O2
O2(g) -37.99 -40.76 -2.77 O2

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Expand Down
2 changes: 1 addition & 1 deletion mytest/Amm_101.sel
View file
Original file line number Diff line number Diff line change
@@ -1,2 +1,2 @@
Mu SC
0.000001354765 0.2703174476
0.000001284536 0.2563604097
42 changes: 21 additions & 21 deletions mytest/NH4_2_SO4.out
View file
Original file line number Diff line number Diff line change
Expand Up @@ -368,7 +368,7 @@ Initial solution 5.
Activity of water = 0.986
Ionic strength (mol/kgw) = 6.437e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.950e-15
Total alkalinity (eq/kg) = 2.912e-15
Temperature (°C) = 20.00
Electrical balance (eq) = -1.254e-11
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Expand Down Expand Up @@ -429,9 +429,9 @@ Initial solution 6.
Activity of water = 0.983
Ionic strength (mol/kgw) = 7.875e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.142e-16
Total alkalinity (eq/kg) = 3.637e-17
Temperature (°C) = 20.00
Electrical balance (eq) = -7.727e-14
Electrical balance (eq) = -7.710e-14
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 7 (145 overall)
Total H = 1.118091e+02
Expand Down Expand Up @@ -490,7 +490,7 @@ Initial solution 7.
Activity of water = 0.980
Ionic strength (mol/kgw) = 9.273e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.865e-14
Total alkalinity (eq/kg) = 2.853e-14
Temperature (°C) = 20.00
Electrical balance (eq) = -1.060e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Expand Down Expand Up @@ -551,7 +551,7 @@ Initial solution 8.
Activity of water = 0.976
Ionic strength (mol/kgw) = 1.067e+00
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 6.032e-14
Total alkalinity (eq/kg) = 6.031e-14
Temperature (°C) = 20.00
Electrical balance (eq) = -1.938e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Expand Down Expand Up @@ -612,7 +612,7 @@ Initial solution 9.
Activity of water = 0.973
Ionic strength (mol/kgw) = 1.204e+00
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 9.099e-14
Total alkalinity (eq/kg) = 9.115e-14
Temperature (°C) = 20.00
Electrical balance (eq) = -2.076e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Expand Down Expand Up @@ -734,7 +734,7 @@ Initial solution 11.
Activity of water = 0.966
Ionic strength (mol/kgw) = 1.477e+00
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.118e-13
Total alkalinity (eq/kg) = 1.115e-13
Temperature (°C) = 20.00
Electrical balance (eq) = -7.881e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Expand Down Expand Up @@ -795,7 +795,7 @@ Initial solution 12.
Activity of water = 0.959
Ionic strength (mol/kgw) = 1.750e+00
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 7.146e-14
Total alkalinity (eq/kg) = 7.057e-14
Temperature (°C) = 20.00
Electrical balance (eq) = 7.397e-11
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Expand Down Expand Up @@ -856,7 +856,7 @@ Initial solution 13.
Activity of water = 0.951
Ionic strength (mol/kgw) = 2.023e+00
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.422e-14
Total alkalinity (eq/kg) = 2.440e-14
Temperature (°C) = 20.00
Electrical balance (eq) = 8.476e-11
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Expand Down Expand Up @@ -917,7 +917,7 @@ Initial solution 14.
Activity of water = 0.944
Ionic strength (mol/kgw) = 2.300e+00
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.831e-15
Total alkalinity (eq/kg) = 4.603e-15
Temperature (°C) = 20.00
Electrical balance (eq) = 6.549e-12
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Expand Down Expand Up @@ -978,11 +978,11 @@ Initial solution 15.
Activity of water = 0.936
Ionic strength (mol/kgw) = 2.580e+00
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 9.624e-16
Total alkalinity (eq/kg) = -2.735e-16
Temperature (°C) = 20.00
Electrical balance (eq) = -2.324e-12
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 7 (592 overall)
Iterations = 7 (593 overall)
Total H = 1.143386e+02
Total O = 6.215861e+01

Expand Down Expand Up @@ -1039,11 +1039,11 @@ Initial solution 16.
Activity of water = 0.927
Ionic strength (mol/kgw) = 2.865e+00
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -2.576e-16
Total alkalinity (eq/kg) = -2.396e-16
Temperature (°C) = 20.00
Electrical balance (eq) = -4.264e-13
Electrical balance (eq) = -4.260e-13
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 7 (655 overall)
Iterations = 7 (656 overall)
Total H = 1.147990e+02
Total O = 6.307933e+01

Expand Down Expand Up @@ -1100,11 +1100,11 @@ Initial solution 17.
Activity of water = 0.919
Ionic strength (mol/kgw) = 3.157e+00
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.654e-14
Total alkalinity (eq/kg) = 2.518e-14
Temperature (°C) = 20.00
Electrical balance (eq) = -6.581e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 7 (721 overall)
Iterations = 7 (729 overall)
Total H = 1.152842e+02
Total O = 6.404970e+01

Expand Down Expand Up @@ -1161,11 +1161,11 @@ Initial solution 18.
Activity of water = 0.910
Ionic strength (mol/kgw) = 3.455e+00
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.244e-14
Total alkalinity (eq/kg) = 3.258e-14
Temperature (°C) = 20.00
Electrical balance (eq) = -1.143e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 8 (803 overall)
Iterations = 8 (811 overall)
Total H = 1.157935e+02
Total O = 6.506829e+01

Expand Down Expand Up @@ -1222,11 +1222,11 @@ Initial solution 19.
Activity of water = 0.900
Ionic strength (mol/kgw) = 3.764e+00
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 8.207e-14
Total alkalinity (eq/kg) = 8.324e-14
Temperature (°C) = 20.00
Electrical balance (eq) = -2.319e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 9 (892 overall)
Iterations = 9 (909 overall)
Total H = 1.163316e+02
Total O = 6.614464e+01

Expand Down
38 changes: 19 additions & 19 deletions mytest/NH4_2_SO4_101.sel
View file
Original file line number Diff line number Diff line change
@@ -1,20 +1,20 @@
Mu SC
0.097971671804 8076.9404286867
0.184504431859 15175.2652926782
0.345808117104 28607.6640751612
0.498257279981 41485.2479171334
0.643659196819 53854.8850997277
0.787511032828 66118.9520782064
0.927272834233 78018.9897446217
1.067175184753 89886.9342189873
1.204339522416 101458.1525190728
1.340902702438 112898.8079974088
1.477200753404 124225.2895303084
1.750099086458 146589.9447256997
2.023354654425 168520.0663604432
2.300099332861 190217.3859001208
2.580134694284 211615.6824333729
2.864716964223 232756.9879409322
3.156599286348 253773.1801045684
3.455436189133 274547.4129601006
3.764045274539 295158.0456424591
0.097971671830 8076.9404308667
0.184504431861 15175.2652928172
0.345808117162 28607.6640800780
0.498257279987 41485.2479176715
0.643659196858 53854.8851030416
0.787511032992 66118.9520922305
0.927272834248 78018.9897459097
1.067175184803 89886.9342232211
1.204339522557 101458.1525308912
1.340902702454 112898.8079987381
1.477200753446 124225.2895337336
1.750099086680 146589.9447436855
2.023354654496 168520.0663660753
2.300099333160 190217.3859232453
2.580134694396 211615.6824417576
2.864716964632 232756.9879708852
3.156599253950 253773.1778108295
3.455436189750 274547.4130022012
3.764045232277 295158.0428815006
Loading

0 comments on commit bd55711

Please # to comment.