PhreeqcUsers Discussion Forum
Conceptual Models => Design of conceptual models => Topic started by: AnnaJulIQ on April 07, 2021, 07:32:43 PM
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Good morning, I have downloaded phreeplot, for the development of the Manganese speciation graph I have taken the example of Cd speciation. When I run the program I get the error attached in the Imangen, and with phreeplot nothing is plotted. I attach the file and the deed. I don't know what my mistake could be.
SPECIATION
database C:\users\Juliana Marin\Desktop\MINTEQ.DAT
calculationType species # Mn speciation as a function of pH - log c vs pH
calculationMethod 1
# calculate diagrams for this element
mainSpecies Mn
xmin -13.0 # range of logH
xmax -6.0
resolution 100
PLOT
plotTitle "log species concn vs pH(using logspeciesvsph.inc)"
ytitle "Log concentration (mol/kgw)"
labelSize 1.7 # controls the size of the key text
pxmax 13 # sets upper limit on x-axis
customXcolumn 2 # x-column is second column
legendTextSize 1.3 # reduce the size of the legend (key) text
extraText "extratextlogCdspeciation.dat" # places the legend inside the plot
CHEMISTRY
include 'logspeciesvsph.inc' # contains the logic for outputting the expected x-axis, y-axis (log c) pairs expected by 'species' plot type
SOLUTION_SPECIES
K+ + H2O = KOH + H+
log_k -14.46
PHASES 1
Fix_H+
H+ = H+
log_k 0.0
KOH(s)
KOH = K+ + OH-
log_k 2.18
end
SOLUTION 1
pH 4.5 # pH just for initial solution concentration
WATER 9.27 #9.27 Kg of water in 10 kg of whey
end
USE solution 1
EQUILIBRIUM_PHASES 1
Fix_H+ <x_axis> NaOH 10
-force_equality true
Pyrolusite 0 4.79 #MnO2 "Mol"
Manganite 0 10.68 #MnOOH "Mol"
KOH(s) 0 4.48 #KOH "Mol"
END
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You cannot generate the lower pH values by adding NaOH. Example 8 gives a way to add either acid or base as necessary to generate the desired pH values.
You can use the following:
PHASES
NaCl
NaCl = Na+ + Cl-
log_k -20
end
EQUILIBRIUM_PHASES 1
Fix_H+ <x_axis> NaOH 10
-force_equality true
NaCl 0 10
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Your file does not produce that error for me. Perhaps I have an older version of PhreePlot. Make sure you are using the same file you posted, and then I would check with David Kinniburgh.
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Again, your ppi file runs with PhreePlot on my computer and makes the attached ps file. As described for the installation of PhreePlot, you need to install additional software to display postscript files.
The phr file is identical to the ppi file, and will not run with Phreeqc alone because of the extra input for PhreePlot.
If the ppi file does not run on your computer with PhreePlot, I would contact david@phreeplot.org
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PhreePlot does not create a ppi.out file. It looks like you are trying to run an input file for PhreePlot in PHREEQC. Although some input is similar, input files for PhreePlot are different than input files for PHREEQC. Run .ppi files with PhreePlot; .pqi or .phr files with PHREEQC.
If this is not the problem. Please explain which files you used and which programs you ran to obtain the error that you have.
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They are not constant on the figure. Manganite is greater than pyrolusite at high pH and only pyrolusite is present at lower pH.
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Have you looked in the manual? David spent a lot of time writing it.