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

Abstract

A complete review, critical evaluation, and thermodynamic optimization of the phase equilibrium and thermodynamic properties of the MnO-"TiO2"-"Ti2O3" systems at 1 bar pressure are presented. The molten oxide phase was described by the Modified Quasichemical Model. The Gibbs energy of spinel, pyrophanite and pseudobrookite solid solutions were modeled using the Compound Energy Formalism, and rutile solid solution was treated as a simple Henrian solution. Manganosite solid solution was assumed to dissolve both Ti4+ and Ti3+. A set of optimized model parameters for all phases 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 composition ranges and in the range of pO(2) from 10(-20) 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.