As3-P-Cafig8right.ppi
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# Stachowicz et al. (2008), Fig 8 (right) As(III)-P-Ca interactions
# Journal of Colloid and Interface Science 320 (2008) 400–414.
SPECIATION
calculationType custom
calculationMethod 1
xmin 3.0
xmax 12.0
resolution 91
loopfile loopfileAs3-P-Cafig8.dat
numericTags <mass> = 5
PLOT
plotTitle "CD-MUSIC: As(III)-P-Ca interactions<br>(after Stachowicz et al., 2008, Fig. 8 (right))"
xtitle pH
ytitle "P in solution, log (mol/L)"
xaxislength 110
customxcolumn pH
pxmin 3
lines P
changeColor T
labelsize 1.8
extratext extratextAs3-P-Caright.dat
CHEMISTRY
SELECTED_OUTPUT
-reset false
SOLUTION 1
Temp 25
pH 3
units mol/kgw
As <AsT> mmol/kgw # total As from the loopfile
P <PT> mmol/kgw # total P
Ca <CaT> mmol/kgw # total Ca
Na 1e-1 # background electrolyte
[N5] 1e-1 # [N5] is not N(5) to avoid redox control
#include 'ecosat.dat' # aqueous species database
include 'cdmusic_hiemstra.dat' # adsorbed species database
USER_PUNCH
-headings pH P # these column names are used in customxcolumn and lines above
10 PUNCH -la("H+"), log10(tot("P"))
PHASES ; Fix_H+; H+ = H+ ; log_k 0
SURFACE 1
Goe_uniOHH0.5 3.45 98 <mass> # sites/nm2 m2/g g
-cap 0.85 0.75 # 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) -70
END
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