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Updated for manual, mostly case for axes.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7125 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst
parent
2f81f71ce0
commit
a9d21427db
2
co2.tsv
2
co2.tsv
@ -1,4 +1,4 @@
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P 25.oC 50.oC 75.oC 100oC
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P 25C 50C 75C 100C
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10.7 0.3000
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26.3 0.7068
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35.8 0.9356
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Can't render this file because it has a wrong number of fields in line 2.
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4
ex11
4
ex11
@ -39,7 +39,7 @@ USER_PUNCH
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USER_GRAPH 1 Example 11
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-chart_title "Using ADVECTION Data Block"
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-headings Cl Na K Ca
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-axis_titles "PORE VOLUMES" "MILLIMOLES PER KILOGRAM WATER"
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-axis_titles "Pore volumes" "Millimoles per kilogram water"
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-axis_scale x_axis 0 2.5
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-axis_scale y_axis 0 1.4
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-plot_concentration_vs time
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@ -79,7 +79,7 @@ SELECTED_OUTPUT
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USER_GRAPH 2 Example 11
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-chart_title "Using TRANSPORT Data Block"
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-headings Cl Na K Ca Cl_analytical
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-axis_titles "PORE VOLUMES" "MILLIMOLES PER KILOGRAM WATER"
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-axis_titles "Pore volumes" "Millimoles per kilogram water"
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-axis_scale x_axis 0 2.5
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-axis_scale y_axis 0 1.4
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# -batch \temp\11.gif false # After saving, the chart on the monitor is closed.
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2
ex12
2
ex12
@ -80,7 +80,7 @@ TRANSPORT # Diffuse 24C, NaCl solution from column end
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USER_GRAPH 1 Example 12
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-headings Na Cl Temp Analytical
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-chart_title "Diffusion of Solutes and Heat"
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-axis_titles "DISTANCE, IN METERS" "MILLIMOLES PER KILOGRAM WATER", "DEGREES CELSIUS"
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-axis_titles "Distance, in meters" "Millimoles per kilogram water", "Degrees celsius"
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-axis_scale x_axis 0 20
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-axis_scale y_axis 0 25
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-axis_scale sy_axis 0 25
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6
ex13a
6
ex13a
@ -1,6 +1,6 @@
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TITLE Example 13A.--1 mmol/l NaCl/NO3 enters column with stagnant zones.
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TITLE Example 13A.--1 mmol/L NaCl/NO3 enters column with stagnant zones.
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Implicit definition of first-order exchange model.
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SOLUTION 0 # 1 mmol/l NaCl
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SOLUTION 0 # 1 mmol/L NaCl
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units mmol/l
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pH 7.0
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pe 13.0 O2(g) -0.7
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@ -61,7 +61,7 @@ TRANSPORT
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USER_GRAPH 1 Example 13A
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-headings Distance Na Cl
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-chart_title "Dual Porosity, First-Order Exchange with Implicit Mixing Factors"
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-axis_titles "DISTANCE, IN METERS" "MILLIMOLES PER KILOGRAM WATER"
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-axis_titles "Distance, in meters" "Millimoles per kilogram water"
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-axis_scale x_axis 0 2
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-axis_scale y_axis 0 0.8
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-plot_concentration_vs x
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2
ex13ac
2
ex13ac
@ -61,7 +61,7 @@ TRANSPORT
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USER_GRAPH 1 Examples 13A and 13C
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-headings 1st_Order Na Cl
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-chart_title "Dual Porosity, First Order and Finite Difference Approximations"
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-axis_titles "DISTANCE, IN METERS" "MILLIMOLES PER KILOGRAM WATER"
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-axis_titles "Distance, in meters" "Millimoles per kilogram water"
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-axis_scale x_axis 0 2
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-axis_scale y_axis 0 0.8
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-plot_concentration_vs x
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2
ex13b
2
ex13b
@ -81,7 +81,7 @@ TRANSPORT
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USER_GRAPH 1 Example 13B
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-headings Distance Na Cl
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-chart_title "Dual Porosity, First-Order Exchange with Explicit Mixing Factors"
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-axis_titles "DISTANCE, IN METERS" "MILLIMOLES PER KILOGRAM WATER"
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-axis_titles "Distance, in meters" "Millimoles per kilogram water"
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-axis_scale x_axis 0 2
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-axis_scale y_axis 0 0.8
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-plot_concentration_vs x
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2
ex13c
2
ex13c
@ -181,7 +181,7 @@ TRANSPORT
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USER_GRAPH 1 Example 13C
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-headings Distance Na Cl
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-chart_title "Dual Porosity, Finite-Difference Approximation"
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-axis_titles "DISTANCE, IN METERS" "MILLIMOLES PER KILOGRAM WATER"
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-axis_titles "Distance, in meters" "Millimoles per kilogram water"
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-axis_scale x_axis 0 2
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-axis_scale y_axis 0 0.8
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-plot_concentration_vs x
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2
ex14
2
ex14
@ -95,7 +95,7 @@ ADVECTION
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USER_GRAPH 1 Example 14
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-headings PV As(ppb) Ca(M) Mg(M) Na(M) pH
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-chart_title "Chemical Evolution of the Central Oklahoma Aquifer"
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-axis_titles "PORE VOLUMES OR SHIFT NUMBER" "Log(CONCENTRATION, IN PPB OR MOLAL)" "pH"
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-axis_titles "Pore volumes or shift number" "Log(Concentration, in ppb or molal)" "pH"
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-axis_scale x_axis 0 200
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-axis_scale y_axis 1e-6 100 auto auto Log
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10 GRAPH_X STEP_NO
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11
ex15
11
ex15
@ -102,7 +102,7 @@ USER_PUNCH
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USER_GRAPH 1 Example 15
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-headings 10_cells: Co+2 CoNTA- HNTA-2 pH
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-chart_title "Kinetic Biodegradation, Cell Growth, and Sorption: Dissolved Species"
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-axis_titles "TIME, IN HOURS" "MICROMOLES PER KILOGRAM WATER" "pH"
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-axis_titles "Time, in hours" "Micromoles per kilogram water" "pH"
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-axis_scale x_axis 0 75
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-axis_scale y_axis 0 4
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-axis_scale secondary_y_axis 5.799 6.8 0.2 0.1
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@ -118,7 +118,8 @@ USER_GRAPH 1 Example 15
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USER_GRAPH 2 Example 15
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-headings 10_cells: Co+2 CoNTA- Biomass
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-chart_title "Kinetic Biodegradation, Cell Growth, and Sorption: Sorbed Species"
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-axis_titles "TIME, IN HOURS" "NANOMOLES PER KILOGRAM WATER" "BIOMASS, IN MILLIGRAMS PER LITER"
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-axis_titles "Time, in hours" "Nanomoles per kilogram water" \
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"Biomass, in milligrams per liter"
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-axis_scale x_axis 0 75
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-axis_scale y_axis 0 2
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-axis_scale secondary_y_axis 0 0.4
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@ -127,8 +128,10 @@ USER_GRAPH 2 Example 15
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10 x = TOTAL_TIME/3600 + 3600/2/3600
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20 PLOT_XY -1, -1, line_width = 0, symbol_size = 0
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30 PLOT_XY x, KIN("Co_sorption") / 3.75e3 * 1e9, color = Red, line_width = 0, symbol_size = 4
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40 PLOT_XY x, KIN("CoNta_sorption") / 3.75e3 * 1e9, color = Green, line_width = 0, symbol_size = 4
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50 PLOT_XY x, KIN("Biomass") * 1e3, y-axis = 2, color = Magenta, line_width = 0, symbol_size = 4
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40 PLOT_XY x, KIN("CoNta_sorption") / 3.75e3 * 1e9, color = Green, line_width = 0, \
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symbol_size = 4
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50 PLOT_XY x, KIN("Biomass") * 1e3, y-axis = 2, color = Magenta, line_width = 0, \
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symbol_size = 4
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-end -end
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TRANSPORT First 20 hours have NTA and cobalt in infilling solution
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-cells 10
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2
ex17b
2
ex17b
@ -26,7 +26,7 @@ USER_GRAPH Example 17B
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-axis_scale x_axis 0 100
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-axis_scale y_axis -5 1. 1
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-axis_scale sy_axis -5 10 5 100
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-axis_titles "CONCENTRATION FACTOR" "Log(MOLALITY)" "Log(MOLES OF SOLID)"
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-axis_titles "Concentration factor" "Log(Molality)" "Log(Moles of solid)"
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-chart_title "Evaporating Black Sea water"
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-start
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10 graph_x 1 / tot("water")
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4
ex19
4
ex19
@ -34,8 +34,8 @@ REACTION 1
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USER_GRAPH Example 19
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-headings Linear Freundlich Langmuir
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-chart_title "Sorption Isotherms"
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-axis_titles "DISSOLVED Cd, IN MICROGRAMS PER KILOGRAM WATER" \
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"SORBED Cd, IN MICROGRAMS PER GRAM SOIL"
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-axis_titles "Dissolved Cd, in micrograms per kilogram water" \
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"Sorbed Cd, in micrograms per gram soil"
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-plot_tsv_file ex19_meas.tsv
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-axis_scale x_axis 0 40
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-axis_scale y_axis 0 6
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20
ex19b
20
ex19b
@ -1,4 +1,4 @@
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# Cd sorption on X, Hfo and OC in loamy soil
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TITLE Example 19B.--Cd sorption on X, Hfo and OC in loamy soil
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#
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PRINT
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-reset false
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@ -12,8 +12,10 @@ SURFACE_MASTER_SPECIES
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H_bc H_bcH2; H_be H_beH2; H_bg H_bgH2; H_cd H_cdH2
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H_cf H_cfH2; H_ch H_chH2; H_de H_deH2; H_dg H_dgH2
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SURFACE_SPECIES
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H_aH = H_aH; log_k 0; H_bH = H_bH; log_k 0; H_cH = H_cH; log_k 0; H_dH = H_dH; log_k 0;
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H_eH = H_eH; log_k 0; H_fH = H_fH; log_k 0; H_gH = H_gH; log_k 0; H_hH = H_hH; log_k 0;
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H_aH = H_aH; log_k 0; H_bH = H_bH; log_k 0; H_cH = H_cH; log_k 0; \
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H_dH = H_dH; log_k 0;
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H_eH = H_eH; log_k 0; H_fH = H_fH; log_k 0; H_gH = H_gH; log_k 0; \
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H_hH = H_hH; log_k 0;
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H_abH2 = H_abH2; log_k 0; H_adH2 = H_adH2; log_k 0; H_afH2 = H_afH2; log_k 0;
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H_ahH2 = H_ahH2; log_k 0; H_bcH2 = H_bcH2; log_k 0; H_beH2 = H_beH2; log_k 0;
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@ -99,7 +101,7 @@ SURFACE 1
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#
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# 3.5 mg OC, 0.025 meq total charge, distributed over the sites:
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# charge on 4 nHA sites: -2.84 / 4 * 3.5e-3 / 1e3 (eq)
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H_a 2.48e-06 46.5e3 3.50E-03
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H_a 2.48e-06 46.5e3 3.50e-03
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H_b 2.48e-06; H_c 2.48e-06; H_d 2.48e-06
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# charge on 4 nHB sites: 0.5 * charge on nHA sites
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H_e 1.24e-06; H_f 1.24e-06; H_g 1.24e-06; H_h 1.24e-06
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@ -127,8 +129,8 @@ REACTION 1
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USER_GRAPH Example 19
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-headings Cd_HumicAcids CdX2 Cd_Hfo TOTAL
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-chart_title "Deterministic Sorption Model"
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-axis_titles "DISSOLVED Cd, IN MICROGRAMS PER KILOGRAM WATER" \
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"SORBED Cd, IN MICROGRAMS PER GRAM SOIL"
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-axis_titles "Dissolved Cd, in micrograms per kilogram water" \
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"Sorbed Cd, in micrograms per gram soil"
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-plot_tsv_file ex19_meas.tsv
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-axis_scale x_axis 0 40
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-axis_scale y_axis 0 6
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@ -136,13 +138,15 @@ USER_GRAPH Example 19
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-start
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10 H_Cd = SURF("Cd", "H") + EDL("Cd", "H")
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20 print CHR$(10) + " ug Cd/L =", tot("Cd") * 112.4e6, " ug Cd/g = ", H_Cd * 112.4e6 \
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," Kd (L/kg) = ", H_Cd*1e3/tot("Cd"), " ug Cd/g in DL =", EDL("Cd", "H") * 112.4e6
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," Kd (L/kg) = ", H_Cd*1e3/tot("Cd"), " ug Cd/g in DL =", \
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EDL("Cd", "H") * 112.4e6
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30 print "Excess meq Ca in DL =", EDL("Ca", "H")*2 - EDL("water", "H") * tot("Ca")*2
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40 print "Excess meq Cl in DL =", EDL("Cl", "H") - EDL("water", "H") * tot("Cl")
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50 print "Surface charge =", EDL("Charge", "H")
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55 af_OM = 1 / 9
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60 H_Ca = (SURF("Ca", "H") + EDL("Ca", "H")) * af_OM
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70 print 'Total Ca in/on organic matter =', H_Ca, ' CEC on OM =' H_Ca*200/TOT("X"), '%.'
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70 print 'Total Ca in/on organic matter =', H_Ca, ' CEC on OM =' H_Ca*200/TOT("X"),\
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'%.'
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80 x = TOT("Cd") * 112.4e6
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90 H_Cd = H_Cd * 112.4e6 * af_OM
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100 CdX2 = mol("CdX2") * 112.4e6 * 0.96
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47
ex21
47
ex21
@ -1,4 +1,5 @@
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TITLE Diffusion through Opalinus Clay in a radial diffusion cell, Appelo and others, 2010, GCA 74, 1201
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TITLE Diffusion through Opalinus Clay in a radial diffusion cell,
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Appelo and others, 2010, GCA, v. 74, p. 1201-1219.
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SOLUTION_MASTER_SPECIES
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# element species alk gfw_formula element_gfw
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Hto Hto 0.0 20 20
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@ -44,9 +45,9 @@ SOLUTION 3 tracer solution
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Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
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Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
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# uncomment tracer concentrations and kg water 1 by 1...
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Hto 1.14e-6; -water 0.2
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# Hto 1.14e-6; -water 0.2
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# Cl_tr 2.505e-2; -water 0.502
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# Cs 1; Na_tr 1.87e-7; -water 1.02
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Cs 1; Na_tr 1.87e-7; -water 1.02
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SELECTED_OUTPUT
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-file radial; -reset false
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USER_PUNCH
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@ -101,7 +102,7 @@ USER_PUNCH
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400 f_DL_charge = 0.45 # fraction of CEC charge in electrical double layer
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410 tort_n = -0.99 # exponent in Archie's law, -1.045 without filters
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420 G_clay = por_clay^tort_n # geometrical factor
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430 interlayer_D$ = 'false' # 'true' or 'false' for interlayer diffusion
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430 interlayer_D$ = 'true' # 'true' or 'false' for interlayer diffusion
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440 G_IL = 700 # geometrical factor for clay interlayers
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450 punch_time = 60 * 60 * 6 # punch time / seconds
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460 profile$ = 'true' # 'true' or 'false' for c/x profile visualization
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@ -255,7 +256,8 @@ USER_PUNCH
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2200 punch nl$ + ' -chart_title " ' + tracer$(tracer + i) + ' Diffusion to Outer Cell"'
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2210 punch nl$ + ' -plot_tsv_file ex21_' + tracer$(tracer + i) + '_rad.tsv'
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2220 punch nl$ + ' -axis_scale x_axis 0 ' + TRIM(STR$(exp_time(tracer + i) / (3600 * 24)))
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2230 punch nl$ + ' -axis_titles "TIME, IN DAYS" "FLUX, IN MOL/M2/S" "ACCUMULATED MASS, IN MOL"'
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2230 punch nl$ + ' -axis_titles "Time, in days" "Flux, in moles per square meter per second" \
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"Accumulated mass, in moles"'
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2240 punch nl$ + ' -plot_concentration_vs time'
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2250 punch nl$ + ' 10 days = total_time / (3600 * 24)'
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2260 punch nl$ + ' 20 a = equi("A_' + tracer$(tracer + i) + '")'
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@ -263,9 +265,11 @@ USER_PUNCH
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||||
2280 punch nl$ + ' 40 dt = get(1)'
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2290 A = 2 * pi * r_ext * height
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2300 i$ = TRIM(STR$(2 + i))
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2310 punch nl$ + ' 50 plot_xy days - dt / (2 * 3600 * 24), (a - get(' + i$ + ')) / dt /' + STR$(A) +', color = Green, symbol = None'
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2310 punch nl$ + ' 50 plot_xy days - dt / (2 * 3600 * 24), (a - get(' + i$ + ')) / dt /' + STR$(A) + \
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||||
', color = Green, symbol = None'
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2320 punch nl$ + ' 60 put(a, ' + i$ + ')'
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2330 punch nl$ + ' 70 plot_xy days, equi("A_' + tracer$(tracer + i) + '"), y_axis = 2, color = Red, symbol = None'
|
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2330 punch nl$ + ' 70 plot_xy days, equi("A_' + tracer$(tracer + i) + \
|
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'"), y_axis = 2, color = Red, symbol = None'
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2340 IF tracer < 3 THEN GOTO 2360
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2350 NEXT i
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2360 punch nl$ + 'END'
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@ -297,32 +301,41 @@ USER_PUNCH
|
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3070 punch nl$ + ' -axis_scale x_axis 0 ' + TRIM(STR$((thickn_filter1 + thickn_clay + thickn_filter2) * 1e3))
|
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3080 punch nl$ + ' -axis_scale y_axis ' + profile_y1$(tracer)
|
||||
3090 punch nl$ + ' -axis_scale sy_axis ' + profile_y2$(tracer)
|
||||
3100 punch nl$ + ' -axis_titles ' + '"DISTANCE, IN MILLIMETERS" "FREE PORE-WATER MOLALITY" "TOTAL MOLALITY"'
|
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3100 punch nl$ + ' -axis_titles ' + '"Distance, in millimeters" "Free pore-water molality" "Total molality"'
|
||||
3110 punch nl$ + ' -headings ' + tracer$(tracer) + '_free ' + tracer$(tracer) + '_tot'
|
||||
3120 punch nl$ + ' -plot_concentration_vs x'
|
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3130 punch nl$ + ' -initial_solutions true'
|
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3140 punch nl$ + ' 10 IF cell_no = 3 THEN xval = 0 ELSE xval = get(14)'
|
||||
3150 punch nl$ + ' 20 IF (' + TRIM(STR$(nfilt1)) + ' = 0 OR cell_no > ' + TRIM(STR$(nfilt1 + 3)) + ') THEN GOTO 60'
|
||||
3160 punch nl$ + ' 30 IF (cell_no = 4) THEN xval = xval + 0.5 * ' + TRIM(STR$(xf1))
|
||||
3170 punch nl$ + ' 40 IF (cell_no > 4 AND cell_no < ' + TRIM(STR$(nfilt1 + 4)) + ') THEN xval = xval + ' + TRIM(STR$(xf1))
|
||||
3170 punch nl$ + ' 40 IF (cell_no > 4 AND cell_no < ' + TRIM(STR$(nfilt1 + 4)) + \
|
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') THEN xval = xval + ' + TRIM(STR$(xf1))
|
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3180 punch nl$ + ' 50 GOTO 200'
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3190 punch nl$ + ' 60 IF (cell_no = ' + TRIM(STR$(4 + nfilt1)) + ') THEN xval = xval + 0.5 * ' + TRIM(STR$(xf1)) + ' + 0.5 * ' + TRIM(STR$(x))
|
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3200 punch nl$ + ' 70 IF (cell_no > ' + TRIM(STR$(4 + nfilt1)) + ' AND cell_no < ' + TRIM(STR$(4 + nfilt1 + nclay)) + ') THEN xval = xval + ' + TRIM(STR$(x)) + ' ELSE GOTO 90'
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3190 punch nl$ + ' 60 IF (cell_no = ' + TRIM(STR$(4 + nfilt1)) + ') THEN xval = xval + 0.5 * ' + \
|
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TRIM(STR$(xf1)) + ' + 0.5 * ' + TRIM(STR$(x))
|
||||
3200 punch nl$ + ' 70 IF (cell_no > ' + TRIM(STR$(4 + nfilt1)) + ' AND cell_no < ' + \
|
||||
TRIM(STR$(4 + nfilt1 + nclay)) + ') THEN xval = xval + ' + TRIM(STR$(x)) + ' ELSE GOTO 90'
|
||||
3210 punch nl$ + ' 80 GOTO 200'
|
||||
3220 punch nl$ + ' 90 IF (cell_no = ' + TRIM(STR$(4 + nfilt1 + nclay)) + ') THEN xval = xval + 0.5 * ' + TRIM(STR$(x)) + ' + 0.5 * ' + TRIM(STR$(xf2))
|
||||
3230 punch nl$ + ' 100 IF (cell_no > ' + TRIM(STR$(4 + nfilt1 + nclay)) + ' AND cell_no <= ' + TRIM(STR$(3 + nfilt1 + nclay + nfilt2)) + ') THEN xval = xval + ' + TRIM(STR$(xf2))
|
||||
3240 punch nl$ + ' 110 IF (cell_no = ' + TRIM(STR$(4 + nfilt1 + nclay + nfilt2)) + ') THEN xval = xval + 0.5 * ' + TRIM(STR$(xf2))
|
||||
3220 punch nl$ + ' 90 IF (cell_no = ' + TRIM(STR$(4 + nfilt1 + nclay)) + ') THEN xval = xval + 0.5 * ' + \
|
||||
TRIM(STR$(x)) + ' + 0.5 * ' + TRIM(STR$(xf2))
|
||||
3230 punch nl$ + ' 100 IF (cell_no > ' + TRIM(STR$(4 + nfilt1 + nclay)) + ' AND cell_no <= ' + \
|
||||
TRIM(STR$(3 + nfilt1 + nclay + nfilt2)) + ') THEN xval = xval + ' + TRIM(STR$(xf2))
|
||||
3240 punch nl$ + ' 110 IF (cell_no = ' + TRIM(STR$(4 + nfilt1 + nclay + nfilt2)) + \
|
||||
') THEN xval = xval + 0.5 * ' + TRIM(STR$(xf2))
|
||||
3250 punch nl$ + ' 200 y1 = TOT("' + tracer$(tracer) + '")'
|
||||
3260 punch nl$ + ' 210 plot_xy xval * 1e3, y1, color = Blue, symbol = Plus'
|
||||
3270 punch nl$ + ' 220 IF cell_no = 3 THEN put(y1, 15)'
|
||||
3280 punch nl$ + ' 230 IF (cell_no < ' + TRIM(STR$(4 + nfilt1)) + ' OR cell_no > ' + TRIM(STR$(3 + nfilt1 + nclay)) + ') THEN GOTO 400'
|
||||
3280 punch nl$ + ' 230 IF (cell_no < ' + TRIM(STR$(4 + nfilt1)) + ' OR cell_no > ' + \
|
||||
TRIM(STR$(3 + nfilt1 + nclay)) + ') THEN GOTO 400'
|
||||
3290 punch nl$ + ' 240 y2 = SYS("' + tracer$(tracer) + '") / (tot("water") + edl("water"))'
|
||||
# Remove REM if total conc's per kg solid must be plotted (and adapt axis_titles)...
|
||||
3310 punch nl$ + ' 250 REM y2 = y2 / ' + TRIM(STR$(rho_b_eps)) + x$ + ' conc / kg solid'
|
||||
3320 punch nl$ + ' 260 plot_xy xval * 1e3, y2, symbol = Circle, y_axis = 2'
|
||||
3330 punch nl$ + ' 270 IF (cell_no > ' + TRIM(STR$(5 + nfilt1)) + ') THEN GOTO 400'
|
||||
3340 punch nl$ + ' 280 IF ' + TRIM(STR$(nfilt1)) + ' THEN plot_xy ' + TRIM(STR$(thickn_filter1 * 1e3)) + ', get(15), color = Black, symbol = None'
|
||||
3350 punch nl$ + ' 290 IF ' + TRIM(STR$(nfilt2)) + ' THEN plot_xy ' + TRIM(STR$((thickn_filter1 + thickn_clay) * 1e3)) + ', get(15), color = Black, symbol = None'
|
||||
3340 punch nl$ + ' 280 IF ' + TRIM(STR$(nfilt1)) + ' THEN plot_xy ' + TRIM(STR$(thickn_filter1 * 1e3)) + \
|
||||
', get(15), color = Black, symbol = None'
|
||||
3350 punch nl$ + ' 290 IF ' + TRIM(STR$(nfilt2)) + ' THEN plot_xy ' + \
|
||||
TRIM(STR$((thickn_filter1 + thickn_clay) * 1e3)) + ', get(15), color = Black, symbol = None'
|
||||
3360 punch nl$ + ' 300 put(0, 15)'
|
||||
3370 punch nl$ + ' 400 put(xval, 14)'
|
||||
3380 punch nl$ + 'END'
|
||||
|
||||
22
ex22
22
ex22
@ -1,5 +1,5 @@
|
||||
TITLE Compare experimental CO2 solubilities at high CO2 pressure with
|
||||
Peng-Robinson calc'ns with fixed-volume gas_phase, 25, 50, 75, 100 oC.
|
||||
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 oC.
|
||||
SOLUTION 1
|
||||
GAS_PHASE 1
|
||||
-fixed_volume
|
||||
@ -9,18 +9,20 @@ REACTION
|
||||
CO2 1; 0 27*1
|
||||
INCREMENTAL_REACTIONS true
|
||||
|
||||
USER_GRAPH 1 Example 22, CO2 solubility at high pressures, 25 - 100 oC
|
||||
USER_GRAPH 1 Example 22, CO2 solubility at high pressures, 25 - 100C
|
||||
-plot_tsv_file co2.tsv
|
||||
-axis_titles "PRESSURE, IN ATMOSPHERES" "CO2 CONCENTRATION, IN MOLES PER KILOGRAM WATER"
|
||||
-axis_titles "Pressure, in atmospheres" \
|
||||
"CO2 concentration, in moles per kilogram water"
|
||||
-axis_scale x_axis 0 500
|
||||
-axis_scale y_axis 0 2
|
||||
-connect_simulations false
|
||||
10 graph_x PR_P("CO2(g)")
|
||||
20 graph_y TOT("C(4)")
|
||||
-end
|
||||
USER_GRAPH 2 Example 22, P-Vm of CO2 gas, 25 - 100 oC
|
||||
-headings 25.oC
|
||||
-axis_titles "MOLAR VOLUME OF CO2 GAS, IN LITERS PER MOLE" "CO2 PRESSURE, IN ATMOSPHERES"
|
||||
USER_GRAPH 2 Example 22, P-Vm of CO2 gas, 25 - 100C
|
||||
-headings 25C
|
||||
-axis_titles "Molar volume of CO2 gas, in liters per mole" \
|
||||
"CO2 pressure, in atmospheres"
|
||||
-axis_scale x_axis 0 1
|
||||
-axis_scale y_axis 0 500
|
||||
-connect_simulations false
|
||||
@ -34,7 +36,7 @@ USE reaction 1
|
||||
REACTION_TEMPERATURE 2
|
||||
50
|
||||
USER_GRAPH 2
|
||||
-headings 50.oC
|
||||
-headings 50C
|
||||
END
|
||||
|
||||
USE solution 1
|
||||
@ -43,7 +45,7 @@ USE reaction 1
|
||||
REACTION_TEMPERATURE 3
|
||||
75
|
||||
USER_GRAPH 2
|
||||
-headings 75.oC
|
||||
-headings 75C
|
||||
END
|
||||
|
||||
USE solution 1
|
||||
@ -52,5 +54,5 @@ USE reaction 1
|
||||
REACTION_TEMPERATURE 4
|
||||
100
|
||||
USER_GRAPH 2
|
||||
-headings 100oC
|
||||
-headings 100C
|
||||
END
|
||||
|
||||
Loading…
x
Reference in New Issue
Block a user