Thermodynamic assessment and database for the Cu-Fe-O-S system

Shishin, Denis, Jak, Evgueni and Decterov, Sergei A. (2015) Thermodynamic assessment and database for the Cu-Fe-O-S system. Calphad: Computer Coupling of Phase Diagrams and Thermochemistry, 50 144-160. doi:10.1016/j.calphad.2015.06.004

Author Shishin, Denis
Jak, Evgueni
Decterov, Sergei A.
Title Thermodynamic assessment and database for the Cu-Fe-O-S system
Journal name Calphad: Computer Coupling of Phase Diagrams and Thermochemistry   Check publisher's open access policy
ISSN 0364-5916
Publication date 2015-09
Sub-type Article (original research)
DOI 10.1016/j.calphad.2015.06.004
Open Access Status Not yet assessed
Volume 50
Start page 144
End page 160
Total pages 17
Place of publication Kidlington, Oxford United Kingdom
Publisher Pergamon Press
Collection year 2016
Language eng
Abstract The previously obtained thermodynamic databases for the Cu–Fe–S, Cu–Fe–O, Fe–O–S and Cu–O–S ternary systems have been combined and used to predict thermodynamic equilibria in the quaternary Cu–Fe–O–S system. The available experimental data were compared with model predictions. Minor modifications of model parameters were required to better describe the experimental points in the quaternary system; the effect of these changes was verified in the ternary subsystems. The procedure was developed to calculate the isothermal sections of the phase diagram of the quaternary system inside the tetrahedron. The liquid phase over the whole composition range from metallic liquid to sulfide melt to oxide melt has been described by a single model developed within the framework of the quasichemical formalism. The obtained self-consistent set of model parameters can be used as a basis for the development of a thermodynamic database for simulation of copper smelting and converting.
Keyword Copper smelting
Phase diagram
Thermodynamic modeling
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: Official 2016 Collection
School of Engineering Publications
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Citation counts: TR Web of Science Citation Count  Cited 1 times in Thomson Reuters Web of Science Article | Citations
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