P. Chartrand et Ad. Pelton, Thermodynamic evaluation and optimization of the LiF-NaF-KF-MgF2-CaF2 system using the modified quasi-chemical model, MET MAT T A, 32(6), 2001, pp. 1385-1396
A complete critical evaluation of all available phase diagram and thermodyn
amic data has been performed for all condensed phases of the LiF-NaF-KF-MgF
2-CaF2 system and optimized model parameters have been found. The model par
ameters obtained for binary and ternary subsystems can be used to predict t
hermodynamic 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 catio
nic sublattice, with Mg-alkali and Ca-alkali second-nearest-neighbor (SNN)
pairs being favored.