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!