Thermodynamic description of the MCl₂-ThCl₄ (M: Mg, Ca, Sr, Ba) systems

Abstract

The phase equilibria for the MCl₂-ThCl₄(M: Mg, Ca, Sr, Ba) binary systems were critically evaluated and optimized based upon the CALPHAD approach. The substitutional solution model(SSM) was used to describe the liquid phase. All the intermediate compounds were treated as stoichiometric compounds of which Gibbs energies comply with the Neumann-Kopp rule. Thermodynamic model parameters optimization for respective phases was conducted by the least squares minimization procedure with required input data available from experimental measurements. Satisfactory agreements between all calculated results and experimental data were achieved which demonstrates that thermodynamic databases for the MCl₂-ThCl₄(M: Mg, Ca, Sr, Ba) binary systems were ultimately derived in the present work allowing safe extrapolation into multi-component system for guiding relative industrial applications.

Keywords

Thermodynamics / Molten salt / Phase diagram

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