CO2 Capture by Steel Slag Heap

[Erdinc]

Dear Users, I am trying to plot Co2 capture by bi-product of steel slag with minerals. I have in slag which consists of Portlandite, Periclase, Larnite, Brucite, and Calcite. do you know how to build a graph that shows Cumulative C (Tonne/hectare) Vs Days and Depth? Many thanks.

USER_PUNCH
    -headings kin_hco3 Pore_vol # Cum-C-heading
    -start
  7 rem IF(CELL_NO < 11) THEN GOTO 100
10 IF (TOTAL_TIME = 0) THEN PUT(0,1)
20 kin_ca=1*KIN_DELTA("Portlandite")+2*KIN_DELTA("Larnite")+0*KIN_DELTA("Brucite")+1*KIN_DELTA("Calcite_diss")
30 kin_mg=0*KIN_DELTA("Portlandite")+0*KIN_DELTA("Larnite")+1*KIN_DELTA("Brucite")+0*KIN_DELTA("Calcite_diss")
60 kin_hco3 = 2*(kin_ca+kin_mg)
#65 PUT(GET(1)-kin_hco3,1)
#67 cum_c = GET(1)
68 PUNCH kin_hco3
#70 PUNCH cum_c
75 REM punch pore volumes, no_cells = 10
77 no_cells = 10
80 PUNCH (STEP_NO + .5) / no_cells
100 REM END
    -end

[dlparkhurst]

I don't know about tonnes per hectare. This graph is moles captured in the system you have defined, usually moles per kilogram water.

Code: [Select]

USER_GRAPH 1
    -headings               time HCO3
    -axis_titles            "Time, seconds" "Moles CO2 captured" ""
    -initial_solutions      false
    -connect_simulations    true
    -plot_concentration_vs  x
  -start
  7 rem IF(CELL_NO < 11) THEN GOTO 100
 10 IF (TOTAL_TIME = 0) THEN PUT(0,1)
 20 kin_ca=1*KIN_DELTA("Portlandite")+2*KIN_DELTA("Larnite")+0*KIN_DELTA("Brucite")+1*KIN_DELTA("Calcite_diss")
 30 kin_mg=0*KIN_DELTA("Portlandite")+0*KIN_DELTA("Larnite")+1*KIN_DELTA("Brucite")+0*KIN_DELTA("Calcite_diss")
 60 kin_hco3 = 2*(kin_ca+kin_mg)
100 GRAPH_X TOTAL_TIME
110 GRAPH_Y kin_hco3
  -end
    -active                 true
END


[Erdinc]

Thanks Very much David,

I am also trying to plot the same moles CO2 captured Vs Depth. Some reason the below script does not come up as expected. Can you please check if the script has a problem? Many Thanks.

USER_GRAPH 5
    -headings               Depth HCO3
    -axis_titles            "Depth, cm" "Moles CO2 captured" ""
    -chart_title            "KARDEMIR SLAG FLOW THROUGH TESTS - MOLES CO2 CAPTURED"
    -initial_solutions      false
    -connect_simulations    true
    -plot_concentration_vs  x
  -start
  7 rem IF(CELL_NO < 11) THEN GOTO 100
 10 IF (TOTAL_DEPTH = 0) THEN PUT(0,1)
 20 kin_ca=1*KIN_DELTA("Portlandite")+2*KIN_DELTA("Larnite")+0*KIN_DELTA("Brucite")+1*KIN_DELTA("Calcite_diss")
 30 kin_mg=0*KIN_DELTA("Portlandite")+0*KIN_DELTA("Larnite")+1*KIN_DELTA("Brucite")+0*KIN_DELTA("Calcite_diss")
 60 kin_hco3 = 2*(kin_ca+kin_mg)
100 GRAPH_X TOTAL_DEPTH
110 GRAPH_Y kin_hco3
  -end
    -active                 true

[dlparkhurst]

There is no function TOTAL_DEPTH. If you are using TRANSPORT, there is a function DIST. You will either use DIST or calculate a depth based on the cell number.

[Erdinc]

Thanks David. Is there any particular reason why moles CO2 captured Vs Time and moles CO2 captured Vs Distance is negative in value and stops at 0 moles?  I tried to attach the (graphs) files here in in EMF and word but does not work.

[dlparkhurst]

KIN_DELTA is the change in the amount of each kinetic reactant. So, the function KIN("Portlandite") is the total amount of Portlandite available at any time; its initial value is set with -M in KINETICS (1 mole by default). If portlandite decreases, KIN("Portlandite") decreases and KIN_DELTA is negative. The reaction will stop when the moles of kinetic reactant go to zero.

[Erdinc]

thank you David.