CHRISTIAN ROBELIN, PATRICE CHARTRAND
A theoretical model for the density of multicomponent inorganic liquids based on the modified quasichemical model is proposed and applied to the NaF-AlF3-CaF2-Al2O3 electrolyte. The objective is to reproduce and predict the molar volume and the density of this liquid phase through the introduction of temperature-dependent molar volume expressions for the pure fluorides and oxides, in addition to pressure-dependent excess parameters for binary and higher-order interactions. A comprehensive collection and critical evaluation of all available density data for the NaF-AlF3-CaF2-Al2O3 liquid was executed. The methodology includes the optimization of pressure-dependent model parameters, which allows for improved accuracy in density predictions. The results indicate that the developed volumetric model can effectively be used with Gibbs energy minimization software to calculate molar volume and density for cryolite-based melts utilized in alumina electroreduction within Hall–Héroult cells. This contribution advances the understanding of thermodynamic properties in relevant metallurgical processes.
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title={A Density Model Based on the Modified Qu},
author={CHRISTIAN ROBELIN and PATRICE CHARTRAND},
year={2026},
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