Comparison research for free diffusion and absorption status of H2

被引：3
|
作者：
Dai Wei [1 ,2 ,3 ]
Xiao Ming [1 ]
Li Zhi-Hao [1 ]
Tang Yong-Jian [2 ]
机构：
[1] Hubei Univ Educ, Dept Phys & Elect, Wuhan 430205, Peoples R China
[2] China Acad Engn Phys, Res Ctr Laser Fus, Mianyang 621900, Peoples R China
[3] Chinese Acad Sci, Wuhan Inst Phys & Math, Wuhan 430071, Peoples R China
来源：
ACTA PHYSICA SINICA | 2012年 / 61卷 / 01期
关键词：
hydrogen storage; carbon nanotube; Monte Carlo of a grand canonical ensemble; MOLECULAR STATISTICAL CALCULATION; MONTE-CARLO-SIMULATION; HYDROGEN-STORAGE; ADSORPTION; CANDIDATES; METHANE;
D O I：
10.7498/aps.61.016801
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
The Monte Carlo method of grand canonical ensemble is used to simulate the adsorption process of hydrogen storage in carbon nanotube. Results show that the hydrogen storage capacity of (30,30) armchair carbon nanotubes is 3.74 wt% at 77 K and 2 MPa and at 77 K 7.4 wt% and 10 MPa. H-2 molecules are distributed mainly at the surface of carbon nanotube.
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页数：6
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