Molecular dynamics simulation of the transport properties of molten LiF–NaBr and LiF–KBr
- Authors: Kobelev M.A.1
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Affiliations:
- Institute of High-Temperature Electrochemistry, Ural Branch
- Issue: Vol 2016, No 8 (2016)
- Pages: 709-714
- Section: Article
- URL: https://journals.rcsi.science/0036-0295/article/view/170734
- DOI: https://doi.org/10.1134/S0036029516020063
- ID: 170734
Cite item
Abstract
A molecular dynamics simulation of molten LiF–NaBr and LiF–KBr mixtures at a temperature of 1280 K is performed over a wide concentration range to calculate the self-diffusion coefficients of the ions forming these mutual mixtures. It is found that the concentration dependence of the self-diffusion coefficient of the lithium cation in LiF–NaBr has an extremal character with a minimum, the position of which corresponds to the equimolar composition of the mixture.
About the authors
M. A. Kobelev
Institute of High-Temperature Electrochemistry, Ural Branch
Author for correspondence.
Email: coulomb76@mail.ru
Russian Federation, ul. Akademicheskaya 20, Yekaterinburg, 620219