# Thank alot!

• To: "David L Parkhurst" <dlpark@xxxxxxxx>
• Subject: Thank alot!
• From: Chicgoua Noubactep <cnoubac@xxxxxxx>
• Date: Mon, 3 Mar 2003 16:54:32 +0100

```Dear Dr. Parkhurst,

Thank You very much for your help. I've considered it to formulate the
following input.

Please have a look on it an tell me wheter the syntax is correct or
acceptable.

Thank you very much,

Noubactep

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
Hematite	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
Uraninite(c)	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
-steps 51840000 in 100 steps  	# 600 Tage
-step_divide 1000000
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-9*mO2/(2.94e-4 + mO2) + 1.67e-11*mNO3/(1.55e-4 + mNO3)
50   rate = 1.57e-7*mO2/(2.94e-4 + mO2)
# 	60   rate = rate + 1.e-13*mSO4/(1.e-4 + mSO4)
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

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  			false
-time				true
-totals 			U S Fe Ca
-pH				false
-pe				true
END

>You can define each cell to contain different sets of equilibrium_phases
>and kinetic reactions. The last definition in the series will be used in
>the column. The following is a rough outline of the input file you need.
>
>SOLUTION 0-10 Rainwater
>END
>USE solution 0
>EQUILIBRIUM_PHASES 1-2
>      UO3   0     .1
>SAVE solution 1-2
>END
>USE solution 0
>EQUILIBRIUM_PHASES 3-4
>      UO3   0     .1
>      UO2   0     .1
>SAVE solution 3-4
>END
>KINETICS 5-10
>      Organic_decay
>      ...
>END
>TRANSPORT
>      ...
>END
>
>
>
>
>David Parkhurst (dlpark@xxxxxxxx)
>U.S. Geological Survey
>Box 25046, MS 413
>Denver Federal Center
>Denver, CO 80225
>
>Project web page: http://wwwbrr.cr.usgs.gov/projects/GWC_coupled

```

Complete Water Resources Division Software