| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1563226 | Computational Materials Science | 2008 | 4 Pages |
Abstract
The functional relation between chemical potential and bulk pressure in an open system was investigated. The chemical potential as a function of the bulk pressure was presented, and the validity of the function was proved. The influence of chemical potential on computer simulation of hydrogen storage in single-walled carbon nanotube array (SWCNTA) was analyzed in detail by the grand canonical Monte Carlo simulation. The results show that the influence of chemical potential on computer simulation of hydrogen storage in SWCNTA is remarkable.
Keywords
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Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
Jinrong Cheng, Libo Zhang, Rui Ding, Zhenfeng Ding, Xiao Wang, Zhi Wang, Xing Fang,