pcsorptionmetals2.ppi
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# plots % sorption vs pH curve for a variety of metals in the presence of Hfo and CO2(g) in 0.1M NaNO3
SPECIATION
calculationType "custom"
calculationMethod 1
xmin -10 # range of logH
xmax -3
loopMin -6 # each curve is for a different total metal concn (= z-loop value)
loopMax -1 # these loop variables controls the min, max and increment
loopInt 1.0
loopLogVar 1 # 1=use the exponentiated (10^loop) value of the loop variable: 0=don't
resolution 100 #
numericTags <pco2> = -3.5 # change this to change the log10(PCO2(g))
PLOT
plotTitle "%sorbed vs pH curves for Pb<br>six Pb<sub>T</sub> concs"
xtitle "pH"
ytitle "%sorbed"
lines Pb
labels -6 -5 -4 -3 -2 -1 # label names in order that curves are generated
lineColor red1 # starting colour .. density -> 1, 3, 5, 7, 9, 1
lineWidth 0.4
labelSize 2
legendTextSize 2 # size of text in the legend which is placed by default to the right
legendTitle "log c<sub>tot</sub> (mol/L)"
customXcolumn "pH" # ... change position of legend with <legend> in extratext file.
extratext extratextmetals2.dat
CHEMISTRY
include hfo.inc # standard Hfo block (consistent with Dzombak and Morel's HFO)
PHASES # set up as a single simulation which is repeated for each point
Fix_H+
H+ = H+
log_k 0.0
SOLUTION 1
-units mol/kgw
pH 3.0
Pb <loop>
Fe 1e-2
Na 0.1 # background electrolyte
N(5) 0.1 charge
SELECTED_OUTPUT
-high_precision TRUE
-reset FALSE
USER_PUNCH
-headings pH Pb
10 if (SYS("Pb")<=0) THEN 20
11 Pb = 100*SURF("Pb","Hfo")/SYS("Pb")
90 punch -la("H+"), Pb
EQUILIBRIUM_PHASES 1
Fix_H+ <x_axis> NaOH 10.0
-force_equality true
O2(g) -0.67
CO2(g) <pco2>
Fe(OH)3(a) 0 0
END
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