Critical thermodynamic evaluation and optimization of the MnO-SiO2-"TiO2"-"Ti2O3" system

Abstract

A complete review, critical evaluation, and thermodynamic optimization of phase equilibrium, and thermodynamic properties of the MnO-SiO2-"TiO2"-"Ti2O3" systems at 1 bar pressure are presented. The molten oxide phase was described by the Modified Quasichemical Model. The Gibbs energies of the manganosite, spinel, pyrophanite and pseudobrookite and rutile solid solutions were taken from the previous study. A set of optimized model parameters for the molten oxide phase was obtained which reproduces all available reliable thermodynamic and phase equilibrium data within experimental error limits from 25 degrees C to above the liquidus temperatures over the entire range of compositions and oxygen partial pressure in the range of pO(2) from 10(-20) bar to 10(-7) bar. Complex phase relationships in these systems have been elucidated, and discrepancies among the data have been resolved. The database of model parameters can be used along with software for Gibbs energy minimization in order to calculate any phase diagram section or thermodynamic properties. (C) 2006 Elsevier Ltd. All rights reserved.