UCO3llnl.ppi
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SPECIATION
jobTitle "Uranium redox and speciation"
Database "llnl.dat"
calculationType "ht1"
calculationMethod 1
mainSpecies "U"
xmin 2.0
xmax 10.0
ymin -80.0
ymax 0.0
loopmin -6
loopmax -6
loopint 0
looplogvar 1
resolution 500
PLOT
plotTitle "Uranium hydrolysis and redox: llnl.dat"
xtitle "pH"
ytitle "log <i>f</i> O<sub>2</sub>(g)"
minimumAreaForLabeling 1.0
extraText "extratextUCO3.dat"
CHEMISTRY
include 'ht1.inc'
SOLUTION 1
temp 25
pH 1.8
units mol/kgw
U 1e-6
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
Ice 0 0
Uraninite 0 0
UO2.25 0 0
UO2.25(beta) 0 0
UO2.3333(beta) 0 0
UO2(am) 0 0
Schoepite 0 0
UO3:2H2O 0 0
UO2(OH)2(beta) 0 0
Schoepite-dehy(.9) 0 0
UO3:.9H2O(alpha) 0 0
Schoepite-dehy(.85) 0 0
Schoepite-dehy(1.0) 0 0
UO2ClOH:2H2O 0 0
Schoepite-dehy(.648) 0 0
UO2.6667 0 0
UO2Cl 0 0
Schoepite-dehy(.393) 0 0
UO3(gamma) 0 0
UO3(beta) 0 0
UO3(alpha) 0 0
UO2Cl2:3H2O 0 0
NaUO3 0 0
UOCl2 0 0
UO2Cl2:H2O 0 0
U5O12Cl 0 0
UO2Cl2 0 0
Na2U2O7 0 0
UOCl3 0 0
Na2UO4(alpha) 0 0
(UO2)2Cl3 0 0
UOCl 0 0
UCl4 0 0
UCl3 0 0
U2O2Cl5 0 0
Na 0 0
UCl5 0 0
Na3UO4 0 0
Na2O 0 0
UCl6 0 0
U 0 0
UH3(beta) 0 0
END
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