mirror of
https://git.gfz-potsdam.de/naaice/iphreeqc.git
synced 2025-12-16 00:28:23 +01:00
384ebda905
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5853 1feff8c3-07ed-0310-ac33-dd36852eb9cd
251 lines
7.4 KiB
Plaintext
251 lines
7.4 KiB
Plaintext
|
|
|
|
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
|