Code Problem - Flowing supercritical carbon dioxide into carbonate rocks.

Question

My name is Nicole and I am having trouble in a code of Phreeplot. The idea is to inject supercritical carbon dioxide with sea water into carbonate rocks, calcite and dolomite. The objective is to know the conditions (pressure and temperature of the injection) when the pores of the rock precipitate and when dissolve. And I intend to plot a graphic pH x pe. I have read the PhreePlot guide und followed the examples. But even though the program doesn't work. If you can see any mistake, please let me know.

SPECIATION
    jobTitle        "Calcita30"
    calculationType     ht1
    calculationMethod   1
    convertLabels       true
    mainspecies     ''
    xmin            0.0
    xmax            10.0

    ymin            -10.0
    ymax            10.0

    resolution      50  #alterar no futuro

PLOT
    plotTitle       "Calcita30"
    xtitle          pH
    # pyminor           0.05
    # pymajor           0.1
    # pxminor           0.05
    # pxmajor           0.1
    yscale          pe
    extratext                            "extratexttest.dat"           # adds some embellishments to the plot

CHEMISTRY

include 'ht1.inc'

SOLUTION 1  
        pH      8.22
        pe      8.451
        density 1.023
        temp    30.0
        Ca              412.3
        Mg              1291.8
        Na              10768.0
        K               399.1
        Si              4.28
        Cl              19353.0
        Alkalinity      141.682 as HCO3
        S(6)            2712.0

#SELECTED_OUTPUT
#   -reset false
#   -high_precision true

END

USE solution 1
    EQUILIBRIUM_PHASES 1  
    Fix_H+ -<x_axis> NaOH 10
    -force_equality true
    Calcite 0.0  10.0
    CO2(g)  0.0 1.0

END

Thanks!

Answer 1

I do recommend re-checking the guide again to see where the mistake could be. These applications requires extensive knowledge and I hardly believe there is someone around here with such knowledge for this particular, but I am trying to help you in any way I can't.

Typically, the best way is to get in touch with the developer. If you can send him an email, use it using the following address: david@phreeplot.org

He should provide additional information about the software and the way it works.

Answer 2

Thank you very much for the answer! Certainly, it helped.