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Thermodynamic modelling of the Cr–Fe–Ni–O system

Kjellqvist, Lina and Selleby, Malin and Sundman, Bo Thermodynamic modelling of the Cr–Fe–Ni–O system. (2008) Calphad, 32 (3). 577-592. ISSN 0364-5916

(Document in English)

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Official URL: http://dx.doi.org/10.1016/j.calphad.2008.04.005


There is a need to describe the influence of oxygen on high alloyed steels, both regarding oxidation processes – as in the formation of oxide layers – and regarding steel/slag processes in a metallurgical context. As a first step and in order to be able to perform calculations and simulations on these different processes, the thermodynamic properties need to be described, as done for the Cr–Fe–Ni–O system. Previous attempts to describe this system has resulted in an inconsistent description, more specifically concerning the spinel phase. The aim of the present study is to obtain a consistent thermodynamic database for the Cr–Fe–Ni–O system with an emphasis on the modelling of the spinel phase. The solid phases are described using the compound energy formalism and the metallic and ionized liquid is modelled using the ionic two-sublattice model. A complete list of all binary and higher order parameters is included.

Item Type:Article
Additional Information:Thanks to Elsevier editor. The definitive version is available at http://www.sciencedirect.com The original PDF of the article can be found at Calphad website : http://www.sciencedirect.com/science/journal/03645916
HAL Id:hal-03590797
Audience (journal):International peer-reviewed journal
Uncontrolled Keywords:
Institution:Université de Toulouse > Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE)
Université de Toulouse > Université Toulouse III - Paul Sabatier - UT3 (FRANCE)
French research institutions > Centre National de la Recherche Scientifique - CNRS (FRANCE)
Other partners > Royal Institute of Technology – KTH (SWEDEN)
Laboratory name:
Deposited On:24 Apr 2009 07:33

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