Thermodynamic analysis of binary liquid silicates and prediction of ternary solution properties by modified quasichemical equations |
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| Institution: | 1. Chemical Technology Division, Argonne National Laboratory, Argonne, IL 60439, U.S.A.;2. Centre de Recherche en Calcul Thermochimique, Ecole Polytechnique de Montréal, P.O. Box 6079, Station A, Québec, H3C 3A7, Canada;1. School of Materials Science and Engineering, University of Jinan, Jinan, Shandong, 250022, China;2. Bindura University of Science Education, Department of Chemistry, Private Bag 1020, Bindura, Zimbabwe;1. Department of Crystalline Materials Science, Nagoya University, Nagoya 464-8603, Japan;2. Institute of Materials and Systems for Sustainability, Nagoya University, Nagoya 464-8603, Japan;1. Institute for Nuclear Research, Hungarian Academy of Sciences (Atomki), 4026 Debrecen Bem tér 18/c, Hungary;2. ELI-ALPS, ELI-HU Non-profit Kft., Dugonics tér 13, H-6720 Szeged, Hungary;1. ICSM, UMR 5257 CEA/CNRS/UM2/ENSCM, Site de Marcoule – Bât. 426, BP 17171, 30207 Bagnols-sur-Cèze cedex, France;2. Department of Geological Sciences, Stanford University, Stanford, CA 94305, United States;3. Peter A. Rock Thermochemistry Laboratory and NEAT ORU, University of California at Davis, Davis, CA 95616, United States |
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| Abstract: | Modified quasichemical equations, developed for the analysis of the thermodynamic properties of structurally ordered liquid solutions, are shown to be well-suited for use with molten silicates. For binary systems, these equations have been coupled with a least-squares optimization computer program to analyse simultaneously all thermodynamic data including phase diagrams, Gibbs energies and enthalpies of formation of compounds, activities, enthalpies of mixing, entropies of fusion, miscibility gaps, etc. In this manner, data for several binary systems have been analysed and represented with a small number of parameters. In the present article, results for the SiO2-MgO, SiO2-Na2O and MgO-CaO systems are presented. The resulting equations represent all the binary data, including the phase diagrams, within or virtually within experimental error limits.From the modified quasichemical equations for ternary systems, ternary thermodynamic properties can be approximated solely from data from the subsidiary binary systems. Results for the SiO2-CaO-Na2O, SiO2-CaO-MgO, and SiO2-MgO-FeO systems are in excellent agreement with measured ternary data. Predictions for the quaternary system SiO2-MgO-CaO-Na2O are also presented. |
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