Alspeciation.ppi
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SPECIATION
jobTitle "log speciation vs pH using 'species' plot type"
calculationType species # plots concn/% of all species containing the main species
calculationMethod 1
mainSpecies Al
xmin -12.0
xmax -2.0
resolution 100
PLOT
plotTitle "Al-H<sub>2</sub>O species vs pH<br>(using logspeciesvsph.inc)"
ytitle "log concentration (mol/kgw)"
CHEMISTRY
include 'logspeciesvsph.inc' # this controls exactly what is plotted (see the system directory for the file)
# must 'punch' x-axis, y-axis pairs
PHASES
Fix_H+
H+ = H+
log_k 0.0
SOLUTION 1
temp 10
pH 7 # pH for initial solution calculations only. Changed by <x_axis>
units mol/kgw
Na 0.1 charge # background electrolyte
Cl 0.1
Al 1e-3 # total concn of element
END
USE solution 1
EQUILIBRIUM_PHASES
O2(g) -0.677 0.1
Fix_H+ <x_axis> NaOH 10 # controls logH from xmin to xmax
-force_equality true
Al(OH)3(a) 0 0 # this is the only mineral considered. Add others as desired.
END
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