As3-shvrfig4.ppi
|
|
|
SPECIATION
calculationType custom
calculationMethod 1
xmin 3.0
xmax 12.0
resolution 100
loopFile "loopfig4.dat"
numericTags <mass> = <loop1> \
<AsT> = <loop2>
PLOT
plotTitle "CD-MUSIC: As(III) remaining in solution<br>(after Stachowicz et al., 2006, Fig. 4)"
xtitle pH
ytitle "As(III) in solution, log (mol/L)"
pxmin 3
pxmajor 3
pymin -7
pymax -3
customxcolumn pH
lines As3
changeColor T
labelsize 1.5
extratext "extratextfig4.dat"
CHEMISTRY
include 'cdmusic_hiemstra.dat'
SELECTED_OUTPUT
-reset false
SOLUTION 1
Temp 25
pH 2.9
units mol/kgw
As(3) <AsT> mmol/kgw # total As
Na 1e-1 # background electrolyte
[N5] 1e-1 # N(5) is not thermodynamically stable with As(3)
USER_PUNCH
-headings pH As3
10 PUNCH -la("H+"), log10(tot("As"))
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
O2(g) -70 # to ensure all As(3)
Fix_H+ -<x_axis> NaOH
-force_equality true
END
|
|