Thermodynamic and phase diagram modeling of CsF-MF₄(M=U, Th) systems

Abstract

Phase diagrams for the CsF-UF₄ and CsF-ThF₄ systems were modeled in the present work through computational thermodynamics. The associate solution model with various complex species(CsMF₅, Cs₂MF₆ and Cs₃MF₇; M=Th, U) was used to thermodynamically describe the binary molten salts. A total of ten intermediate phases were treated as stoichiometric compounds with their Gibbs energies modeled according to the Neumann-Kopp rule. All these model parameters were optimized by the least squares procedure until good coincidence was achieved between the calculated results and most of the experimental data. The derived thermodynamic parameters will be merged into the multicomponent CsF-LiF-BeF₂-ThF₄-UF₄ database for analyzing physicochemical behavior of CsF in the fuel salt of the molten salt breeder reactor.

Keywords

Molten salt / Metal fluoride / Thermodynamic and phase diagram modeling

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