Nonequilibrium molecular dynamics simulation of transport of gas mixtures in nanopores

被引：89

作者：

Xu, LF ^{[1
]}

Sedigh, MG ^{[1
]}

Sahimi, M ^{[1
]}

Tsotsis, TT ^{[1
]}

机构：

[1] Univ So Calif, Dept Chem Engn, Los Angeles, CA 90089 USA

来源：

PHYSICAL REVIEW LETTERS | 1998年 / 80卷 / 16期

关键词：

D O I：

10.1103/PhysRevLett.80.3511

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The results of the first nonequilibrium molecular dynamics simulation of transport of a gas mixture through a carbon nanopore, in the presence of an external chemical potential gradient, are reported. While the structure of the pore walls and the composition of the mixture have essentially no effect on the separation factor, the temperature of the system and the pore size strongly influence it. The results are in qualitative agreement with the new experimental data that are presented in this Letter.

引用

页码：3511 / 3514

页数：4

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