Thermodynamic calculation of self-diffusion in sodium chloride

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• 作者：Baohua Zhang ; Chengbo Li ; Shuangming Shan
• 刊名：Physics and Chemistry of Minerals
• 出版年：2016
• 出版时间：May 2016
• 年：2016
• 卷：43
• 期：5
• 页码：371-376
• 全文大小：1,380 KB
• 刊物类别：Earth and Environmental Science
• 刊物主题：Earth sciences
  Mineralogy
  Crystallography
  Geochemistry
  Mineral Resources
  
• 出版者：Springer Berlin / Heidelberg
• ISSN：1432-2021
• 卷排序：43

文摘

Using the available pressure–volume–temperature equation of state of sodium chloride, we show that the self-diffusion coefficients of sodium and chloride in sodium chloride as a function of temperature and pressure can be successfully reproduced in terms of bulk elastic and expansivity data. We use a thermodynamic model that interconnects point-defect parameters with bulk properties. Our calculated diffusion coefficients and point-defect parameters, including activation enthalpy, activation entropy, and activation volume, well agree with reported experimental results when uncertainties are considered. Furthermore, the ionic conductivity of sodium chloride inferred from our predicted diffusivities of sodium through the Nernst–Einstein equation is compared with previous experimental data.KeywordsSelf-diffusionSodiumChlorideNaClcBΩ model