Thermodynamic optimization of the NaCl–PrCl3 system and the LiCl–NaCl–PrCl3 system

The NaCl–PrCl3 system and the LiCl–NaCl–PrCl3 system were critically optimized using the CALPHAD technique. The liquid phase was described by a two-sublattice model (Li+, Na+)p(Cl−, PrCl63−, PrCl3)q. The end-member-based compounds NaCl and LiCl with the same NaCl-type structure were treated as one phase and described by a two-sublattice model (Li, Na)Cl. The end-member PrCl3 was treated as stochiometric compound. On the basis of experimental phase diagram and thermodynamic data, the phase diagram and the mixing enthalpy of liquid at 1122 K in the NaCl–PrCl3 system and six vertical sections in the LiCl–NaCl–PrCl3 system were optimized using Thermo-Calc software, and a set of self-consistent thermodynamic parameters of the LiCl–NaCl–PrCl3 system was obtained.

► The NaCl–PrCl3 system was optimized using the CALPHAD technique. ► The LiCl–NaCl–PrCl3 system was optimized using the CALPHAD technique. ► A set of self-consistent thermodynamic parameters for two systems was obtained.