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Critical Evaluation and Thermodynamic Optimization of the Li2O-Al2O3 and Li2O-MgO-Al2O3 Systems

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Abstract

The thermodynamic and phase diagram data of the Li2O-Al2O3 and Li2O-MgO-Al2O3 systems were critically evaluated and optimized to obtain a set of consistent Gibbs energy functions for all phases in the systems. The LiAl5O8-MgAl2O4 spinel solid solution was modeled with the two-sublattice compound energy formalism by considering the cation distribution between the tetrahedral and octahedral sites and excess vacancy in octahedral sites. The liquid phase and monoxide solid solution were also described using the modified quasichemical model with pair approximation and the Bragg–Williams random mixing model, respectively. The thermodynamic models with optimized model parameters enable the reproduction of all reliable thermodynamic and phase diagram as well as spinel structural data in the system.

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Acknowledgments

Financial support from Tata Steel Europe, Posco, Hyundai Steel, Nucor Steel, RioTinto Iron and Titanium, Nippon Steel and Sumitomo Metals Corp., JFE Steel, Voestalpine Stahl, RHI, Schott AG, and the Natural Sciences and Engineering Research Council of Canada are gratefully acknowledged. One of the authors (B. Konar) would also like to thank the McGill Engineering Doctorate Award (MEDA) program of McGill University.

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  1. Department of Mining and Materials Engineering, McGill University, 3610 University Street, Montreal, QC, H3A 0C5, Canada

    Bikram Konar

  2. Department of Materials Science and Engineering, Research Institute of Advanced Materials (RIAM), Seoul National University, 1 Gwanak-ro, Gwanak-gu, Seoul, 08826, South Korea

    Marie-Aline Van Ende & In-Ho Jung

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  1. Bikram Konar
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  2. Marie-Aline Van Ende
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Correspondence to In-Ho Jung.

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Manuscript submitted July 31, 2017.

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Konar, B., Van Ende, MA. & Jung, IH. Critical Evaluation and Thermodynamic Optimization of the Li2O-Al2O3 and Li2O-MgO-Al2O3 Systems. Metall Mater Trans B 49, 2917–2944 (2018). https://doi.org/10.1007/s11663-018-1349-x

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