Thermodynamic modeling of the Co-Fe-O system

Weiwei Zhang, Ming Chen

Research output: Contribution to journalJournal articlepeer-review

Abstract

As a part of the research project aimed at developing a thermodynamic database of the La-Sr-Co-Fe-O system for applications in Solid Oxide Fuel Cells (SOFCs), the Co-Fe-O subsystem was thermodynamically re-modeled in the present work using the CALPHAD methodology. The solid phases were described using the Compound Energy Formalism (CEF) and the ionized liquid was modeled with the ionic two-sublattice model based on CEF. A set of self-consistent thermodynamic parameters was obtained eventually. Calculated phase diagrams and thermodynamic properties are presented and compared with experimental data. The modeling covers a temperature range from 298 K to 3000 K and oxygen partial pressure from 10-16 to 102 bar. A good agreement with the experimental data was shown. Improvements were made as compared to previous modeling results. © 2013 Elsevier Ltd.
Original languageEnglish
JournalC A L P H A D
Volume41
Pages (from-to)76-88
ISSN0364-5916
DOIs
Publication statusPublished - 2013

Keywords

  • Phase diagrams
  • Solid oxide fuel cells (SOFC)
  • Thermodynamics
  • Iron compounds

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