mirror of
https://git.gfz-potsdam.de/naaice/iphreeqc.git
synced 2025-12-15 16:18:22 +01:00
d5345a7aee
git-subtree-dir: phreeqc3-examples git-subtree-mainline: 8de0e98ed90bb2b639659c820168ab18c1062992 git-subtree-split: e977363da4c1ae1708ebddca38d5312b6813a337
113 lines
3.4 KiB
Plaintext
113 lines
3.4 KiB
Plaintext
TITLE Example 12.--Advective and diffusive transport of heat and solutes.
|
|
Two different boundary conditions at column ends.
|
|
After diffusion temperature should equal Na-conc in mmol/l.
|
|
SOLUTION 0 24.0 mM KNO3
|
|
units mol/kgw
|
|
temp 0 # Incoming solution 0C
|
|
pH 7.0
|
|
pe 12.0 O2(g) -0.67
|
|
K 24.e-3
|
|
N(5) 24.e-3
|
|
SOLUTION 1-60 0.001 mM KCl
|
|
units mol/kgw
|
|
temp 25 # Column is at 25C
|
|
pH 7.0
|
|
pe 12.0 O2(g) -0.67
|
|
K 1e-6
|
|
Cl 1e-6
|
|
EXCHANGE_SPECIES
|
|
Na+ + X- = NaX
|
|
log_k 0.0
|
|
-gamma 4.0 0.075
|
|
|
|
H+ + X- = HX
|
|
log_k -99.
|
|
-gamma 9.0 0.0
|
|
|
|
K+ + X- = KX
|
|
log_k 0.0
|
|
gamma 3.5 0.015
|
|
EXCHANGE 1-60
|
|
KX 0.048
|
|
PRINT
|
|
-reset false
|
|
-selected_output false
|
|
-status false
|
|
SELECTED_OUTPUT
|
|
-file ex12.sel
|
|
-reset false
|
|
-dist true
|
|
-high_precision true
|
|
-temp true
|
|
USER_PUNCH
|
|
-head Na_mmol K_mmol Cl_mmol
|
|
10 PUNCH TOT("Na")*1000, TOT("K")*1000, TOT("Cl")*1000
|
|
TRANSPORT # Make column temperature 0C, displace Cl
|
|
-cells 60
|
|
-shifts 60
|
|
-flow_direction forward
|
|
-boundary_conditions flux flux
|
|
-lengths 0.333333
|
|
-dispersivities 0.0 # No dispersion
|
|
-diffusion_coefficient 0.0 # No diffusion
|
|
-thermal_diffusion 1.0 # No retardation for heat
|
|
END
|
|
SOLUTION 0 Fixed temp 24C, and NaCl conc (first type boundary cond) at inlet
|
|
units mol/kgw
|
|
temp 24
|
|
pH 7.0
|
|
pe 12.0 O2(g) -0.67
|
|
Na 24.e-3
|
|
Cl 24.e-3
|
|
SOLUTION 58-60 Same as soln 0 in cell 20 at closed column end (second type boundary cond)
|
|
units mol/kgw
|
|
temp 24
|
|
pH 7.0
|
|
pe 12.0 O2(g) -0.67
|
|
Na 24.e-3
|
|
Cl 24.e-3
|
|
EXCHANGE 58-60
|
|
NaX 0.048
|
|
PRINT
|
|
-selected_output true
|
|
TRANSPORT # Diffuse 24C, NaCl solution from column end
|
|
-shifts 1
|
|
-flow_direction diffusion
|
|
-boundary_conditions constant closed
|
|
-thermal_diffusion 3.0 # heat is retarded equal to Na
|
|
-diffusion_coefficient 0.3e-9 # m^2/s
|
|
-time_step 1.0e+10 # 317 years give 19 mixes
|
|
USER_GRAPH 1 Example 12
|
|
-headings Na Cl Temp Analytical
|
|
-chart_title "Diffusion of Solutes and Heat"
|
|
-axis_titles "Distance, in meters" "Millimoles per kilogram water", "Degrees celsius"
|
|
-axis_scale x_axis 0 20
|
|
-axis_scale y_axis 0 25
|
|
-axis_scale sy_axis 0 25
|
|
-initial_solutions false
|
|
-plot_concentration_vs x
|
|
-start
|
|
10 x = DIST
|
|
20 PLOT_XY x, TOT("Na")*1000, symbol = Plus
|
|
30 PLOT_XY x, TOT("Cl")*1000, symbol = Plus
|
|
40 PLOT_XY x, TC, symbol = XCross, color = Magenta, symbol_size = 8, y-axis 2
|
|
50 if (x > 10 OR SIM_TIME <= 0) THEN END
|
|
60 DATA 0.254829592, -0.284496736, 1.421413741, -1.453152027, 1.061405429, 0.3275911
|
|
70 READ a1, a2, a3, a4, a5, a6
|
|
# Calculate and plot Cl analytical...
|
|
80 z = x / (2 * SQRT(3e-10 * SIM_TIME / 1.0))
|
|
90 GOSUB 2000
|
|
100 PLOT_XY x, 24 * erfc, color = Blue, symbol = Circle, symbol_size = 10,\
|
|
line_width = 0
|
|
# Calculate and plot 3 times retarded Na and temperature analytical...
|
|
110 z = z * SQRT(3.0)
|
|
120 GOSUB 2000
|
|
130 PLOT_XY x, 24 * erfc, color = Blue, symbol = Circle, symbol_size = 10,\
|
|
line_width = 0
|
|
140 END
|
|
2000 REM calculate erfc...
|
|
2050 b = 1 / (1 + a6 * z)
|
|
2060 erfc = b * (a1 + b * (a2 + b * (a3 + b * (a4 + b * a5)))) * EXP(-(z * z))
|
|
2080 RETURN
|
|
-end
|
|
END |