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94 lines
3.6 KiB
Plaintext
94 lines
3.6 KiB
Plaintext
DATABASE ../database/phreeqc.dat
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#PRINT
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# -reset false
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TITLE Example 12b.--Compare traditional and multicomponent diffusive transport of heat and solutes.
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Multicomponent diffusion coefficients decrease with the viscosity of the solution, changing more as temperature decreases.
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SOLUTION 0 Fixed temp 24C, and NaCl conc (first type boundary cond) at inlet
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temp 24; Na 24; Cl 24
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SOLUTION 1-31 24 mM KBr, initial temp 0C
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temp 0; K 24; Br 24
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EXCHANGE_SPECIES
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K+ + X- = KX
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EXCHANGE 1-31
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KX 0.048
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END
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TRANSPORT
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-cells 10
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-lengths 0.3333333
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-shifts 1
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-flow_direction diffusion
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-boundary_conditions constant closed
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-thermal_diffusion 3.0 # heat is retarded equal to Na
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-diffusion_coefficient 0.3e-9 # m^2/s
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# -multi_d true 0.3e-9 1 0.05 1.0 false
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# -implicit true
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-time_step 1.0e+9 1 # max_mixf = 2/9 = Dt_max * De / Dx^2. Dt_max = 8.2140e+07 seconds, Number of mixes = 1e10 / 8.214e7 = 122
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USER_GRAPH 1 Example 12b
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-headings Tradit:Na Cl TC Analyt
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# -headings TC Analyt
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-chart_title "Compare traditional and multicomponent diffusive transport"
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-axis_titles "DISTANCE, IN METERS" "MILLIMOLES PER KILOGRAM WATER", "DEGREES CELSIUS"
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-initial_solutions false
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-plot_concentration_vs x
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-axis_scale sy_axis 0
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-start
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10 x = DIST
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20 PLOT_XY x, TOT("Na")*1000, symbol = Plus
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30 PLOT_XY x, TOT("Cl")*1000, symbol = Plus
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40 PLOT_XY x, TC, symbol = XCross, y-axis 2 : print tc, diff_c("Cl-")
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50 if (x > 10 OR SIM_TIME <= 0) THEN END
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60 DATA 0.254829592, -0.284496736, 1.421413741, -1.453152027, 1.061405429, 0.3275911
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70 READ a1, a2, a3, a4, a5, a6
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# Calculate and plot Cl analytical...
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80 z = x / (2 * SQRT(3e-10 * SIM_TIME / 1.0))
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90 GOSUB 2000
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100 PLOT_XY x, 24 * erfc, color = Green, symbol = Square, symbol_size = 8,\
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line_width = 0
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# Calculate and plot 3 times retarded Na and temperature analytical...
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110 z = z * SQRT(3.0)
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120 GOSUB 2000
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130 PLOT_XY x, 24 * erfc, color = Blue, symbol = Square, symbol_size = 8,\
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line_width = 0
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140 END
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2000 REM calculate erfc...
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2050 b = 1 / (1 + a6 * z)
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2060 erfc = b * (a1 + b * (a2 + b * (a3 + b * (a4 + b * a5)))) * EXP(-(z * z))
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2080 RETURN
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-end
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END
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# Reinitialize the column...
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copy cell 31 1-30
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END
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TRANSPORT
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-shifts 1
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-multi_d true 2.33e-9 1 0.05 0 false # will give the traditional results when tc = 25 throughout
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-thermal_diffusion 3.0 2.33e-9 # define the diffusion coefficient for heat equal to Na
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USER_GRAPH 1 Example 12b
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-headings MultiD&Visc:Na Cl TC
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-start
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10 x = DIST
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20 PLOT_XY x, TOT("Na")*1000, symbol = Circle, line_width = 0, symbol_size = 5, color = Red
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30 PLOT_XY x, TOT("Cl")*1000, symbol = Circle, line_width = 0, symbol_size = 5, color = Green
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40 PLOT_XY x, TC, symbol = Circle, line_width = 0, symbol_size = 5, y-axis 2, color = Blue
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END
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# Reinitialize the column...
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copy cell 31 1-30
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USER_GRAPH 1; -connect_simulations false
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END
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TRANSPORT
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-shifts 1
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-multi_d true 2.33e-9 1 0.05 0 false # will give the traditional results when tc = 25 throughout
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-thermal_diffusion 3.0 2.33e-9 # define the diffusion coefficient for heat equal to Na
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-implicit true 3 -12 # max_mixf = 3, min_dif_LM = -12
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USER_GRAPH 1 Example 12b
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-headings MultiD&Visc&Implicit:Na Cl TC
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-start
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10 x = DIST
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20 PLOT_XY x, TOT("Na")*1000, symbol = XCross, line_width = 0, symbol_size = 9, color = Red
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30 PLOT_XY x, TOT("Cl")*1000, symbol = XCross, line_width = 0, symbol_size = 9, color = Green
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40 PLOT_XY x, TC, symbol = XCross, line_width = 0, symbol_size = 9, y-axis 2, color = Blue
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END
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