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- W3202319920 abstract "This work reports the thermodynamic modelling assessment of the rather complex Cs-Mo-O system, which is key for the understanding of fission products chemistry in oxide fuelled Light Water Reactors (LWRs) and next generation Sodium-cooled and Lead-cooled Fast Reactors (SFRs and LFRs). The model accounts for the existence of the ternary molybdates Cs 2 MoO 4 ( α and β ), Cs 2 Mo 2 O 7 ( α and β ), Cs 2 Mo 3 O 10 , Cs 2 Mo 4 O 13 , Cs 2 Mo 5 O 16 , and Cs 2 Mo 7 O 22 , for which sufficient structural and thermodynamic information are available in the literature. These phases are treated as stoichiometric in the model. The liquid phase is described with an ionic two-sublattice model, and the gas phase as an ideal mixture. The optimized Gibbs energies are assessed with respect to the known thermodynamic and phase equilibrium data in the Cs 2 MoO 4 -MoO 3 pseudo-binary section. A good agreement is generally obtained within experimental uncertainties. The calculated vapour pressures above Cs 2 MoO 4 (solid and liquid) are also compared to the available experimental data. Finally, isotherms of the Cs-Mo-O ternary phase diagram are calculated at relevant temperatures for the assessment of the fuel pin behaviour in LWRs, SFRs and LFRs. • The Cs-Mo-O system is modelled using the CALPHAD method. • The formalisms used are compatible with those of the TAF-ID database. • The liquid phase is described with an ionic two-sublattice model. • Calculations are performed at key temperatures to assess nuclear fuel pin behaviour. • Remaining discrepancies or missing data on the Cs-Mo-O system are identified." @default.
- W3202319920 created "2021-10-11" @default.
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- W3202319920 date "2021-12-01" @default.
- W3202319920 modified "2023-10-17" @default.
- W3202319920 title "Thermodynamic modelling assessment of the ternary system Cs-Mo-O" @default.
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- W3202319920 doi "https://doi.org/10.1016/j.calphad.2021.102350" @default.
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