Simulation of hydrogen adsorption in carbon nanotube arrays

被引：8
|
作者：
Kovalev, Valery [1 ]
Yakunchikov, Artem [1 ]
Li, Fuhuo [2 ]
机构：
[1] Moscow MV Lomonosov State Univ, Dept Mech & Math, Moscow 119991, Russia
[2] Suda Commun Grp, Sanmenxia City, Peoples R China
来源：
ACTA ASTRONAUTICA | 2011年 / 68卷 / 7-8期
基金：
俄罗斯基础研究基金会;
关键词：
Molecular dynamics; Hydrogen storage; Adsorption; Carbon nanotubes;
D O I：
10.1016/j.actaastro.2010.09.007
中图分类号：
V [航空、航天];
学科分类号：
08 ; 0825 ;
摘要：
The hydrogen adsorption in carbon nanotubes arrays was studied through molecular dynamics simulation. The interactions are described by the Lennard-Jones potential. The relative mass content and density of hydrogen are obtained as functions of the pressure, temperature and the distance between the tubes in the array. The formation of a second adsorption layer at low temperatures is detected. The cluster geometry optimal for adsorption is found. (C) 2010 Elsevier Ltd. All rights reserved.
引用
收藏
页码：681 / 685
页数：5
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