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added missing files; added to ignore lists

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git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/zedgraph@7206 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
Scott R Charlton 2012-12-14 04:52:54 +00:00
parent 87acf4aea8
commit 822b39351d
12 changed files with 5141 additions and 0 deletions
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345
IPhreeqc.2005.vcproj.GS.charlton.user Normal file
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992
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TITLE Example 19.--Linear, Freundlich and Langmuir isotherms for
Cd sorption on loamy sand. Calculates Example 7.1
from Appelo and Postma, 2005. Data from Christensen, 1984.
SURFACE_MASTER_SPECIES
Linear Linear
Freundlich Freundlich
Langmuir Langmuir
SURFACE_SPECIES
Linear = Linear
Linear + Cd+2 = LinearCd+2
-log_k -100.7 # log10(0.2) - 100
-mole_balance LinearCdCl2
Freundlich = Freundlich
Freundlich + 0.722 Cd+2 = FreundlichCd+2
-log_k -102.61 # log10(0.421) + (0.722 - 1) * log10(112.4e6) - 100
-no_check
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Langmuir = Langmuir
Langmuir + Cd+2 = LangmuirCd+2
-log_k 6.56 # log10(112.4 / 30.9e-6)
-mole_balance LangmuirCdCl2
SURFACE 1
Linear 1e100 1 1
Freundlich 1e100 1 1
Langmuir 8.45e-8 1 1 # 9.5 / 112.4e6
-no_edl
SOLUTION 1
pH 6
Ca 1
Cl 2
REACTION 1
CdCl2 1
0.7e-6 in 20
USER_GRAPH Example 19
-headings Linear Freundlich Langmuir
-chart_title "Sorption Isotherms"
-axis_titles "Dissolved Cd, in micrograms per kilogram water" \
"Sorbed Cd, in micrograms per gram soil"
-plot_tsv_file ex19_meas.tsv
-axis_scale x_axis 0 40
-axis_scale y_axis 0 6
-initial_solutions true
-start
10 x = act("Cd+2") * 112.4e6
20 PLOT_XY x, mol("LinearCd+2")*112e6, color = Green, symbol = None, line_width = 2
30 PLOT_XY x, mol("FreundlichCd+2")*112e6, color = Blue, symbol = None, line_width = 2
40 PLOT_XY x, mol("LangmuirCd+2")*112e6, color = Orange, symbol = None, line_width = 2
-end
PRINT
-reset false
END

17
all/c/ex19_meas.tsv Normal file
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c/(ug/L) Measured
3.1 0.86
6.1 1.12
5.9 1.71
7.1 1.68
8.1 2.03
9.9 2.46
12.3 2.85
13 3.36
13.6 3.22
16 3.25
19.1 3.56
24.1 3.76
25.8 4.17
27.6 4.58
33.2 4.82
36.4 5.19
1 c/(ug/L) Measured
2 3.1 0.86
3 6.1 1.12
4 5.9 1.71
5 7.1 1.68
6 8.1 2.03
7 9.9 2.46
8 12.3 2.85
9 13 3.36
10 13.6 3.22
11 16 3.25
12 19.1 3.56
13 24.1 3.76
14 25.8 4.17
15 27.6 4.58
16 33.2 4.82
17 36.4 5.19

16
all/c/ic Normal file
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# File ic
SOLUTION 1-2
END
EQUILIBRIUM_PHASES 1
CO2(g) -1.5 10
EQUILIBRIUM_PHASES 2
Calcite 0 10
SELECTED_OUTPUT
-reset false
USER_PUNCH
-Heading charge H O C Ca pH SR(calcite)
10 PUNCH charge_balance
20 PUNCH TOTMOLE("H"), TOTMOLE("O"), TOTMOLE("C"), TOTMOLE("Ca")
30 PUNCH -LA("H+"), SR("calcite")
END

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TITLE Example 19.--Linear, Freundlich and Langmuir isotherms for
Cd sorption on loamy sand. Calculates Example 7.1
from Appelo and Postma, 2005. Data from Christensen, 1984.
SURFACE_MASTER_SPECIES
Linear Linear
Freundlich Freundlich
Langmuir Langmuir
SURFACE_SPECIES
Linear = Linear
Linear + Cd+2 = LinearCd+2
-log_k -100.7 # log10(0.2) - 100
-mole_balance LinearCdCl2
Freundlich = Freundlich
Freundlich + 0.722 Cd+2 = FreundlichCd+2
-log_k -102.61 # log10(0.421) + (0.722 - 1) * log10(112.4e6) - 100
-no_check
-mole_balance FreundlichCdCl2
Langmuir = Langmuir
Langmuir + Cd+2 = LangmuirCd+2
-log_k 6.56 # log10(112.4 / 30.9e-6)
-mole_balance LangmuirCdCl2
SURFACE 1
Linear 1e100 1 1
Freundlich 1e100 1 1
Langmuir 8.45e-8 1 1 # 9.5 / 112.4e6
-no_edl
SOLUTION 1
pH 6
Ca 1
Cl 2
REACTION 1
CdCl2 1
0.7e-6 in 20
USER_GRAPH Example 19
-headings Linear Freundlich Langmuir
-chart_title "Sorption Isotherms"
-axis_titles "Dissolved Cd, in micrograms per kilogram water" \
"Sorbed Cd, in micrograms per gram soil"
-plot_tsv_file ex19_meas.tsv
-axis_scale x_axis 0 40
-axis_scale y_axis 0 6
-initial_solutions true
-start
10 x = act("Cd+2") * 112.4e6
20 PLOT_XY x, mol("LinearCd+2")*112e6, color = Green, symbol = None, line_width = 2
30 PLOT_XY x, mol("FreundlichCd+2")*112e6, color = Blue, symbol = None, line_width = 2
40 PLOT_XY x, mol("LangmuirCd+2")*112e6, color = Orange, symbol = None, line_width = 2
-end
PRINT
-reset false
END

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c/(ug/L) Measured
3.1 0.86
6.1 1.12
5.9 1.71
7.1 1.68
8.1 2.03
9.9 2.46
12.3 2.85
13 3.36
13.6 3.22
16 3.25
19.1 3.56
24.1 3.76
25.8 4.17
27.6 4.58
33.2 4.82
36.4 5.19
1 c/(ug/L) Measured
2 3.1 0.86
3 6.1 1.12
4 5.9 1.71
5 7.1 1.68
6 8.1 2.03
7 9.9 2.46
8 12.3 2.85
9 13 3.36
10 13.6 3.22
11 16 3.25
12 19.1 3.56
13 24.1 3.76
14 25.8 4.17
15 27.6 4.58
16 33.2 4.82
17 36.4 5.19

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# File ic
SOLUTION 1-2
END
EQUILIBRIUM_PHASES 1
CO2(g) -1.5 10
EQUILIBRIUM_PHASES 2
Calcite 0 10
SELECTED_OUTPUT
-reset false
USER_PUNCH
-Heading charge H O C Ca pH SR(calcite)
10 PUNCH charge_balance
20 PUNCH TOTMOLE("H"), TOTMOLE("O"), TOTMOLE("C"), TOTMOLE("Ca")
30 PUNCH -LA("H+"), SR("calcite")
END

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