Pu.ppi
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SPECIATION
jobTitle "Plutonium redox and speciation"
Database llnl.dat
epsi T
calculationType ht1
calculationMethod 1
mainSpecies "Pu"
xmin 2.0
xmax 10.0
ymin -80.0
ymax 0.0
resolution 100
PLOT
plotTitle "Plutonium hydrolysis and redox<br>(using llnl.dat database)"
xtitle pH
ytitle "log <i>f</i> O<sub>2</sub>(g)"
labelSize 2.0
simplify 10
extraText "extratextPu.dat"
CHEMISTRY
include 'ht1.inc'
KNOBS
# -conv 1e-12 # Default is 1e-12 for high_precision but noisy boundaries - jump across
# -iterations 500 # Default is 100. Increase for some complex problems
# -pe_step_size 10 # For complex systems, eg with several surfaces decrease to 2. Default is 10
SOLUTION 1
temp 25
pH 1.8
units mol/kgw
Pu 1e-12
Na 1e-1
Cl 1e-1
S 1e-3
F 1e-3
END
USE solution 1
EQUILIBRIUM_PHASES 1
Fix_H+ -<x_axis> NaOH 10
-force_equality true
O2(g) <y_axis> 0.1
CO2(g) -3.5 1.0
PuO2 0 0
Pu(OH)4 0 0
Nahcolite 0 0
Natron 0 0
Na2CO3:7H2O 0 0
Thermonatrite 0 0
Pu(OH)3 0 0
PuO2OH(am) 0 0
Na2CO3 0 0
PuO2(OH)2 0 0
C 0 0
Pu2O3 0 0
Na 0 0
Na2O 0 0
Pu 0 0
END
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