基于从头算势的稀有气体多组分混合物输运系数:粘度和导热性

F. Sharipov, V. J. Benites
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引用次数: 10

摘要

应用Chapman-Enskog方法,计算了低密度下由氦、氖、氩和氪组成的二元、三元和四元混合物的粘度和导热系数。为了计算积分,采用从头算原子间势。黏度和导热系数的相对数值误差不超过1。E-6和1。分别e-5。原子间势的相对不确定度约为0.1%。将本数据与文献中其他论文报告的结果进行比较,表明本文所考虑的输运系数的精度有了显著提高。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Transport coefficients of multi-component mixtures of noble gases based on ab initio potentials: Viscosity and thermal conductivity
The viscosity and thermal conductivity of binary, ternary and quaternary mixtures of helium, neon, argon, and krypton at low density are computed for wide ranges of temperature and molar fractions, applying the Chapman-Enskog method. Ab initio interatomic potentials are employed in order to calculate the omega-integrals. The relative numerical errors of the viscosity and thermal conductivity do not exceed 1.e-6 and 1.e-5, respectively. The relative uncertainty related to the interatomic potential is about 0.1%. A comparison of the present data with results reported in other papers available in the literature shows a significant improvement of accuracy of the transport coefficients considered here.
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