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Adding C to the thermodynamic description of the Cr-Fe-Ni-O system
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.ORCID iD: 0000-0001-5031-919X
2009 (English)In: Calphad, ISSN 0364-5916, E-ISSN 1873-2984, Vol. 33, no 2, 393-397 p.Article in journal (Refereed) Published
Abstract [en]

The Cr–Fe–Ni–O system has been studied in an earlier work with the intention to thermodynamically describe the influence of oxygen in highly alloyed steels. The aim of this study was to also include carbon in this description, with an emphasis on the modelling of the liquid phase. The liquid phase is assessed using the ionic two-sublattice model and good agreement between calculated and experimental data is achieved in the C–Fe–O system. In the C–Ni–O system the calculated solubility of oxygen in the liquid phase is about two orders of magnitude lower than the experimental data. Due to the very low oxygen solubility in liquid C–Ni, no ternary parameter could have any effect on the calculated solubility. By comparing with other oxide bearing ternary systems, it is suggested that the thermodynamic calculations probably give more reliable results than the experimental measurements when the oxygen solubility is very low. For the C–Cr–O system, no experimental information is available. The interaction parameters in the liquid phase were therefore set to zero.

Place, publisher, year, edition, pages
Elsevier , 2009. Vol. 33, no 2, 393-397 p.
Keyword [en]
Thermodynamic modelling, CALPHAD, C–Cr–Fe–Ni–O system
National Category
Materials Engineering
Identifiers
URN: urn:nbn:se:kth:diva-11096DOI: 10.1016/j.calphad.2008.12.002ISI: 000266897700014Scopus ID: 2-s2.0-67349128603OAI: oai:DiVA.org:kth-11096DiVA: diva2:235660
Note
QC 20100723Available from: 2009-09-17 Created: 2009-09-17 Last updated: 2010-12-06Bibliographically approved
In thesis
1. Thermodynamic description of the Fe-C-Cr-Mn-Ni-O system
Open this publication in new window or tab >>Thermodynamic description of the Fe-C-Cr-Mn-Ni-O system
2009 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

The Fe-C-Cr-Mn-Ni-O system is of fundamental importance when describing the influence of oxygen on high alloyed steels. Both solid and liquid phases are of great interest: The solid phases regarding oxidation processes like the formation of oxide layers, inner oxidation, sintering processes and high temperature corrosion. The liquid phase is of interest concerning the interaction between steel and its slag in a metallurgical context. In this thesis the thermodynamic properties of this system is described using the Calphad technique. The main idea of the Calphad technique is to describe the Gibbs energy of all phases in the system as a function of temperature, pressure and composition using appropriate thermodynamic models. When thermodynamic descriptions of all phases taking part in the system are modelled and described in a database, the equilibrium state could be calculated with a software that minimizes the total Gibbs energy.

Models within the compound energy formalism are used for all solution phases, among them the ionic two-sublattice liquid model, to describe both the metallic and oxide melts. All simple spinels (Cr3O4, FeCr2O4, Fe3O4, FeMn2O4, Mn3O4, MnCr2O4, NiCr2O4, NiFe2O4, NiMn2O4) within this system are described using a four-sublattice model. In this thesis several binary and ternary systems have been assessed or partly reassessed. The Fe-C-Cr-Mn-Ni-O database achieved can be used with an appropriate thermodynamic software to calculate thermodynamic properties, equilibrium states and phase diagrams. In general, the agreement between calculated and experimental values is good.

Place, publisher, year, edition, pages
Stockholm: KTH, 2009. 34 p.
Keyword
thermodynamic modelling, thermodynamic assessment, Calphad, phase diagram, spinel, compound energy formalism, ionic two-sublattice liquid model
National Category
Materials Engineering
Identifiers
urn:nbn:se:kth:diva-11100 (URN)978-91-7415-428-3 (ISBN)
Public defence
2009-10-09, F2, Lindstedtsvägen 28, KTH, Stockholm, 10:00 (English)
Opponent
Supervisors
Note
QC 20100723Available from: 2009-09-22 Created: 2009-09-17 Last updated: 2010-07-23Bibliographically approved

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Selleby, Malin

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