Si-goethite3b.ppi
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# from Hiemstra et al. (2007), J. Colloid Inteface Sci. 310, 8-17, Fig. 3(b)
SPECIATION
calculationType custom
calculationMethod 1
xmin 3.0
xmax 11.0
resolution 81
loopfile "loopSi.dat"
numericTags <Goe_triOH> = 9.2 \
<Goe_triONa> = -0.61 \
<Goe_triOHNO3> = 8.50 \
<Goe_uniOH2> = 9.2 \
<Goe_uniOHNa> = -0.61 \
<Goe_uniOH2NO3> = 8.50
PLOT
plotTitle "Si remaining in solution after adsorption by goethite"
xtitle pH
ytitle "log dissolved Si (M)"
pxmin 3
pxmax 11
pymajor 1
customxcolumn pH
lines logSi
extraText extratextSi.dat
linecolor red
points dissSi
pointColor red
rimColor gray
pointSize 4
labels 1 2 3 4 5
extradat fig3b.dat
changecolor t
labelSize 0
CHEMISTRY
SELECTED_OUTPUT
-reset false
SOLUTION 1
Temp 25
pH 2.9
units mol/kgw
Si <SiT> mmol/kgw
Na 1e-1 # background electrolyte
N(5) 1e-1
include 'ecosatSi.dat' # aqueous species database
include 'cdmusic_hiemstra.dat' # adsorbed species database
USER_PUNCH
-headings pH logSi
10 PUNCH -la("H+"), log10(TOT("Si"))
PHASES ; Fix_H+; H+ = H+ ; log_k 0
SURFACE 1
Goe_uniOHH0.5 3.45 100 <mass> # sites/nm2 m2/g g
-cap 0.92 0.92 # C1 C2 (in F/m2)
Goe_triOH0.5 2.7
-cd_music
-sites_units density
EQUILIBRIUM_PHASES 1
Fix_H+ -<x_axis> NaOH
-force_equality true
O2(g) -0.7
END
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