[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

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: https://wwwbrr.cr.usgs.gov/projects/GWC_coupled



Project Home Page
Complete Water Resources Division Software
USGS Home Page
Water Resources Division Home Page
NRP Home Page
Help Page
USGS Privacy Statement       

Please note that some U.S. Geological Survey (USGS) information accessed through this page may be preliminary in nature and presented prior to final review and approval by the Director of the USGS. This information is provided with the understanding that it is not guaranteed to be correct or complete and conclusions drawn from such information are the sole responsibility of the user.

Any use of trade, product, or firm names in this publication is for descriptive purposes only and does not imply endorsement by the U.S. Government. 


The URL of this page is: https://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc/mail/msg00162.html
Email:dlpark@usgs.gov
Last modified: $Date: 2005-09-13 21:04:21 -0600 (Tue, 13 Sep 2005) $
Visitor number [an error occurred while processing this directive] since Jan 22, 1998.