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Thank alot!



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



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