Dear David,
I read your comments with great pleasure, they were very helpful. My
primarly aim ist to obtain a consistent input-set, I'll then modify an
adapt to several reals cases.
The next question, pheraps the last, is also a syntatic question. Is it
possible to get only suitable cells-outpout at the end of the simulation?
In my case:
cells 1-2 - solution 1-2
cells 3-4 - solution 3-4
cells 5-10 - solution 5-10.
Until now, I use to transport the out-pout into Excel and select it (cell
1,2,3...) manually.
Hier again my last version of the job:
TITLE Rollfront
SOLUTION 0-10 Rainwater
units mmol/kgw
temp 25.0
pH 7.0 charge
pe 4.0
EQUILIBRIUM_PHASES 0
CO2(g) -3 10
O2(g) -0.7 10
Save Solution 0
END
USE solution 0
EQUILIBRIUM_PHASES 1-2
Schoepite 0.0 0.1
Calcite 0.0 0.1
Goethite 0.0 0.1
SAVE solution 1-2
END
USE solution 0
EQUILIBRIUM_PHASES 3-4
Schoepite 0.0 0.1
Calcite 0.0 0.1
Pyrite 0.0 0.1
Goethite 0.0 0.1
SAVE solution 3-4
END
KINETICS 5-10
Organic_C
-formula CH2O
-tol 1e-8
-m0 1 # mol/kgw
-m 1
RATES
Organic_C
-start
10 if (m <= 0) then goto 200
20 mO2 = mol("O2")
30 mNO3 = tot("N(5)")
40 mSO4 = tot("S(6)")
50 rate = 1.57e-7*mO2/(2.94e-4 + mO2)
60 rate = rate + 1.e-10*mSO4/(1.e-4 + mSO4)
70 moles = rate * m * (m/m0) * time
80 if (moles > m) then moles = m
200 save moles
-end
END
KNOBS
-pe 2
-step 2
-iterations 200
SOLUTION_SPECIES
H2O + .01e- = H2O-0.01
log_k -9
TRANSPORT
-cells 10
-shifts 100
-time_step 86400
-length 1
-dispersivities 2.0
-punch_cells 1 2 3 4 5 6 7 8 9 10
-punch_frequency 1
# -stagnant 1 1.056e-10 0.05 0.15
PRINT
-reset false
SELECTED_OUTPUT
-file Rollfront.csv
-reset true
-time false
-totals U S Fe Ca
-pH true
-pe true
END
Thank you for any comment.
Sincerely,
Chicgoua
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