Thermodynamic calculation of self-diffusion in sodium chloride

	Thermodynamic calculation of self-diffusion in sodium chloride
	Baohua Zhang; Chengbo Li; Shuangming Shan
	2016
发表期刊	Physics and Chemistry of Minerals
卷号	43 期号:5 页码:371-376
摘要	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.
学科领域	地球深部物质与流体作用地球化学
收录类别	SCI
语种	英语
文献类型	期刊论文
条目标识符	http://ir.gyig.ac.cn/handle/352002/6500
专题	地球内部物质高温高压实验室_地球内部物质高温高压实验室_期刊论文
推荐引用方式 GB/T 7714	Baohua Zhang,Chengbo Li,Shuangming Shan. Thermodynamic calculation of self-diffusion in sodium chloride[J]. Physics and Chemistry of Minerals,2016,43(5):371-376.
APA	Baohua Zhang,Chengbo Li,&Shuangming Shan.(2016).Thermodynamic calculation of self-diffusion in sodium chloride.Physics and Chemistry of Minerals,43(5),371-376.
MLA	Baohua Zhang,et al."Thermodynamic calculation of self-diffusion in sodium chloride".Physics and Chemistry of Minerals 43.5(2016):371-376.

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