A novel molecular interaction chemical model for silicate melts

doi:10.11890/1006-7191-105-381

Abstract

Abstract: A novel molecular interaction chemical model (MICM) for silicate melts has been suggested based on statistical thermodynamics. It can simultaneously predict activities of all components in the CaO-FeO-SiO₂ and CaO-Al₂O₃-SiO₂ melts using only four binary parameters for each binary melt which can be determined by fitting activities of its two components. The results indicate that the predicted values of activity of FeO and SiO₂ are in good agreement with the experimental data at 1823 K and 1873 K, and those of CaO, SiO₂ and Al₂O₃ are in reasonable agreement with the graphical integration data of the Gibbs-Duhem equation. This shows that the model is effective in which the physical interaction plays a main role and the chemical one does the auxiliary function.

Key words: Activity, Prediction, Oxide melts, Silicates, Thermodynamic model

Dongping TAO. A novel molecular interaction chemical model for silicate melts[J]. Acta Metallurgica Sinica (English Letters), 2010, 23(5): 381-395.

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