Critical assessment and thermodynamic modeling of the Cu-Fe-O system

Shishin, Denis, Hidayat, Taufiq, Jak, Evgueni and Decterov, Sergei A. (2013) Critical assessment and thermodynamic modeling of the Cu-Fe-O system. CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 41 160-179. doi:10.1016/j.calphad.2013.04.001


Author Shishin, Denis
Hidayat, Taufiq
Jak, Evgueni
Decterov, Sergei A.
Title Critical assessment and thermodynamic modeling of the Cu-Fe-O system
Journal name CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry   Check publisher's open access policy
ISSN 0364-5916
1873-2984
Publication date 2013-06-01
Year available 2013
Sub-type Article (original research)
DOI 10.1016/j.calphad.2013.04.001
Open Access Status Not Open Access
Volume 41
Start page 160
End page 179
Total pages 20
Place of publication Oxford, United Kingdom
Publisher Pergamon
Language eng
Formatted abstract
Critical evaluation, thermodynamic modeling and optimization of the Cu–Fe–O system are presented. The model for the liquid phase is developed within the framework of the Quasichemical Formalism. It describes liquid over the whole composition range from metal alloy to oxide melt. The model for spinel is developed within the framework of the Compound Energy Formalism. The spinel solution expands from magnetite, Fe3O4, to cupric ferrite, CuFe2O4. A small solubility of copper in wüstite is described by a simple Bragg–Williams model. Parameters of thermodynamic models have been optimized to reproduce all available thermodynamic and phase equilibrium data within experimental error limits. The thermodynamic optimization of the Cu–Fe–O system performed in the present study lays the groundwork for modeling the solubility of oxygen in sulfide liquid (matte) and in liquid metal alloys, which is of particular importance for simulation of copper smelting and converting.
Keyword Cu-Fe-O system
Thermodynamic properties
Phase diagram
Copper smelting
Cu alloys
Spinel
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: Official 2014 Collection
School of Engineering Publications
 
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