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A Structural Molar Volume Model for Oxide Melts Part I: Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-Al2O3-SiO2 Melts—Binary Systems

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Abstract

A structural molar volume model was developed to accurately reproduce the molar volume of molten oxides. As the non-linearity of molar volume is related to the change in structure of molten oxides, the silicate tetrahedral Q-species, calculated from the modified quasichemical model with an optimized thermodynamic database, were used as basic structural units in the present model. Experimental molar volume data for unary and binary melts in the Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-Al2O3-SiO2 system were critically evaluated. The molar volumes of unary oxide components and binary Q-species, which are model parameters of the present structural model, were determined to accurately reproduce the experimental data across the entire binary composition in a wide range of temperatures. The non-linear behavior of molar volume and thermal expansivity of binary melt depending on SiO2 content are well reproduced by the present model.

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Acknowledgements

The financial support from Hyundai Steel, JFE Steel Corporation, Nippon Steel & Sumitomo Metal, Nucor Steel, Posco, RioTinto, RHI, RIST, Tata Steel Europe, Voestalpine, and the Natural Science and Engineering Research Council of Canada (NSERC) is gratefully acknowledged. One of the authors (E.T.) also acknowledges the scholarship from the Fonds de Recherche du Quebec - Nature et Technologies (FRQNT) supporting his master study.

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Authors and Affiliations

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

    Eric Thibodeau (Graduate Student) & In-Ho Jung (Associate Professor)

  2. Centre de Recherche en Calcul Thermochimique, Departement de Genie Chimique, Ecole Polytechnique de Montrea, Succ. Centre-ville, C.P. 6079, Montreal, QC, H3C3A7, Canada

    Aimen E. Gheribi (Research Associate)

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  1. Eric Thibodeau
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  2. Aimen E. Gheribi
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  3. In-Ho Jung
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Correspondence to In-Ho Jung.

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Manuscript Submitted November 27, 2014.

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Thibodeau, E., Gheribi, A.E. & Jung, IH. A Structural Molar Volume Model for Oxide Melts Part I: Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-Al2O3-SiO2 Melts—Binary Systems. Metall Mater Trans B 47, 1147–1164 (2016). https://doi.org/10.1007/s11663-015-0548-y

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