Thermodynamic assessment of the Bi-alkali metal (Li,Na, K,Rb) systems using the modified quasichemical model for the liquid phase |
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| Affiliation: | 1. State Key Laboratory of Advanced Metallurgy, School of Metallurgical and Ecological Engineering, University of Science & Technology Beijing, Beijing 100083, China;2. Center for Research in Computational Thermochemistry, Department of Chemical Engineering, École polytechnique de Montréal, Montréal, Québec, Canada;1. HMC, Department of Nanotechnology and Advanced Materials Engineering, Sejong University, Seoul, 143-747, South Korea;2. Department of Materials Science and Engineering, Hongik University, Seoul, 121-791, South Korea;3. School of Materials Science and Engineering, Changwon National University, Changwon, 641-773, South Korea;1. Department of Applied Material Science and Materials Engineering, Lviv Polytechnic National University, Ustyyanovycha Str. 5, 79013, Lviv, Ukraine;2. Department of Inorganic Chemistry, Ivan Franko Lviv National University, Kyryl and Mephodiy Str. 6, 79005, Lviv, Ukraine;3. Institut Néel, CNRS, BP 166, 38042, Grenoble Cedex 9, France;1. Department of Polymer Engineering and Science, Montanuniversität, Otto-Glöckel Strasse 2, 8700 Leoben, Austria;2. Dipartimento di Chimica, Università degli Studi di Milano, Via Golgi 19, 20133 Milano, Italy |
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| Abstract: | Bi-alkali metal (Li, Na, K, Rb) binary systems have been systematically assessed based on the available phase diagrams and thermodynamic data. The modified quasichemical model, which takes short-range ordering into account, is used to describe the liquid phase. All intermetallic phases are treated as stoichiometric compounds. A set of self-consistent model parameters is obtained and the experimental data are reproduced well within experimental error limits. The enthalpy of mixing, entropy of mixing, and activity of element are calculated, showing the liquid phase exhibits maximum short-range ordering at 75 at% X (X=Li, Na, K, Rb). Some systematic variations and regularities are presented, indicating the enthalpy and entropy of mixing for the liquid phase at the maximum short-range ordering along with the enthalpy of formation and melting temperature of intermediate compound BiX3 change with the atomic radius of alkali metals regularly. |
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| Keywords: | Bi-alkali metals Modified quasichemical model Thermodynamic assessment Phase diagram |
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