UCO3_animate.ppi
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SPECIATION
jobTitle "Uranium redox and speciation"
calculationType "ht1"
calculationMethod 1
mainSpecies "U"
xmin 2.0
xmax 10.0
ymin -80.0
ymax 0.0
loopmin -16
loopmax -1
loopint 0.5
looplogvar 1
resolution 200
PLOT
plotTitle "Uranium hydrolysis and redox"
xtitle "pH"
ytitle "log <i>f</i> O<sub>2</sub>(g)"
extraText "extratextUCO3.dat"
CHEMISTRY
include 'ht1.inc'
KNOBS
-conv 1e-8 # Default is 1e-12 for high_precision but noisy boundaries - jump across
-iterations 100 # Default is 100. Increase for some complex problems
-pe_step_size 2 # For complex systems, eg with several surfaces decrease to 2. Default is 10
SOLUTION 1
temp 25
pH 1.8
units mol/kgw
U <loop>
Na 1e-1
Cl 1e-1
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
B-UO2(OH)2 0 0
Gummite 0 0
Na4UO2(CO3)3 0 0
Nahcolite 0 0
Natron 0 0
Rutherfordine 0 0
Schoepite 0 0
Thermonatrite 0 0
Trona 0 0
U3O8(c) 0 0
U4O9(c) 0 0
UO2(a) 0 0
UO3(gamma) 0 0
Uraninite(c) 0 0
END
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