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Modelling high temperature oxidation in iron–chromium systems : combined kinetic and thermodynamic calculation of the long-term behaviour and experimental verification

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Auinger, Michael, Naraparaju, R., Christ, H. -J. and Rohwerder, Michael (2011) Modelling high temperature oxidation in iron–chromium systems : combined kinetic and thermodynamic calculation of the long-term behaviour and experimental verification. Oxidation of Metals, Volume 76 (Number 3-4). pp. 247-258. doi:10.1007/s11085-011-9252-8

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Official URL: http://dx.doi.org/10.1007/s11085-011-9252-8

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Abstract

The oxidation of two industrial steels with different chromium content (9 and 12 wt%), oxidised for up to 120 h at 750 °C in air has been investigated experimentally and by means of two-dimensional theoretical methods. The numerical model approach, which we call Applied Simulations of Thermodynamic Reactions and Interphase Diffusion (ASTRID), links the thermodynamic library ChemApp (GTT-Technologies, Germany) to the numerical programme COMSOL (COMSOL Inc., USA). This allows convenient implementations of complex geometries and to probe the oxidation behaviour in “real-life” microstructures under given conditions. Satisfying agreements with experimental findings for the total oxidation depth and local oxide composition have been obtained. Enhancements in the computing speed, as compared to the initial programme InCorr, enable a better resolution of the spatial phase distribution and allow the consideration of different diffusion coefficients corresponding to the newly formed (oxide) phases within the same calculation time.

Item Type: Journal Article
Divisions: Faculty of Science > WMG (Formerly the Warwick Manufacturing Group)
Journal or Publication Title: Oxidation of Metals
Publisher: Springer New York LLC
ISSN: 0030-770X
Official Date: October 2011
Dates:
DateEvent
October 2011Published
26 April 2011Available
Volume: Volume 76
Number: Number 3-4
Page Range: pp. 247-258
DOI: 10.1007/s11085-011-9252-8
Status: Peer Reviewed
Publication Status: Published
Access rights to Published version: Restricted or Subscription Access

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