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iphreeqc/phreeqc3-examples/radial
Max Lübke 7cc00e335a Bump Phreecq to version 3.8.2
2024-10-23 13:43:30 +02:00

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PRINT ; -reset false; -echo_input true; -user_print true
# filter cells at tracer-in side...
SOLUTION 4; -water 1.3963e-03
pH 7.6; pe 14 O2(g) -1.0; temp 23
Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
# cells in Opalinus Clay...
SOLUTION 5; -water 7.2695e-05
pH 7.6; pe 14 O2(g) -1.0; temp 23
Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
SURFACE 5; -equil 5;
Su_ 5.4363e-04 5.2840e+05 6.6087e-04
Su_ii 7.4371e-06
Su_fes 6.9841e-07
-Donnan 1.6843e-09 viscosity calc correct false
EXCHANGE 5; -equil 5;
X 5.8893e-04
SOLUTION 6; -water 8.9423e-05
pH 7.6; pe 14 O2(g) -1.0; temp 23
Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
SURFACE 6; -equil 6;
Su_ 6.6871e-04 5.2840e+05 8.1293e-04
Su_ii 9.1484e-06
Su_fes 8.5911e-07
-Donnan 1.6843e-09 viscosity calc correct false
EXCHANGE 6; -equil 6;
X 7.2444e-04
SOLUTION 7; -water 1.0615e-04
pH 7.6; pe 14 O2(g) -1.0; temp 23
Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
SURFACE 7; -equil 7;
Su_ 7.9380e-04 5.2840e+05 9.6500e-04
Su_ii 1.0860e-05
Su_fes 1.0198e-06
-Donnan 1.6843e-09 viscosity calc correct false
EXCHANGE 7; -equil 7;
X 8.5995e-04
SOLUTION 8; -water 1.2288e-04
pH 7.6; pe 14 O2(g) -1.0; temp 23
Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
SURFACE 8; -equil 8;
Su_ 9.1889e-04 5.2840e+05 1.1171e-03
Su_ii 1.2571e-05
Su_fes 1.1805e-06
-Donnan 1.6843e-09 viscosity calc correct false
EXCHANGE 8; -equil 8;
X 9.9547e-04
SOLUTION 9; -water 1.3960e-04
pH 7.6; pe 14 O2(g) -1.0; temp 23
Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
SURFACE 9; -equil 9;
Su_ 1.0440e-03 5.2840e+05 1.2691e-03
Su_ii 1.4282e-05
Su_fes 1.3412e-06
-Donnan 1.6843e-09 viscosity calc correct false
EXCHANGE 9; -equil 9;
X 1.1310e-03
SOLUTION 10; -water 1.5633e-04
pH 7.6; pe 14 O2(g) -1.0; temp 23
Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
SURFACE 10; -equil 10;
Su_ 1.1691e-03 5.2840e+05 1.4212e-03
Su_ii 1.5994e-05
Su_fes 1.5019e-06
-Donnan 1.6843e-09 viscosity calc correct false
EXCHANGE 10; -equil 10;
X 1.2665e-03
SOLUTION 11; -water 1.7306e-04
pH 7.6; pe 14 O2(g) -1.0; temp 23
Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
SURFACE 11; -equil 11;
Su_ 1.2942e-03 5.2840e+05 1.5733e-03
Su_ii 1.7705e-05
Su_fes 1.6626e-06
-Donnan 1.6843e-09 viscosity calc correct false
EXCHANGE 11; -equil 11;
X 1.4020e-03
SOLUTION 12; -water 1.8979e-04
pH 7.6; pe 14 O2(g) -1.0; temp 23
Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
SURFACE 12; -equil 12;
Su_ 1.4192e-03 5.2840e+05 1.7253e-03
Su_ii 1.9416e-05
Su_fes 1.8233e-06
-Donnan 1.6843e-09 viscosity calc correct false
EXCHANGE 12; -equil 12;
X 1.5375e-03
SOLUTION 13; -water 2.0651e-04
pH 7.6; pe 14 O2(g) -1.0; temp 23
Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
SURFACE 13; -equil 13;
Su_ 1.5443e-03 5.2840e+05 1.8774e-03
Su_ii 2.1127e-05
Su_fes 1.9840e-06
-Donnan 1.6843e-09 viscosity calc correct false
EXCHANGE 13; -equil 13;
X 1.6730e-03
SOLUTION 14; -water 2.2324e-04
pH 7.6; pe 14 O2(g) -1.0; temp 23
Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
SURFACE 14; -equil 14;
Su_ 1.6694e-03 5.2840e+05 2.0295e-03
Su_ii 2.2839e-05
Su_fes 2.1448e-06
-Donnan 1.6843e-09 viscosity calc correct false
EXCHANGE 14; -equil 14;
X 1.8085e-03
SOLUTION 15; -water 2.3997e-04
pH 7.6; pe 14 O2(g) -1.0; temp 23
Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
SURFACE 15; -equil 15;
Su_ 1.7945e-03 5.2840e+05 2.1815e-03
Su_ii 2.4550e-05
Su_fes 2.3055e-06
-Donnan 1.6843e-09 viscosity calc correct false
EXCHANGE 15; -equil 15;
X 1.9441e-03
# tracer-out filter cells...
SOLUTION 16; -water 5.0266e-03
pH 7.6; pe 14 O2(g) -1.0; temp 23
Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
# outside solution...
SOLUTION 17; -water 2.0000e-01
pH 7.6; pe 14 O2(g) -1.0; temp 23
Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
END
PHASES
A_Hto
Hto = Hto; log_k -15
A_Na_tr
Na_trCl = Na_tr+ + Cl-; log_k -14
A_Cl_tr
NaCl_tr = Na+ + Cl_tr-; log_k -14
A_Cs
CsCl = Cs+ + Cl-; log_k -13
EQUILIBRIUM_PHASES 17;
A_Hto 0 0
END
# mixing factors...
MIX 3; 4 6.6932e-04
MIX 4; 5 1.9357e-04
MIX 5; 6 1.5439e-04
MIX 6; 7 1.8625e-04
MIX 7; 8 2.1811e-04
MIX 8; 9 2.4997e-04
MIX 9; 10 2.8183e-04
MIX 10; 11 3.1369e-04
MIX 11; 12 3.4555e-04
MIX 12; 13 3.7741e-04
MIX 13; 14 4.0927e-04
MIX 14; 15 4.4113e-04
MIX 15; 16 7.6509e-04
MIX 16; 17 4.2533e-03
END
TRANSPORT
-warnings true
-shifts 1120
-flow diff; -cells 1; -bcon 1 2; -stag 15
-time 1.5429e+03
-multi_D true 2.5000e-09 1.5900e-01 0.0 1
-interlayer_D true 0.001 0.0 1300
-punch_fr 14; -punch_c 17
USER_GRAPH 1 Example 21
-chart_title " Hto Diffusion to Outer Cell"
-plot_tsv_file ex21_Hto_rad.tsv
-axis_scale x_axis 0 20
-axis_titles "TIME, IN DAYS" "FLUX, IN MOL/M2/S" "ACCUMULATED MASS, IN MOL"
-plot_concentration_vs time
10 days = total_time / (3600 * 24)
20 a = equi("A_Hto")
30 IF get(1) = 0 AND total_time > 0 THEN put(total_time, 1)
40 dt = get(1)
50 plot_xy days - dt / (2 * 3600 * 24), (a - get(2)) / dt / 8.2988e-03, color = Green, symbol = None
60 put(a, 2)
70 plot_xy days, equi("A_Hto"), y_axis = 2, color = Red, symbol = None
END
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