From 1a2c857bb9e67ba51a62c02590d08491948c326e Mon Sep 17 00:00:00 2001 From: Darth Vader Date: Tue, 7 Jan 2025 22:32:56 +0000 Subject: [PATCH] Squashed 'examples/' changes from 1777f2bc..31517c71 31517c71 Updated output for 3.8.6 release git-subtree-dir: examples git-subtree-split: 31517c71c70af07af992b2dceb8ebc1b8ff74e3d --- ex11.out | 5 +- ex12.out | 6 +- ex12a.out | 17 ++- ex13a.out | 12 +-- ex13ac.out | 24 ++--- ex13b.out | 12 +-- ex13c.out | 12 +-- ex15.out | 24 ++--- ex15a.out | 24 ++--- ex15b.out | 24 +++-- ex20b.out | 295 +--------------------------------------------------- ex21.out | 4 +- ex22.out | 299 +---------------------------------------------------- ex7.out | 6 +- ex9.out | 4 +- 15 files changed, 70 insertions(+), 698 deletions(-) diff --git a/ex11.out b/ex11.out index cdb77f308..dff27f2c5 100644 --- a/ex11.out +++ b/ex11.out @@ -209,9 +209,6 @@ Reading input data for simulation 3. print_frequency 20 PRINT reset false -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 40. -WARNING: Dispersivities were read for 1 cells. Last value is used till cell 40. -WARNING: -Calculating transport: 40 (mobile) cells, 100 shifts, 4 mixruns... +Calculating transport: 40 (mobile) cells, 100 shifts, 4 mixruns... diff --git a/ex12.out b/ex12.out index 9058b8640..36435bf99 100644 --- a/ex12.out +++ b/ex12.out @@ -52,13 +52,9 @@ Reading input data for simulation 1. KX 0.048 PRINT reset false -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 60. -WARNING: Dispersivities were read for 1 cells. Last value is used till cell 60. -WARNING: + Calculating transport: 60 (mobile) cells, 60 shifts, 0 mixruns... -WARNING: Calculating transport: 60 (mobile) cells, 1 shifts, 122 mixruns... - diff --git a/ex12a.out b/ex12a.out index b66ac9d5f..3e639b145 100644 --- a/ex12a.out +++ b/ex12a.out @@ -72,14 +72,12 @@ Reading input data for simulation 1. shifts 1 flow_direction diffusion boundary_conditions constant closed - lengths 1.0 + lengths 20*1.0 thermal_diffusion 3.0 # Heat is retarded equal to Na - dispersivities 0.0 # No dispersion + dispersivities 20*0.0 # No dispersion diffusion_coefficient 0.3e-9 # m^2/s time_step 1.0e+10 # 317 years, 19 substeps will be used SELECTED_OUTPUT -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20. -WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. file ex12a.sel high_precision true reset false @@ -115,9 +113,8 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. 2060 erfc = b * (a1 + b * (a2 + b * (a3 + b * (a4 + b * a5)))) * EXP(-(z * z)) 2080 RETURN END -WARNING: -Calculating transport: 20 (mobile) cells, 1 shifts, 14 mixruns... +Calculating transport: 20 (mobile) cells, 1 shifts, 14 mixruns... SELECTED_OUTPUT active false # See also PRINT; selected_output false @@ -133,16 +130,14 @@ Calculating transport: 20 (mobile) cells, 1 shifts, 14 mixruns... END TRANSPORT # no need to redefine parameters that don't change from 20 cell model cells 60 - lengths 0.33333333333333333 + lengths 60*0.33333333333333333 + disp 60*0.0 punch_cells 1-60 SELECTED_OUTPUT -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 60. -WARNING: No dispersivities were read; disp = 0 assumed. active true # See also PRINT; selected_output false END -WARNING: -Calculating transport: 60 (mobile) cells, 1 shifts, 122 mixruns... +Calculating transport: 60 (mobile) cells, 1 shifts, 122 mixruns... SOLUTION # Initial solution calculation for pure water PRINT diff --git a/ex13a.out b/ex13a.out index 466f1b4d4..2bfcc91d5 100644 --- a/ex13a.out +++ b/ex13a.out @@ -298,15 +298,12 @@ Reading input data for simulation 3. time_step 3600 boundary_conditions flux flux diffusion_coefficient 0.0 - lengths 0.1 - dispersivities 0.015 + lengths 20*0.1 + dispersivities 20*0.015 stagnant 1 6.8e-6 0.3 0.1 END -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20. -WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. -WARNING: -Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... SOLUTION 0 # Original solution with KNO3 reenters units mmol/l @@ -339,7 +336,6 @@ Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... 20 GRAPH_Y TOT("Na")*1000 TOT("Cl")*1000 -end END -WARNING: -Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns... diff --git a/ex13ac.out b/ex13ac.out index 270f50d01..80af4cc09 100644 --- a/ex13ac.out +++ b/ex13ac.out @@ -298,15 +298,12 @@ Reading input data for simulation 3. time_step 3600 boundary_conditions flux flux diffusion_coefficient 0.0 - lengths 0.1 - dispersivities 0.015 + lengths 20*0.1 + dispersivities 20*0.015 stagnant 1 6.8e-6 0.3 0.1 END -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20. -WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. -WARNING: -Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... SOLUTION 0 # Original solution with KNO3 reenters units mmol/l @@ -340,9 +337,8 @@ Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... 30 plot_xy dist, TOT("Cl")*1000, color = Green, symbol = Diamond, symbol_size = 7 -end END -WARNING: -Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns... PRINT user_graph false @@ -819,15 +815,12 @@ Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns... time_step 3600 boundary_conditions flux flux diffusion_coefficient 0.0 - lengths 0.1 - dispersivities 0.015 + lengths 20*0.1 + dispersivities 20*0.015 stagnant 5 END -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20. -WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. -WARNING: -Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... SOLUTION 0 # Original solution reenters units mmol/l @@ -858,7 +851,6 @@ Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... 30 plot_xy dist, TOT("Cl")*1000, color = Green, symbol = Plus -end END -WARNING: -Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns... diff --git a/ex13b.out b/ex13b.out index f344d1338..d4289e433 100644 --- a/ex13b.out +++ b/ex13b.out @@ -418,15 +418,12 @@ Reading input data for simulation 3. time_step 3600 boundary_conditions flux flux diffusion_coefficient 0.0 - lengths 0.1 - dispersivities 0.015 + lengths 20*0.1 + dispersivities 20*0.015 stagnant 1 END -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20. -WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. -WARNING: -Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... SOLUTION 0 # Original solution reenters units mmol/l @@ -459,7 +456,6 @@ Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... 20 GRAPH_Y TOT("Na")*1000 TOT("Cl")*1000 -end END -WARNING: -Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns... diff --git a/ex13c.out b/ex13c.out index 133a732aa..915fc706f 100644 --- a/ex13c.out +++ b/ex13c.out @@ -738,15 +738,12 @@ Reading input data for simulation 3. time_step 3600 boundary_conditions flux flux diffusion_coefficient 0.0 - lengths 0.1 - dispersivities 0.015 + lengths 20*0.1 + dispersivities 20*0.015 stagnant 5 END -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20. -WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. -WARNING: -Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... SOLUTION 0 # Original solution reenters units mmol/l @@ -779,7 +776,6 @@ Calculating transport: 20 (mobile) cells, 5 shifts, 1 mixruns... 20 GRAPH_Y TOT("Na")*1000 TOT("Cl")*1000 -end END -WARNING: -Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 10 shifts, 1 mixruns... diff --git a/ex15.out b/ex15.out index 9a9a36643..ee723fbf4 100644 --- a/ex15.out +++ b/ex15.out @@ -141,12 +141,12 @@ Reading input data for simulation 1. -end -end TRANSPORT First 20 hours have NTA and cobalt in infilling solution cells 10 - lengths 1 + lengths 10*1 shifts 20 time_step 3600 flow_direction forward boundary_conditions flux flux - dispersivities .05 + dispersivities 10*.05 correct_disp true diffusion_coefficient 0.0 punch_cells 10 @@ -154,21 +154,17 @@ Reading input data for simulation 1. print_cells 10 print_frequency 5 COPY solution 101 0 # initial column solution becomes influent -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 10. -WARNING: Dispersivities were read for 1 cells. Last value is used till cell 10. END -WARNING: -Calculating transport: 10 (mobile) cells, 20 shifts, 1 mixruns... +Calculating transport: 10 (mobile) cells, 20 shifts, 1 mixruns... TRANSPORT Last 55 hours with background infilling solution shifts 55 COPY cell 100 0 # for the 20 cell model... COPY cell 101 1-20 END -WARNING: -Calculating transport: 10 (mobile) cells, 55 shifts, 1 mixruns... +Calculating transport: 10 (mobile) cells, 55 shifts, 1 mixruns... USER_PUNCH start @@ -198,13 +194,13 @@ Calculating transport: 10 (mobile) cells, 55 shifts, 1 mixruns... -end TRANSPORT First 20 hours have NTA and cobalt in infilling solution cells 20 - lengths 0.5 + lengths 20*0.5 shifts 40 initial_time 0 time_step 1800 flow_direction forward boundary_conditions flux flux - dispersivities .05 + dispersivities 20*.05 correct_disp true diffusion_coefficient 0.0 punch_cells 20 @@ -212,19 +208,15 @@ Calculating transport: 10 (mobile) cells, 55 shifts, 1 mixruns... print_cells 20 print_frequency 10 COPY cell 101 0 -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20. -WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. END WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH. -WARNING: -Calculating transport: 20 (mobile) cells, 40 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 40 shifts, 1 mixruns... TRANSPORT Last 55 hours with background infilling solution shifts 110 END -WARNING: -Calculating transport: 20 (mobile) cells, 110 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 110 shifts, 1 mixruns... diff --git a/ex15a.out b/ex15a.out index 0c18f49f7..747e04f03 100644 --- a/ex15a.out +++ b/ex15a.out @@ -127,12 +127,12 @@ Reading input data for simulation 1. -end TRANSPORT First 20 hours have NTA and cobalt in infilling solution cells 10 - lengths 1 + lengths 10*1 shifts 20 time_step 3600 flow_direction forward boundary_conditions flux flux - dispersivities .05 + dispersivities 10*.05 correct_disp true diffusion_coefficient 0.0 punch_cells 10 @@ -140,21 +140,17 @@ Reading input data for simulation 1. print_cells 10 print_frequency 5 COPY solution 101 0 # initial column solution becomes influent -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 10. -WARNING: Dispersivities were read for 1 cells. Last value is used till cell 10. END -WARNING: -Calculating transport: 10 (mobile) cells, 20 shifts, 1 mixruns... +Calculating transport: 10 (mobile) cells, 20 shifts, 1 mixruns... TRANSPORT Last 55 hours with background infilling solution shifts 55 COPY cell 100 0 # for the 20 cell model... COPY cell 101 1-20 END -WARNING: -Calculating transport: 10 (mobile) cells, 55 shifts, 1 mixruns... +Calculating transport: 10 (mobile) cells, 55 shifts, 1 mixruns... USER_PUNCH start @@ -175,13 +171,13 @@ Calculating transport: 10 (mobile) cells, 55 shifts, 1 mixruns... -end TRANSPORT First 20 hours have NTA and cobalt in infilling solution cells 20 - lengths 0.5 + lengths 20*0.5 shifts 40 initial_time 0 time_step 1800 flow_direction forward boundary_conditions flux flux - dispersivities .05 + dispersivities 20*.05 correct_disp true diffusion_coefficient 0.0 punch_cells 20 @@ -189,19 +185,15 @@ Calculating transport: 10 (mobile) cells, 55 shifts, 1 mixruns... print_cells 20 print_frequency 10 COPY cell 101 0 -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20. -WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. END WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH. -WARNING: -Calculating transport: 20 (mobile) cells, 40 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 40 shifts, 1 mixruns... TRANSPORT Last 55 hours with background infilling solution shifts 110 END -WARNING: -Calculating transport: 20 (mobile) cells, 110 shifts, 1 mixruns... +Calculating transport: 20 (mobile) cells, 110 shifts, 1 mixruns... diff --git a/ex15b.out b/ex15b.out index 3b5dcddd2..e7fde2399 100644 --- a/ex15b.out +++ b/ex15b.out @@ -111,12 +111,12 @@ Reading input data for simulation 1. end TRANSPORT First 20 hours have NTA and cobalt in infilling solution cells 10 - lengths 1 + lengths 10*1 shifts 20 time_step 3600 flow_direction forward boundary_conditions flux flux - dispersivities .05 + dispersivities 10*.05 correct_disp true diffusion_coefficient 0.0 punch_cells 10 @@ -125,8 +125,6 @@ Reading input data for simulation 1. print_frequency 5 warnings false USER_GRAPH Example 15B -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 10. -WARNING: Dispersivities were read for 1 cells. Last value is used till cell 10. -headings 10_cells: Co+2 CoNTA- Biomass -chart_title "Example 15, Sorbed Species" -axis_titles "Time / hours" "nmol / kgw" "Biomass / (mg/L)" @@ -143,11 +141,17 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 10. -end COPY solution 101 0 END + +Calculating transport: 10 (mobile) cells, 20 shifts, 1 mixruns... + TRANSPORT Last 55 hours with background infilling solution shifts 55 COPY cell 100 0 COPY cell 101 1-20 END + +Calculating transport: 10 (mobile) cells, 55 shifts, 1 mixruns... + USER_PUNCH start 10 punch TOTAL_TIME/3600 + 3600/4/3600 @@ -157,13 +161,13 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 10. end TRANSPORT First 20 hours have NTA and cobalt in infilling solution cells 20 - lengths 0.5 + lengths 20*0.5 shifts 40 initial_time 0 time_step 1800 flow_direction forward boundary_conditions flux flux - dispersivities .05 + dispersivities 20*.05 correct_disp true diffusion_coefficient 0.0 punch_cells 20 @@ -171,8 +175,6 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 10. print_cells 20 print_frequency 10 USER_GRAPH -WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20. -WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. -headings 20_cells: Co+2 CoNTA- Biomass -start 10 x = TOTAL_TIME/3600 + 3600/4/3600 @@ -183,6 +185,12 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. -end COPY cell 101 0 END + +Calculating transport: 20 (mobile) cells, 40 shifts, 1 mixruns... + TRANSPORT Last 55 hours with background infilling solution shifts 110 END + +Calculating transport: 20 (mobile) cells, 110 shifts, 1 mixruns... + diff --git a/ex20b.out b/ex20b.out index ac7b8d004..0dfc16cc6 100644 --- a/ex20b.out +++ b/ex20b.out @@ -250,6 +250,7 @@ Reading input data for simulation 7. PRINT selected_output false + warnings 0 END ------------------ End of simulation. @@ -1603,12 +1604,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 12. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -1885,12 +1880,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 13. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -3271,12 +3260,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 18. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -3553,12 +3536,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 19. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -3835,12 +3812,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 20. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -4117,12 +4088,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 21. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -4399,12 +4364,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 22. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -4679,12 +4638,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 23. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -5511,12 +5464,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 26. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -6065,12 +6012,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 28. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -7997,12 +7938,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 35. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -8279,12 +8214,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 36. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -9111,12 +9040,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 39. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -9943,12 +9866,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 42. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -10777,12 +10694,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 45. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -11059,12 +10970,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 46. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -11893,12 +11798,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 49. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -12451,12 +12350,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 51. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -12733,12 +12626,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 52. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -13291,12 +13178,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 54. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -13573,12 +13454,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 55. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -13855,12 +13730,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 56. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -14413,12 +14282,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 58. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -15523,12 +15386,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 62. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -15805,12 +15662,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 63. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -16363,12 +16214,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 65. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -16645,12 +16490,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 66. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -16927,12 +16766,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 67. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -17209,12 +17042,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 68. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -17767,12 +17594,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 70. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -18049,12 +17870,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 71. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -18331,12 +18146,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 72. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -18613,12 +18422,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 73. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -18895,12 +18698,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 74. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -19729,12 +19526,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 77. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -20287,12 +20078,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 79. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -20845,12 +20630,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 81. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -21127,12 +20906,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 82. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -22237,12 +22010,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 86. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -23623,12 +23390,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 91. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -24733,12 +24494,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 95. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -25015,12 +24770,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 96. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -25573,18 +25322,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - -WARNING: Maximum iterations exceeded, 200 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying increased tolerance 1e-14 ... - Using solution 1. Solution after simulation 98. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -25861,12 +25598,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 99. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -26419,12 +26150,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 101. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -26701,12 +26426,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 102. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -26983,12 +26702,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 103. Using solid solution assemblage 1. With [14C] Using reaction 1. @@ -27265,12 +26978,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 104. Using solid solution assemblage 1. With [14C] Using reaction 1. diff --git a/ex21.out b/ex21.out index d07704721..26fac9cb3 100644 --- a/ex21.out +++ b/ex21.out @@ -558,6 +558,7 @@ Reading input data for simulation 3. PRINT selected_output false + status false Reading data from radial ... PRINT @@ -933,8 +934,7 @@ WARNING: No porosities were read; used the value 1.59e-01 from -multi_D. 60 put(a, 2) 70 plot_xy days, equi("A_Hto"), y_axis = 2, color = Red, symbol = None END -WARNING: -Calculating transport: 1 (mobile) cells, 1120 shifts, 1 mixruns... +Calculating transport: 1 (mobile) cells, 1120 shifts, 1 mixruns... END diff --git a/ex22.out b/ex22.out index c0201883d..09fbe689e 100644 --- a/ex22.out +++ b/ex22.out @@ -23,6 +23,8 @@ Reading input data for simulation 1. TITLE Example 22.--Compare experimental CO2 solubilities at high CO2 pressure with Peng-Robinson calc`ns with fixed-volume gas_phase, 25, 50, 75, 100, 150 oC. + PRINT + warnings 0 SOLUTION 1 GAS_PHASE 1 fixed_volume @@ -119,8 +121,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Element C is contained in gas CO2(g) (which has 0.0 mass), -but is not in solution or other phases. Using solution 1. Using gas phase 1. Using reaction 1. @@ -2179,13 +2179,6 @@ O(0) 2.585e-14 Reaction step 23. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using reaction 1. @@ -2280,13 +2273,6 @@ O(0) 4.595e-12 Reaction step 24. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using reaction 1. @@ -2381,13 +2367,6 @@ O(0) 7.163e-10 Reaction step 25. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using reaction 1. @@ -2482,13 +2461,6 @@ O(0) 7.164e-10 Reaction step 26. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using reaction 1. @@ -2583,13 +2555,6 @@ O(0) 7.165e-10 Reaction step 27. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using reaction 1. @@ -2684,13 +2649,6 @@ O(0) 7.166e-10 Reaction step 28. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using reaction 1. @@ -2785,13 +2743,6 @@ O(0) 7.167e-10 Reaction step 29. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using reaction 1. @@ -2886,13 +2837,6 @@ O(0) 7.167e-10 Reaction step 30. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using reaction 1. @@ -2987,13 +2931,6 @@ O(0) 7.167e-10 Reaction step 31. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using reaction 1. @@ -3088,13 +3025,6 @@ O(0) 7.167e-10 Reaction step 32. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using reaction 1. @@ -3209,8 +3139,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Element C is contained in gas CO2(g) (which has 0.0 mass), -but is not in solution or other phases. Using solution 1. Using gas phase 1. Using temperature 2. @@ -5291,13 +5219,6 @@ O(0) 1.765e-14 Reaction step 23. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 2. @@ -5393,13 +5314,6 @@ O(0) 1.069e-08 Reaction step 24. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 2. @@ -5495,13 +5409,6 @@ O(0) 1.069e-08 Reaction step 25. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 2. @@ -5597,13 +5504,6 @@ O(0) 1.069e-08 Reaction step 26. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 2. @@ -5699,13 +5599,6 @@ O(0) 1.069e-08 Reaction step 27. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 2. @@ -5801,13 +5694,6 @@ O(0) 1.069e-08 Reaction step 28. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 2. @@ -5903,13 +5789,6 @@ O(0) 1.070e-08 Reaction step 29. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 2. @@ -6005,13 +5884,6 @@ O(0) 1.070e-08 Reaction step 30. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 2. @@ -6129,8 +6001,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Element C is contained in gas CO2(g) (which has 0.0 mass), -but is not in solution or other phases. Using solution 1. Using gas phase 1. Using temperature 3. @@ -8116,13 +7986,6 @@ O(0) 0.000e+00 Reaction step 22. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 3. @@ -8218,13 +8081,6 @@ O(0) 8.268e-11 Reaction step 23. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 3. @@ -8320,13 +8176,6 @@ O(0) 8.270e-11 Reaction step 24. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 3. @@ -8422,13 +8271,6 @@ O(0) 8.270e-11 Reaction step 25. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 3. @@ -8524,13 +8366,6 @@ O(0) 8.272e-11 Reaction step 26. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 3. @@ -8626,13 +8461,6 @@ O(0) 8.272e-11 Reaction step 27. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 3. @@ -8728,13 +8556,6 @@ O(0) 8.273e-11 Reaction step 28. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 3. @@ -8852,8 +8673,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Element C is contained in gas CO2(g) (which has 0.0 mass), -but is not in solution or other phases. Using solution 1. Using gas phase 1. Using temperature 4. @@ -10839,13 +10658,6 @@ O(0) 0.000e+00 Reaction step 22. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 4. @@ -10941,13 +10753,6 @@ O(0) 0.000e+00 Reaction step 23. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 4. @@ -11043,13 +10848,6 @@ O(0) 0.000e+00 Reaction step 24. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 4. @@ -11145,13 +10943,6 @@ O(0) 3.158e-09 Reaction step 25. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 4. @@ -11247,13 +11038,6 @@ O(0) 3.159e-09 Reaction step 26. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 4. @@ -11349,13 +11133,6 @@ O(0) 3.160e-09 Reaction step 27. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 4. @@ -11451,13 +11228,6 @@ O(0) 3.160e-09 Reaction step 28. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 4. @@ -11553,13 +11323,6 @@ O(0) 3.160e-09 Reaction step 29. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 4. @@ -11679,8 +11442,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Element C is contained in gas CO2(g) (which has 0.0 mass), -but is not in solution or other phases. Using solution 1. Using gas phase 1. Using temperature 5. @@ -13476,13 +13237,6 @@ O(0) 2.096e-14 Reaction step 20. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 5. @@ -13578,13 +13332,6 @@ O(0) 2.691e-12 Reaction step 21. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 5. @@ -13680,13 +13427,6 @@ O(0) 5.019e-11 Reaction step 22. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 5. @@ -13782,13 +13522,6 @@ O(0) 5.021e-11 Reaction step 23. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 5. @@ -13884,13 +13617,6 @@ O(0) 5.024e-11 Reaction step 24. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 5. @@ -13986,13 +13712,6 @@ O(0) 5.026e-11 Reaction step 25. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 5. @@ -14088,13 +13807,6 @@ O(0) 5.028e-11 Reaction step 26. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 5. @@ -14190,13 +13902,6 @@ O(0) 5.027e-11 Reaction step 27. -WARNING: Numerical method failed, switching to numerical derivatives. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 5. diff --git a/ex7.out b/ex7.out index 344fbc590..c2e715a78 100644 --- a/ex7.out +++ b/ex7.out @@ -1715,10 +1715,10 @@ CO2(g) -1.50 3.162e-02 2.997e-02 2.997e-02 0.000e+00 H2O(g) -1.50 3.141e-02 2.977e-02 2.977e-02 0.000e+00 N2(g) -99.99 0.000e+00 0.000e+00 0.000e+00 0.000e+00 -WARNING: While initializing gas phase composition by equilibrating: - Found definitions of gas` critical temperature and pressure. - Going to use Peng-Robinson in subsequent calculations. +While initializing gas phase composition by equilibrating: + Found definitions of gas critical temperature and pressure. + Going to use Peng-Robinson in subsequent calculations. ----------------------------------------- Beginning of batch-reaction calculations. ----------------------------------------- diff --git a/ex9.out b/ex9.out index bbae3a73f..349e2e55f 100644 --- a/ex9.out +++ b/ex9.out @@ -122,6 +122,8 @@ End of simulation. Reading input data for simulation 2. ------------------------------------ + PRINT + warnings 0 SOLUTION 1 pH 7.0 pe 10.0 O2(g) -0.67 @@ -236,8 +238,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Negative moles in solution 1 for Fe_tri, -6.102356e-06. Recovering... -WARNING: Negative moles in solution 1 for Fe_tri, -1.391921e-06. Recovering... Using solution 1. Using pure phase assemblage 1. Using kinetics 1.