A Density Model Based on the Modified Quasichemical Model and Applied to the NaF-AlF3-CaF2-Al2O3 Electrolyte

Abstract

A theoretical model for the density of multicomponent inorganic liquids based on the modified quasichemical model has been presented in a previous article. In the present article, this model is applied to the NaF-AlF3-CaF2-Al2O3 electrolyte. By introducing in the Gibbs energy of the liquid phase, temperature-dependent molar volume expressions for the pure fluorides and oxides, and pressure-dependent excess parameters for the binary (and sometimes higher-order) interactions, it is possible to reproduce, and eventually predict, the molar volume and the density of the multicomponent liquid phase using standard interpolation methods. All available density data for the NaF-AlF3-CaF2-Al2O3 liquid were collected and critically evaluated, and optimized pressure-dependent model parameters have been found. This new volumetric model can be used with Gibbs energy minimization software, to calculate the molar volume and the density of cryolite-based melts used for the electroreduction of alumina in Hall–Heroult cells.