U-Fhyfig1c.ppi
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SPECIATION
jobTitle "U(VI) adsorption by ferrihydrite with carbonate"
calculationType custom
calculationMethod 1
database 050000c0.tdb # NEA database from JAEA
xmin -10
xmax -2
resolution 81
loopfile loopUFhy1c.dat
numericTags <pO2> = "-0.7" \
<Ut> = 10^<x_axis> \
<mass> = 1 # g
PLOT
plotTitle "U(VI) adsorption by ferrihydrite in the presence of carbonate<br> \
Hiemstra et al. (2009), Fig. 1c"
customXcolumn logU
pxmin -10
lines logUsorb
xtitle "log U(VI)<sub>diss</sub> (mol/L)"
ytitle "U(VI) adsorbed (mol/kg)"
labelSize 0
extraText extratextfig1c.dat
CHEMISTRY
include 'cdmusic_hiemstra.dat'
PRINT
-reset false
PHASES
Fix_H+
H+ = H+
log_k 0.0
UO2(OH)2(s)
UO2(OH)2 + 2H+ = UO2+2 + 2H2O
log_k 5.3
SELECTED_OUTPUT
-high_precision true
-reset false
USER_PUNCH
-headings pH U logU logUsorb
10 PUNCH -la("H+"), TOT("U"), log10(TOT("U")), log10(SURF("U","Fhy")/(<mass>*1e-3))
SOLUTION 1
temp 25
pH 7
units mol/kgw
U <Ut>
N <NaNO3>
Na <NaNO3>
C <CO3t>
SURFACE 1
Fhy_unicOHH0.5 2.5 650 <mass> # sites/nm2 m2/g g
Fhy_unieOHH0.5 3.5
Fhy_triOH0.5 1.2
-cap 1.0 0.9 # C1 C2 (in F/m2)
-cd_music
-sites_units density
EQUILIBRIUM_PHASES
O2(g) <pO2>
Fix_H+ -7 NaOH
-force_equality true
UO2(OH)2(s) 0 0
END
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