PRINT ; -reset false; -echo_input true; -user_print true # filter cells at tracer-in side... SOLUTION 4; -water 1.3963e-003 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 7.7322e-005 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_ 5.0965e-004 5.2840e+005 6.6087e-004 Su_ii 7.4371e-006 Su_fes 6.9841e-007 -Donnan 1.6711e-009 EXCHANGE 5; -equil 5; X 6.2290e-004 SOLUTION 6; -water 9.5113e-005 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_ 6.2692e-004 5.2840e+005 8.1293e-004 Su_ii 9.1484e-006 Su_fes 8.5911e-007 -Donnan 1.6711e-009 EXCHANGE 6; -equil 6; X 7.6624e-004 SOLUTION 7; -water 1.1291e-004 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_ 7.4419e-004 5.2840e+005 9.6500e-004 Su_ii 1.0860e-005 Su_fes 1.0198e-006 -Donnan 1.6711e-009 EXCHANGE 7; -equil 7; X 9.0957e-004 SOLUTION 8; -water 1.3070e-004 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_ 8.6146e-004 5.2840e+005 1.1171e-003 Su_ii 1.2571e-005 Su_fes 1.1805e-006 -Donnan 1.6711e-009 EXCHANGE 8; -equil 8; X 1.0529e-003 SOLUTION 9; -water 1.4849e-004 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_ 9.7873e-004 5.2840e+005 1.2691e-003 Su_ii 1.4282e-005 Su_fes 1.3412e-006 -Donnan 1.6711e-009 EXCHANGE 9; -equil 9; X 1.1962e-003 SOLUTION 10; -water 1.6628e-004 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_ 1.0960e-003 5.2840e+005 1.4212e-003 Su_ii 1.5994e-005 Su_fes 1.5019e-006 -Donnan 1.6711e-009 EXCHANGE 10; -equil 10; X 1.3396e-003 SOLUTION 11; -water 1.8407e-004 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_ 1.2133e-003 5.2840e+005 1.5733e-003 Su_ii 1.7705e-005 Su_fes 1.6626e-006 -Donnan 1.6711e-009 EXCHANGE 11; -equil 11; X 1.4829e-003 SOLUTION 12; -water 2.0186e-004 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_ 1.3305e-003 5.2840e+005 1.7253e-003 Su_ii 1.9416e-005 Su_fes 1.8233e-006 -Donnan 1.6711e-009 EXCHANGE 12; -equil 12; X 1.6262e-003 SOLUTION 13; -water 2.1966e-004 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_ 1.4478e-003 5.2840e+005 1.8774e-003 Su_ii 2.1127e-005 Su_fes 1.9840e-006 -Donnan 1.6711e-009 EXCHANGE 13; -equil 13; X 1.7696e-003 SOLUTION 14; -water 2.3745e-004 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_ 1.5651e-003 5.2840e+005 2.0295e-003 Su_ii 2.2839e-005 Su_fes 2.1448e-006 -Donnan 1.6711e-009 EXCHANGE 14; -equil 14; X 1.9129e-003 SOLUTION 15; -water 2.5524e-004 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_ 1.6824e-003 5.2840e+005 2.1815e-003 Su_ii 2.4550e-005 Su_fes 2.3055e-006 -Donnan 1.6711e-009 EXCHANGE 15; -equil 15; X 2.0562e-003 # tracer-out filter cells... SOLUTION 16; -water 5.0266e-003 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-001 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-004 MIX 4; 5 1.9640e-004 MIX 5; 6 1.5725e-004 MIX 6; 7 1.8971e-004 MIX 7; 8 2.2216e-004 MIX 8; 9 2.5461e-004 MIX 9; 10 2.8706e-004 MIX 10; 11 3.1951e-004 MIX 11; 12 3.5196e-004 MIX 12; 13 3.8441e-004 MIX 13; 14 4.1686e-004 MIX 14; 15 4.4931e-004 MIX 15; 16 7.7653e-004 MIX 16; 17 4.2533e-003 END TRANSPORT -warnings true -shifts 1120 -flow diff; -cells 1; -bcon 1 2; -stag 15 -time 1.5429e+003 -multi_D true 2.5000e-009 1.5900e-001 0.0 9.9000e-001 -interlayer_D false 0.04 0.0 750 -punch_fr 14; -punch_c 17 USER_GRAPH 1 Example 21 -chart_title " Hto Diffusion to Outer Cell" -plot_csv_file Hto_rad.csv -axis_scale x_axis 0 20 -axis_titles "TIME, IN DAYS" "FLUX, IN 1e-15 MOL/M2/S" "ACCUMULATED MASS, IN 1e-11 MOL" -plot_concentration_vs time 10 days = total_time / (3600 * 24) 20 IF INSTR("Hto", "C") THEN mm = 1 ELSE mm = 1e-3 30 s1 = 1.0000e+015 * mm 40 s2 = 1e+011 * mm 50 a = equi("A_Hto") * s2 60 IF get(1) = 0 AND total_time > 0 THEN put(total_time, 1) 70 dt = get(1) 80 plot_xy days - dt / (2 * 3600 * 24), (a - get(2)) * s1 / s2 / dt / 8.2988e-003, color = Green, symbol = None 90 put(a, 2) 100 plot_xy days, equi("A_Hto") * s2, y_axis = 2, color = Red, symbol = None END TRANSPORT -shifts 0 -punch_fr 2; -punch_c 3-17 USER_GRAPH 1; -detach USER_GRAPH 5 Example 21 -chart_title "Hto Concentration Profile: Filter1 | Clay | Filter2" -axis_scale x_axis 0 2.2220e+001 -axis_scale y_axis 0 1.2000e-006 -axis_scale sy_axis 0 1.2000e-006 -axis_titles "DISTANCE, IN MILLIMETERS" "FREE PORE-WATER MOLALITY" "TOTAL MOLALITY" -headings Hto_free Hto_tot -plot_concentration_vs x -initial_solutions true 10 IF cell_no = 3 THEN xval = 0 ELSE xval = get(14) 20 IF (1 = 0 OR cell_no > 4) THEN GOTO 60 30 IF (cell_no = 4) THEN xval = xval + 0.5 * 1.8000e-003 40 IF (cell_no > 4 AND cell_no < 5) THEN xval = xval + 1.8000e-003 50 GOTO 200 60 IF (cell_no = 5) THEN xval = xval + 0.5 * 1.8000e-003 + 0.5 * 1.7109e-003 70 IF (cell_no > 5 AND cell_no < 16) THEN xval = xval + 1.7109e-003 ELSE GOTO 90 80 GOTO 200 90 IF (cell_no = 16) THEN xval = xval + 0.5 * 1.7109e-003 + 0.5 * 1.6000e-003 100 IF (cell_no > 16 AND cell_no <= 16) THEN xval = xval + 1.6000e-003 110 IF (cell_no = 17) THEN xval = xval + 0.5 * 1.6000e-003 200 y1 = TOT("Hto") 210 plot_xy xval * 1e3, y1, color = Blue, symbol = Plus 220 IF cell_no = 3 THEN put(y1, 15) 230 IF (cell_no < 5 OR cell_no > 15) THEN GOTO 400 240 y2 = SYS("Hto") / (tot("water") + edl("water")) 250 REM y2 = y2 / 1.4281e+001# conc / kg solid 260 plot_xy xval * 1e3, y2, symbol = Circle, y_axis = 2 270 IF (cell_no > 6) THEN GOTO 400 280 IF 1 THEN plot_xy 1.8000e+000, get(15), color = Black, symbol = None 290 IF 1 THEN plot_xy 2.0620e+001, get(15), color = Black, symbol = None 300 put(0, 15) 400 put(xval, 14) END