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Thermodynamic analysis of ordered liquid solutions by a modified quasichemical approach—Application to silicate slags

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Abstract

A system of semi-empirical equations has been developed for the analysis of the thermodynamic properties of ordered liquid solutions such as slags. The equations, which are based upon modifications of the quasichemical theory, take into account the concentration and temperature dependence of the solution properties of ordered systems and thus enhance the reliability of interpolations and extrapolations of data. For binary systems, these equations have been coupled with an optimization computer program to analyze simultaneously all available thermodynamic data including phase diagrams, Gibbs energies and enthalpies of formation of compounds, activities, enthalpies of mixing, entropies of fusion, miscibility gaps,etc. In this manner, data for several binary slag systems have been analyzed. In the present article, analyses for the CaO-SiO2, FeO-SiO2, and CaO-FeO systems are presented. The resulting equations represent all the binary data, including the phase diagrams, essentially within experimental error limits. The calculations have been extended to ternary systems, thereby permitting ternary thermodynamic properties to be approximated solely from data from the subsidiary binary systems. Results for the SiO2-CaO-FeO system are in excellent agreement with measured ternary data.

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Pelton, A.D., Blander, M. Thermodynamic analysis of ordered liquid solutions by a modified quasichemical approach—Application to silicate slags. Metall Trans B 17, 805–815 (1986). https://doi.org/10.1007/BF02657144

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