Thermodynamic assessment of MCl–YCl3 (M=Na, K, Rb, Cs) systems

Abstract Thermodynamic properties and phase diagrams of the MCl–YCl 3 (M=Na, K, Rb, Cs) systems were reassessed by using the CALPHAD method with the latest phase diagram data. A two-sublattice ionic solution model (M + ) P (Cl − , YCL 6 3 − , YCl 3 ) Q reflecting the ionic behavior of the components was adopted to describe the liquid phase in the systems. A new set of optimized model parameters was found, and the calculated phase diagrams and enthalpies of mixing have good agreement with experimental data. The calculated liquidus near to YCl 3 side agrees much better with experimental data compared with previous work. In consideration of high and low temperature modifications as well as stability of intermediate compounds, Gibbs energies of formation of these compounds evaluated in the present work are more reasonable.