Critical thermodynamic re-evaluation and re-optimization of the CaO–FeO–Fe2O3–SiO2 system

• Published in: Calphad Vol. 56; pp. 58 - 71
• Main Authors: Hidayat, Taufiq, Shishin, Denis, Decterov, Sergei A., Jak, Evgueni
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 01-03-2017
• ISSN: 0364-5916; 1873-2984
• DOI: 10.1016/j.calphad.2016.11.009

Comprehensive literature review, critical re-assessment and thermodynamic re-optimization of phase diagrams and thermodynamic properties of all phases have been carried out for the CaO–FeO–Fe2O3–SiO2 system. Thermodynamic assessments of this system were previously published, however some of them were incomplete or described only limited range of compositions. In addition, more recent important experimental data have been available after previous assessments. The Modified Quasichemical model is used to describe the Gibbs energy of the liquid slag. The monoxide, wollastonite, α-Ca2SiO4 and α’-Ca2SiO4 solid solutions are described using the random mixing Bragg-Williams model. Spinel, olivine, pyroxene and melilite solid solutions are modelled using sublattice model based on the Compound Energy Formalism. A set of optimized parameters for the thermodynamic models has been obtained which reproduces all available experimental data within the experimental uncertainties from sub-solidus to above the liquidus temperatures at all compositions and atmosphere conditions.