From 821dc551859b81fdbf5c5181a140cbdd14d84ef1 Mon Sep 17 00:00:00 2001 From: Darth Vader Date: Tue, 7 Jan 2025 20:03:03 +0000 Subject: [PATCH] Squashed 'examples/' changes from 8f9acfc7..1777f2bc 1777f2bc Merge branch 'mix_error' of github.com:dlparkhurst/phreeqc3-1 into mix_error da8a610a Fixed examples to have fewer warnings. Fixed headers of some database files. Changed some output from warnings to comments. git-subtree-dir: examples git-subtree-split: 1777f2bc99bd9b655e838908e0fdfb81bfdd1e3f --- Makefile.am | 2 ++ ex11 | 4 ++-- ex12 | 4 ++-- ex12a | 7 ++++--- ex13a | 4 ++-- ex13ac | 8 ++++---- ex13b | 4 ++-- ex13c | 4 ++-- ex15 | 8 ++++---- ex15a | 8 ++++---- ex15b | 8 ++++---- ex20b | 1 + ex21 | 1 + ex22 | 2 ++ ex9 | 2 ++ 15 files changed, 38 insertions(+), 29 deletions(-) diff --git a/Makefile.am b/Makefile.am index 2987311e6..39faa04d7 100644 --- a/Makefile.am +++ b/Makefile.am @@ -8,6 +8,8 @@ examplesdir = $(docdir)/examples dist_examples_DATA = $(EXAMPLES) EXAMPLES= \ + co2.dat \ + co2_VP.dat \ co2.tsv \ ex1 \ ex2 \ diff --git a/ex11 b/ex11 index 963492ce7..4e79007ac 100644 --- a/ex11 +++ b/ex11 @@ -58,13 +58,13 @@ USER_GRAPH 1 END TRANSPORT -cells 40 - -lengths 0.002 + -lengths 40*0.002 -shifts 100 -time_step 720.0 -flow_direction forward -boundary_conditions flux flux -diffusion_coefficient 0.0e-9 - -dispersivities 0.002 + -dispersivities 40*0.002 -correct_disp true -punch_cells 40 -punch_frequency 1 diff --git a/ex12 b/ex12 index ec5623013..512e4b753 100644 --- a/ex12 +++ b/ex12 @@ -47,8 +47,8 @@ TRANSPORT # Make column temperature 0C, displace Cl -shifts 60 -flow_direction forward -boundary_conditions flux flux - -lengths 0.333333 - -dispersivities 0.0 # No dispersion + -lengths 60*0.333333 + -dispersivities 60*0.0 # No dispersion -diffusion_coefficient 0.0 # No diffusion -thermal_diffusion 1.0 # No retardation for heat END diff --git a/ex12a b/ex12a index cfbe4262a..d0209b7c6 100644 --- a/ex12a +++ b/ex12a @@ -56,9 +56,9 @@ TRANSPORT # Diffuse 24C, NaCl solution from column ends -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 @@ -121,7 +121,8 @@ 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 -active true # See also PRINT; selected_output false diff --git a/ex13a b/ex13a index 129b568c1..97d393dfd 100644 --- a/ex13a +++ b/ex13a @@ -34,8 +34,8 @@ TRANSPORT -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 # 1 stagnant layer^, ^alpha, ^epsil(m), ^epsil(im) END diff --git a/ex13ac b/ex13ac index eeb735acb..2f5b8d8fd 100644 --- a/ex13ac +++ b/ex13ac @@ -34,8 +34,8 @@ TRANSPORT -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 # 1 stagnant layer^, ^alpha, ^epsil(m), ^epsil(im) END @@ -228,8 +228,8 @@ TRANSPORT -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 SOLUTION 0 # Original solution reenters diff --git a/ex13b b/ex13b index 259d02363..500f8a3d0 100644 --- a/ex13b +++ b/ex13b @@ -55,8 +55,8 @@ TRANSPORT -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 SOLUTION 0 # Original solution reenters diff --git a/ex13c b/ex13c index f5abdca98..49cf2903a 100644 --- a/ex13c +++ b/ex13c @@ -155,8 +155,8 @@ TRANSPORT -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 SOLUTION 0 # Original solution reenters diff --git a/ex15 b/ex15 index c6b731655..61a92d25f 100644 --- a/ex15 +++ b/ex15 @@ -135,12 +135,12 @@ USER_GRAPH 2 Example 15 -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 @@ -183,13 +183,13 @@ USER_GRAPH 2 -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 diff --git a/ex15a b/ex15a index aa49f9462..05baccd39 100644 --- a/ex15a +++ b/ex15a @@ -118,12 +118,12 @@ USER_GRAPH Example 15A -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 @@ -156,13 +156,13 @@ USER_GRAPH -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 diff --git a/ex15b b/ex15b index 219074e77..e836b8986 100644 --- a/ex15b +++ b/ex15b @@ -103,12 +103,12 @@ USER_PUNCH -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 @@ -147,13 +147,13 @@ USER_PUNCH -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 diff --git a/ex20b b/ex20b index 9fc9687c9..52fbd08b3 100644 --- a/ex20b +++ b/ex20b @@ -96,6 +96,7 @@ USER_PUNCH END PRINT -selected_output false + -warnings 0 END INCLUDE$ ex20_open END diff --git a/ex21 b/ex21 index e255d814d..6ba0a3c8b 100644 --- a/ex21 +++ b/ex21 @@ -357,5 +357,6 @@ USER_PUNCH END PRINT -selected_out false + -status false INCLUDE$ radial END diff --git a/ex22 b/ex22 index 7309ad8e3..5dc3a51ec 100644 --- a/ex22 +++ b/ex22 @@ -1,6 +1,8 @@ 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; -reset false +PRINT +-warnings 0 SOLUTION 1 GAS_PHASE 1 -fixed_volume diff --git a/ex9 b/ex9 index 488558409..cd34f3fe2 100644 --- a/ex9 +++ b/ex9 @@ -96,6 +96,8 @@ Goethite Fe_triOOH + 3 H+ = Fe_tri+3 + 2 H2O log_k -1.0 END +PRINT +-warnings 0 SOLUTION 1 pH 7.0 pe 10.0 O2(g) -0.67