A density model based on the Modified Quasichemical Model and applied to the (NaCl + KCl + ZnCl2) liquid |
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| Institution: | 1. NANO-ElecTronic Centre, Faculty of Electrical Engineering, Universiti Teknologi MARA, 40450 Shah Alam, Selangor, Malaysia;2. NANO-SciTech Centre, Institute of Science, Universiti Teknologi MARA, 40450 Shah Alam, Selangor, Malaysia;3. Facuty of Electrical Engineering, UiTM Sarawak, Kampus Kota Samarahan, Jalan Meranek, Sarawak, Malaysia;1. Institute of Organic Chemistry and Biochemistry, v.v.i., Academy of Sciences of the Czech Republic, Flemingovo 2, 166 10 Prague 6, Czech Republic;2. Faculty of Science, Charles University in Prague, Albertov 6, 128 43 Prague 2, Czech Republic;1. Center for Theoretical Physics and Dept. of Physics, Massachusetts Institute of Technology, Cambridge, MA 02139, USA;2. Perimeter Institute for Theoretical Physics, Waterloo, ON N2L 2Y5, Canada;3. Dept. of Physics, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA;1. School of Engineering and Applied Sciences, United States;2. Francis Bitter Magnet Lab, Department of Chemistry, MIT, United States;3. Department of Chemistry, Aarhus University, Denmark;4. School of Engineering and Applied Sciences, Harvard University, Cambridge, MA 02138, United States |
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| Abstract: | A theoretical model for the density of multicomponent inorganic liquids based on the Modified Quasichemical Model has been presented previously. By introducing in the Gibbs free energy of the liquid phase temperature-dependent molar volume expressions for the pure components and pressure-dependent excess parameters for the binary (and sometimes higher-order) interactions, it is possible to reproduce, and eventually predict, the molar volume and the density of the multicomponent liquid phase using standard interpolation methods. In the present article, this density model is applied to the (NaCl + KCl + ZnCl2) ternary liquid and a Kohler–Toop-like asymmetric interpolation method is used. All available density data for the (NaCl + KCl + ZnCl2) liquid were collected and critically evaluated, and optimized pressure-dependent model parameters have been found. This new volumetric model can be used with Gibbs free energy minimization software, to calculate the molar volume and the density of (NaCl + KCl + ZnCl2) ternary melts. |
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