GCMC simulation of hydrogen physisorption on carbon nanotubes and nanotube arrays

被引：85

作者：

Cheng, JR ^{[1
]}

Yuan, XH ^{[1
]}

Zhao, L ^{[1
]}

Huang, DC ^{[1
]}

Zhao, M ^{[1
]}

Dai, L ^{[1
]}

Ding, R ^{[1
]}

机构：

[1] Anhui Univ, Dept Phys, Hefei 230039, Peoples R China

来源：

CARBON | 2004年 / 42卷 / 10期

关键词：

carbon nanotubes; adsorption; modeling; gas storage;

D O I：

10.1016/j.carbon.2004.04.006

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Properties of hydrogen physisorption in single-walled carbon nanotubes (SWCNTs), multi-walled carbon nanotubes (MWCNTs) and SWCNT arrays are investigated in detail by grand canonical Monte Carlo simulation. The optimization of hydrogen storage capacity at 298 K and 10 MPa as a function of SWCNT diameter, MWCNT inter-tube spacing, and SWCNT array configuration is discussed. (C) 2004 Elsevier Ltd. All rights reserved.

引用

页码：2019 / 2024

页数：6

共 13 条

[1] Influence of temperature on mixture adsorption in carbon nanotubes: a grand canonical Monte Carlo study [J].