Ionic Conductivities of Molten Alkali Metal Chloride Binary Systems by Equilibrium Molecular Dynamics Simulation: Composition and Temperature Dependence

نویسندگان

چکیده

Conductivity of molten alkali metal chlorides is the foundation molten-salt electrolysis process. In study, equilibrium molecular dynamics was performed to investigate ionic conductivities chloride binary systems. The calculated values were in good agreement with experimental results. Simple databases for conductivity have been built based on verified algorithm. Mathematic expressions vs. temperature & composition also obtained according data. Ionic these melts exhibited positive dependences temperature. Adding a smaller cation into could improve conductive performance. With gradual addition LiCl, LiCl-NaCl, LiCl-KCl, LiCl-RbCl, and LiCl-CsCl all increased monotonously. NaCl-KCl, NaCl-RbCl, NaCl-CsCl continuous NaCl. improvement effects LiCl KCl, RbCl, CsCl are more significant than those

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ژورنال

عنوان ژورنال: Medžiagotyra

سال: 2021

ISSN: ['1392-1320', '2029-7289']

DOI: https://doi.org/10.5755/j02.ms.23486