Thermodynamic evaluation and optimization of the LiF-NaF-KF-MgF2-CaF2 system using the modified quasi-chemical model

A complete critical evaluation of all available phase diagram and thermodynamic data has been performed for all condensed phases of the LiF-NaF-KF-MgF2-CaF2 system and optimized model parameters have been found. The model parameters obtained for binary and ternary subsystems can be used to predict thermodynamic properties and phase equilibria for the multicomponent system. The modified quasi-chemical model for short-range ordering (SRO) was used for the molten salt phase. For solutions with NaF or KF together with MgCl2 or CaCl2, the calculations indicate a large degree of ordering on the cationic sublattice, with Mg-alkali and Ca-alkali second-nearest-neighbor (SNN) pairs being favored.

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