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Another question (about USER_GRAPH)!



Dear David,

I still habe some difficulties with "USER_GRAPH".

Please have a look of the following job and kindly tell me, what I've done
wrong (I can't not obtain the expected Graf and the legend is not OK).

best regards,

Chicgoua




TITLE  Rollfront

SOLUTION 0 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

SOLUTION 12-21
SOLUTION 1-10

USE solution 0
EQUILIBRIUM_PHASES 1-2
	Calcite 	0.0	0.1
	Goethite	0.0	0.1
SAVE solution 1-2
END

USE solution 1
EQUILIBRIUM_PHASES 3
	Schoepite	0.0	0.1
	Calcite 	0.0	0.1
	Goethite	0.0	0.1
SAVE solution 3
END

USE solution 3
EQUILIBRIUM_PHASES 4
	U3O8(c)		0.0	0.1
	Calcite 		0.0	0.1
	Pyrite		0.0	0.1
SAVE solution 4
END

USE solution 4
EQUILIBRIUM_PHASES 5
	UO2(a)		0.0	0.1
	Calcite 		0.0	0.1
	Pyrite		0.0	0.1
SAVE solution 5
END

USE solution 5
EQUILIBRIUM_PHASES 6
	Uraninite(c)	0.0	0.1
	Calcite 		0.0	0.1
	Pyrite		0.0	0.1
SAVE solution 6
END

USE solution 6
KINETICS 7-10
      Organic_C
       	-formula  CH2O
		-tol	1e-8
		-m0	1	
		-m	1
	-steps 51840000 in 100 steps  	
		-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-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 
	  -flow_direction  	forward
        -length 			1	  
        -dispersivities   	2.0 
	   -punch_cells 		1-10
        -punch_frequency  	10
        -stagnant          1      1.056e-10  0.05          0.15
	  -print_cells 		1-10
	  -print_frequency	10

PRINT
        -reset 				false
SELECTED_OUTPUT
        -file   			Roll-front1.csv
        -reset  			true
        -time			true
	  -distance  		true
        -totals 			U
	   -pH				false
  	   -pe				true

USER_GRAPH
-headings x U pe
-chart_title Uranrollfront
-axis_titles "Distance[m]"  "Konzentration [Mol]" "pe-Wert"
-axis_scale y_axis 0.00000000001 0.1  
-axis_scale secondary_y_axis -6.0  12.0 
-initial_solutions false
-plot_concentration_vs x
10 GRAPH_X DIST
20 GRAPH_Y tot("U")
30 GRAPH_SY pe

END

TITLE  Rollfront

SOLUTION 0 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

SOLUTION 12-21
SOLUTION 1-10

USE solution 0
EQUILIBRIUM_PHASES 1-2
	Calcite 	0.0	0.1
	Goethite	0.0	0.1
SAVE solution 1-2
END

USE solution 1
EQUILIBRIUM_PHASES 3
	Schoepite	0.0	0.1
	Calcite 	0.0	0.1
	Goethite	0.0	0.1
SAVE solution 3
END

USE solution 3
EQUILIBRIUM_PHASES 4
	U3O8(c)		0.0	0.1
	Calcite 		0.0	0.1
	Pyrite		0.0	0.1
SAVE solution 4
END

USE solution 4
EQUILIBRIUM_PHASES 5
	UO2(a)		0.0	0.1
	Calcite 		0.0	0.1
	Pyrite		0.0	0.1
SAVE solution 5
END

USE solution 5
EQUILIBRIUM_PHASES 6
	Uraninite(c)	0.0	0.1
	Calcite 		0.0	0.1
	Pyrite		0.0	0.1
SAVE solution 6
END

USE solution 6
KINETICS 7-10
      Organic_C
       	-formula  CH2O
		-tol	1e-8
		-m0	1	
		-m	1
	-steps 51840000 in 100 steps  	
		-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-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 
	  -flow_direction  	forward
        -length 			1	  
        -dispersivities   	2.0 
	   -punch_cells 		1-10
        -punch_frequency  	10
        -stagnant          1      1.056e-10  0.05          0.15
	  -print_cells 		1-10
	  -print_frequency	10

PRINT
        -reset 				false
SELECTED_OUTPUT
        -file   			Roll-front1.csv
        -reset  			true
        -time			true
	  -distance  		true
        -totals 			U
	   -pH				false
  	   -pe				true

USER_GRAPH
-headings x U pe
-chart_title Uranrollfront
-axis_titles "Distance[m]"  "Konzentration [Mol]" "pe-Wert"
-axis_scale y_axis 0.00000000001 0.1  
-axis_scale secondary_y_axis -6.0  12.0 
-initial_solutions false
-plot_concentration_vs x
10 GRAPH_X DIST
20 GRAPH_Y tot("U")
30 GRAPH_SY pe

END






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Last modified: $Date: 2005-09-13 21:04:21 -0600 (Tue, 13 Sep 2005) $
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