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Merge commit '3d759f69973bad20c855f53a0a75a3db3b35516a'

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Darth Vader 2025-01-07 20:00:06 +00:00
commit a7e6f6d4c8
15 changed files with 38 additions and 29 deletions
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2
phreeqc3-examples/Makefile.am
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@ -8,6 +8,8 @@ examplesdir = $(docdir)/examples
dist_examples_DATA = $(EXAMPLES) dist_examples_DATA = $(EXAMPLES)
EXAMPLES= \ EXAMPLES= \
co2.dat \
co2_VP.dat \
co2.tsv \ co2.tsv \
ex1 \ ex1 \
ex2 \ ex2 \

4
phreeqc3-examples/ex11
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@ -58,13 +58,13 @@ USER_GRAPH 1
END END
TRANSPORT TRANSPORT
-cells 40 -cells 40
-lengths 0.002 -lengths 40*0.002
-shifts 100 -shifts 100
-time_step 720.0 -time_step 720.0
-flow_direction forward -flow_direction forward
-boundary_conditions flux flux -boundary_conditions flux flux
-diffusion_coefficient 0.0e-9 -diffusion_coefficient 0.0e-9
-dispersivities 0.002 -dispersivities 40*0.002
-correct_disp true -correct_disp true
-punch_cells 40 -punch_cells 40
-punch_frequency 1 -punch_frequency 1

4
phreeqc3-examples/ex12
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@ -47,8 +47,8 @@ TRANSPORT # Make column temperature 0C, displace Cl
-shifts 60 -shifts 60
-flow_direction forward -flow_direction forward
-boundary_conditions flux flux -boundary_conditions flux flux
-lengths 0.333333 -lengths 60*0.333333
-dispersivities 0.0 # No dispersion -dispersivities 60*0.0 # No dispersion
-diffusion_coefficient 0.0 # No diffusion -diffusion_coefficient 0.0 # No diffusion
-thermal_diffusion 1.0 # No retardation for heat -thermal_diffusion 1.0 # No retardation for heat
END END

7
phreeqc3-examples/ex12a
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@ -56,9 +56,9 @@ TRANSPORT # Diffuse 24C, NaCl solution from column ends
-shifts 1 -shifts 1
-flow_direction diffusion -flow_direction diffusion
-boundary_conditions constant closed -boundary_conditions constant closed
-lengths 1.0 -lengths 20*1.0
-thermal_diffusion 3.0 # Heat is retarded equal to Na -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 -diffusion_coefficient 0.3e-9 # m^2/s
-time_step 1.0e+10 # 317 years, 19 substeps will be used -time_step 1.0e+10 # 317 years, 19 substeps will be used
SELECTED_OUTPUT SELECTED_OUTPUT
@ -121,7 +121,8 @@ END
# #
TRANSPORT # no need to redefine parameters that don't change from 20 cell model TRANSPORT # no need to redefine parameters that don't change from 20 cell model
-cells 60 -cells 60
-lengths 0.33333333333333333 -lengths 60*0.33333333333333333
-disp 60*0.0
-punch_cells 1-60 -punch_cells 1-60
SELECTED_OUTPUT SELECTED_OUTPUT
-active true # See also PRINT; selected_output false -active true # See also PRINT; selected_output false

4
phreeqc3-examples/ex13a
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@ -34,8 +34,8 @@ TRANSPORT
-time_step 3600 -time_step 3600
-boundary_conditions flux flux -boundary_conditions flux flux
-diffusion_coefficient 0.0 -diffusion_coefficient 0.0
-lengths 0.1 -lengths 20*0.1
-dispersivities 0.015 -dispersivities 20*0.015
-stagnant 1 6.8e-6 0.3 0.1 -stagnant 1 6.8e-6 0.3 0.1
# 1 stagnant layer^, ^alpha, ^epsil(m), ^epsil(im) # 1 stagnant layer^, ^alpha, ^epsil(m), ^epsil(im)
END END

8
phreeqc3-examples/ex13ac
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@ -34,8 +34,8 @@ TRANSPORT
-time_step 3600 -time_step 3600
-boundary_conditions flux flux -boundary_conditions flux flux
-diffusion_coefficient 0.0 -diffusion_coefficient 0.0
-lengths 0.1 -lengths 20*0.1
-dispersivities 0.015 -dispersivities 20*0.015
-stagnant 1 6.8e-6 0.3 0.1 -stagnant 1 6.8e-6 0.3 0.1
# 1 stagnant layer^, ^alpha, ^epsil(m), ^epsil(im) # 1 stagnant layer^, ^alpha, ^epsil(m), ^epsil(im)
END END
@ -228,8 +228,8 @@ TRANSPORT
-time_step 3600 -time_step 3600
-boundary_conditions flux flux -boundary_conditions flux flux
-diffusion_coefficient 0.0 -diffusion_coefficient 0.0
-lengths 0.1 -lengths 20*0.1
-dispersivities 0.015 -dispersivities 20*0.015
-stagnant 5 -stagnant 5
END END
SOLUTION 0 # Original solution reenters SOLUTION 0 # Original solution reenters

4
phreeqc3-examples/ex13b
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@ -55,8 +55,8 @@ TRANSPORT
-time_step 3600 -time_step 3600
-boundary_conditions flux flux -boundary_conditions flux flux
-diffusion_coefficient 0.0 -diffusion_coefficient 0.0
-lengths 0.1 -lengths 20*0.1
-dispersivities 0.015 -dispersivities 20*0.015
-stagnant 1 -stagnant 1
END END
SOLUTION 0 # Original solution reenters SOLUTION 0 # Original solution reenters

4
phreeqc3-examples/ex13c
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@ -155,8 +155,8 @@ TRANSPORT
-time_step 3600 -time_step 3600
-boundary_conditions flux flux -boundary_conditions flux flux
-diffusion_coefficient 0.0 -diffusion_coefficient 0.0
-lengths 0.1 -lengths 20*0.1
-dispersivities 0.015 -dispersivities 20*0.015
-stagnant 5 -stagnant 5
END END
SOLUTION 0 # Original solution reenters SOLUTION 0 # Original solution reenters

8
phreeqc3-examples/ex15
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@ -135,12 +135,12 @@ USER_GRAPH 2 Example 15
-end -end -end -end
TRANSPORT First 20 hours have NTA and cobalt in infilling solution TRANSPORT First 20 hours have NTA and cobalt in infilling solution
-cells 10 -cells 10
-lengths 1 -lengths 10*1
-shifts 20 -shifts 20
-time_step 3600 -time_step 3600
-flow_direction forward -flow_direction forward
-boundary_conditions flux flux -boundary_conditions flux flux
-dispersivities .05 -dispersivities 10*.05
-correct_disp true -correct_disp true
-diffusion_coefficient 0.0 -diffusion_coefficient 0.0
-punch_cells 10 -punch_cells 10
@ -183,13 +183,13 @@ USER_GRAPH 2
-end -end
TRANSPORT First 20 hours have NTA and cobalt in infilling solution TRANSPORT First 20 hours have NTA and cobalt in infilling solution
-cells 20 -cells 20
-lengths 0.5 -lengths 20*0.5
-shifts 40 -shifts 40
-initial_time 0 -initial_time 0
-time_step 1800 -time_step 1800
-flow_direction forward -flow_direction forward
-boundary_conditions flux flux -boundary_conditions flux flux
-dispersivities .05 -dispersivities 20*.05
-correct_disp true -correct_disp true
-diffusion_coefficient 0.0 -diffusion_coefficient 0.0
-punch_cells 20 -punch_cells 20

8
phreeqc3-examples/ex15a
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@ -118,12 +118,12 @@ USER_GRAPH Example 15A
-end -end
TRANSPORT First 20 hours have NTA and cobalt in infilling solution TRANSPORT First 20 hours have NTA and cobalt in infilling solution
-cells 10 -cells 10
-lengths 1 -lengths 10*1
-shifts 20 -shifts 20
-time_step 3600 -time_step 3600
-flow_direction forward -flow_direction forward
-boundary_conditions flux flux -boundary_conditions flux flux
-dispersivities .05 -dispersivities 10*.05
-correct_disp true -correct_disp true
-diffusion_coefficient 0.0 -diffusion_coefficient 0.0
-punch_cells 10 -punch_cells 10
@ -156,13 +156,13 @@ USER_GRAPH
-end -end
TRANSPORT First 20 hours have NTA and cobalt in infilling solution TRANSPORT First 20 hours have NTA and cobalt in infilling solution
-cells 20 -cells 20
-lengths 0.5 -lengths 20*0.5
-shifts 40 -shifts 40
-initial_time 0 -initial_time 0
-time_step 1800 -time_step 1800
-flow_direction forward -flow_direction forward
-boundary_conditions flux flux -boundary_conditions flux flux
-dispersivities .05 -dispersivities 20*.05
-correct_disp true -correct_disp true
-diffusion_coefficient 0.0 -diffusion_coefficient 0.0
-punch_cells 20 -punch_cells 20

8
phreeqc3-examples/ex15b
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@ -103,12 +103,12 @@ USER_PUNCH
-end -end
TRANSPORT First 20 hours have NTA and cobalt in infilling solution TRANSPORT First 20 hours have NTA and cobalt in infilling solution
-cells 10 -cells 10
-lengths 1 -lengths 10*1
-shifts 20 -shifts 20
-time_step 3600 -time_step 3600
-flow_direction forward -flow_direction forward
-boundary_conditions flux flux -boundary_conditions flux flux
-dispersivities .05 -dispersivities 10*.05
-correct_disp true -correct_disp true
-diffusion_coefficient 0.0 -diffusion_coefficient 0.0
-punch_cells 10 -punch_cells 10
@ -147,13 +147,13 @@ USER_PUNCH
-end -end
TRANSPORT First 20 hours have NTA and cobalt in infilling solution TRANSPORT First 20 hours have NTA and cobalt in infilling solution
-cells 20 -cells 20
-lengths 0.5 -lengths 20*0.5
-shifts 40 -shifts 40
-initial_time 0 -initial_time 0
-time_step 1800 -time_step 1800
-flow_direction forward -flow_direction forward
-boundary_conditions flux flux -boundary_conditions flux flux
-dispersivities .05 -dispersivities 20*.05
-correct_disp true -correct_disp true
-diffusion_coefficient 0.0 -diffusion_coefficient 0.0
-punch_cells 20 -punch_cells 20

1
phreeqc3-examples/ex20b
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@ -96,6 +96,7 @@ USER_PUNCH
END END
PRINT PRINT
-selected_output false -selected_output false
-warnings 0
END END
INCLUDE$ ex20_open INCLUDE$ ex20_open
END END

1
phreeqc3-examples/ex21
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@ -357,5 +357,6 @@ USER_PUNCH
END END
PRINT PRINT
-selected_out false -selected_out false
-status false
INCLUDE$ radial INCLUDE$ radial
END END

2
phreeqc3-examples/ex22
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@ -1,6 +1,8 @@
TITLE Example 22.--Compare experimental CO2 solubilities at high CO2 pressure with 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. Peng-Robinson calc`ns with fixed-volume gas_phase, 25, 50, 75, 100, 150 oC.
#PRINT; -reset false #PRINT; -reset false
PRINT
-warnings 0
SOLUTION 1 SOLUTION 1
GAS_PHASE 1 GAS_PHASE 1
-fixed_volume -fixed_volume

2
phreeqc3-examples/ex9
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@ -96,6 +96,8 @@ Goethite
Fe_triOOH + 3 H+ = Fe_tri+3 + 2 H2O Fe_triOOH + 3 H+ = Fe_tri+3 + 2 H2O
log_k -1.0 log_k -1.0
END END
PRINT
-warnings 0
SOLUTION 1 SOLUTION 1
pH 7.0 pH 7.0
pe 10.0 O2(g) -0.67 pe 10.0 O2(g) -0.67