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Thermodynamic Database for the Al-Ca-Co-Cr-Fe-Mg-Mn-Ni-Si-O-P-S System and Applications in Ferrous Process Metallurgy

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Abstract

Computerized thermodynamic databases for solid and liquid metals, slag, and solid oxide phases in the Al2O3-CaO-CoO-CrO-Cr2O3-FeO-Fe2O3-MgO-MnO-NiO-SiO2 system (with dissolved S and P) have been developed by critical evaluation/optimization of various available phase equilibrium and thermodynamic data. The databases contain parameters of models specifically developed for molten slags, liquid steel, and solid oxide solutions such as spinel, pyroxenes, olivine, monoxide (wustite, periclase, lime), corundum, etc. By means of the optimization process, model parameters are found which reproduce various thermodynamic and phase equilibrium data within experimental error limits. Furthermore, the models permit extrapolation into regions of temperature and composition where data are not available. The databases are automatically accessed by user-friendly software that calculates complex equilibria involving slag, metals, refractories, and gases simultaneously, for systems with many components, over wide ranges of temperature, oxygen potential, and pressure. A short review of the available databases is presented. The critical evaluation/optimization procedure is outlined using the Al2O3-CaO-FeO-Fe2O3-MgO-SiO2 and Al2O3-CaO-MnO-SiO2 systems as examples. Several applications of the databases to deoxidation, dehydrogenation, and dephosphorization of iron and to inclusion control in steel are discussed.

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Acknowledgments

Financial assistance from the Natural Sciences and Engineering Research Council of Canada through a Discovery grant and through a CRD grant in collaboration with POSCO Steel, Rio Tinto, Dupont, INCO and Teck Cominco (305883-03) is gratefully acknowledged.

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  1. Dép. de Génie Chimique, Centre de Recherche en Calcul Thermochimique, École Polytechnique de Montréal, P.O. Box 6079, Station “Downtown”, Montreal, QC, H3C 3A7, Canada

    Sergei A. Decterov & Youn-Bae Kang

  2. Department of Mining and Materials Engineering, McGill University, Montreal, QC, H3A 2B2, Canada

    In-Ho Jung

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  1. Sergei A. Decterov
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  3. In-Ho Jung
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Correspondence to Sergei A. Decterov.

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This article is an invited paper selected from participants of the 14th National Conference and Multilateral Symposium on Phase Diagrams and Materials Design in honor of Prof. Zhanpeng Jin’s 70th birthday, held November 3-5, 2008, in Changsha, China. The conference was organized by the Phase Diagrams Committee of the Chinese Physical Society with Drs. Huashan Liu and Libin Liu as the key organizers. Publication in Journal of Phase Equilibria and Diffusion was organized by J.-C. Zhao, The Ohio State University; Yong Du, Central South University; and Qing Chen, Thermo-Calc Software AB.

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Decterov, S.A., Kang, YB. & Jung, IH. Thermodynamic Database for the Al-Ca-Co-Cr-Fe-Mg-Mn-Ni-Si-O-P-S System and Applications in Ferrous Process Metallurgy. J. Phase Equilib. Diffus. 30, 443–461 (2009). https://doi.org/10.1007/s11669-009-9569-z

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