Ab Initio Values of the Gas Transport Properties of Hydrogen Isotopologues and Helium–Hydrogen Mixtures at Low Density

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• 作者：Bo Song ; Kai Kang ; Zhuo Zhang ; Xiaopo Wang ; Zhigang Liu
• 刊名：Journal of Chemical & Engineering Data
• 出版年：2016
• 出版时间：May 12, 2016
• 年：2016
• 卷：61
• 期：5
• 页码：1910-1916
• 全文大小：359K
• 年卷期：0
• ISSN：1520-5134

文摘

We employed the classical kinetic theory to calculate transport properties as a function of temperature for hydrogen isotopologues and helium–hydrogen mixtures. The viscosity, thermal conductivity, diffusion coefficient, and thermal diffusion factor were computed at low density and over a wide temperature range from 298 to 2000 K. The calculation utilized the spherically symmetric versions of the latest ab initio potentials for the interactions of the like and unlike gas molecules. The computed values are generally consistent with the limited experimental data for HD, ⁴He–H₂, ⁴He–D₂, ⁴He–HD, ³He–H₂, ³He–D₂, H₂–HD, and D₂–HD. Our results provide reliable transport property data for the considered species at temperatures where experimental information is absent.