Thermodynamic Optimization of the Ca-Fe-O System

• Published in: Metallurgical and materials transactions. B, Process metallurgy and materials processing science Vol. 47; no. 1; pp. 256 - 281
• Main Authors: Hidayat, Taufiq, Shishin, Denis, Decterov, Sergei A., Jak, Evgueni
• Format: Journal Article
• Language: English
• Published: New York Springer US 01-02-2016; Springer Nature B.V
• Subjects: Assessments; Characterization and Evaluation of Materials; Chemistry and Materials Science; Formalism; Liquid-solid equilibrium; Materials Science; Mathematical models; Metallic Materials; Metallurgy; Nanotechnology; Optimization; Process metallurgy; Spinel; Structural Materials; Surfaces and Interfaces; Systems (metallurgical); Thermodynamics; Thin Films; Oxygen Partial Pressure; Gibbs Energy; FeAl2O4; Calcium Ferrite; Total Iron
• ISSN: 1073-5615; 1543-1916
• DOI: 10.1007/s11663-015-0501-0

The present study deals with the thermodynamic optimization of the Ca-Fe-O system. All available phase equilibrium and thermodynamic experimental data are critically assessed to obtain a self-consistent set of model parameters for the Gibbs energies of all stoichiometric and solution phases. Model predictions of the present study are compared with previous assessments. Wüstite and lime are described as one monoxide solution with a miscibility gap, using the random mixing Bragg-Williams model. The solubility of CaO in the “Fe
3
O
4
” magnetite (spinel) phase is described using the sublattice model based on the Compound Energy Formalism. The effect of CaO on the stability of the spinel phase is evaluated. The liquid CaO-FeO-Fe
2
O
3
slag is modeled using the Modified Quasichemical Formalism. Liquid metal phase is described as a separate solution by an associate model.