Critical thermodynamic evaluation and optimization of the Fe–Mg–O system

TitleCritical thermodynamic evaluation and optimization of the Fe–Mg–O system
Publication TypeJournal Article
Year of Publication2004
AuthorsJung, I-H, DECTEROV, SA, Pelton, DA
JournalJournal of Physics and Chemistry of Solids
Volume65
Pagination1683 - 1695
ISSN0022-3697
KeywordsD. Phase transitions
Abstract

A complete literature review, critical evaluation and thermodynamic modeling of the phase diagrams and thermodynamic properties at 1 bar total pressure of all oxide phases in the Fe–Mg–O system are presented. Optimized model equations for the thermodynamic properties of all phases are obtained which reproduce all available thermodynamic and phase equilibrium data within experimental error limits from 25 °C to above the liquidus temperatures at all compositions and oxygen partial pressures. The complex phase relationships in the system have been elucidated and discrepancies among the data have been resolved. The database of the model parameters can be used along with software for Gibbs energy minimization in order to calculate any type of phase diagram section. Sublattice models, based upon the compound energy formalism, were used for the spinel, pyroxene, olivine and monoxide phases. The use of physically reasonable models means that the models can be used to predict properties, phase equilibria, and cation site distributions in composition and temperature regions where data are not available.

URLhttp://www.sciencedirect.com/science/article/pii/S0022369704001301
DOI10.1016/j.jpcs.2004.04.005