Thermodynamic evaluation and optimization of the (MgCl2 + CaCl2 + MnCl2 + FeCl2 + CoCl2 + NiCl2) system |
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| Institution: | 1. Department of Materials and Metallurgy, PEC Chandigarh, Chandigarh, India;2. Department of Mechanical Engineering, Thapar Institute of Engineering and Technology, Patiala, Punjab, India;3. Nanotechnology and Material Characterization Lab, Bharat Forge Limited, Pune, Maharashtra, India;4. Department of Metallurgical and Materials Engineering, Indian Institute of Technology Roorkee, Roorkee, Uttrakhand, India;1. Department of Radiation Science and Technology, Faculty of Applied Sciences, Delft University of Technology, Delft 2629JB, The Netherlands;2. Nuclear Research and Consultancy Group (NRG), 1755LE Petten, The Netherlands;3. European Commission, Joint Research Centre, 76125 Karlsruhe, Germany;1. Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, PR China;2. Department of chemical and materials engineering, University of Alberta, Edmonton, AB, Canada T6G 2V4;3. University of Chinese Academy of Sciences, Beijing 100049, PR China;4. Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050, China;1. Center for Thorium Molten Salts Reactor System, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, PR China;2. University of Chinese Academy of Sciences, Beijing 100049, PR China;3. University of South China, Hengyang 421001, PR China |
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| Abstract: | A complete critical evaluation of all available phase diagram and thermodynamic data has been performed for all condensed phases of the (MgCl2 + CaCl2 + MnCl2 + FeCl2 + CoCl2 + NiCl2) system, and optimized model parameters have been found. The model parameters obtained for the binary subsystems can be used to predict thermodynamic properties and phase equilibria for the multicomponent system. The Modified Quasichemical Model was used for the molten salt phase, and the (MgCl2 + MnCl2 + FeCl2 + CoCl2 + NiCl2) solid solution was modeled using a cationic substitutional model with an ideal entropy and an excess Gibbs free energy expressed as a polynomial in the component mole fractions. This is the first of two articles on the optimization of the (NaCl + KCl + MgCl2 + CaCl2 + MnCl2 + FeCl2 + CoCl2 + NiCl2) system. |
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