Title of article
Influence of chemical potential on the computer simulation of hydrogen storage in single-walled carbon nanotube array
Author/Authors
Cheng، نويسنده , , Jinrong “Patrick” Zhang، نويسنده , , Libo and Ding، نويسنده , , Rui and Ding، نويسنده , , Zhenfeng and Wang، نويسنده , , Xiao and Wang، نويسنده , , Zhi and Fang، نويسنده , , Xing، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2008
Pages
4
From page
601
To page
604
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
Hydrogen storage , Open system , Single-walled carbon nanotube array , Grand canonical Monte Carlo simulation , chemical potential , Bulk pressure
Journal title
Computational Materials Science
Serial Year
2008
Journal title
Computational Materials Science
Record number
1684100
Link To Document