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Comparison research for free diffusion and absorption status of H2
Xiao Ming1, Li Zhi-Hao1, Dai Wei2, Tang Yong-Jian3
(1)Department of Physics and Electronics, Hubei University of Education, Wuhan 430205, China; (2)Department of Physics and Electronics, Hubei University of Education, Wuhan 430205, China;Research Centre of Laser Fusion, China Academy of Engineering Physics, Mianyang 621900, China;Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences; (3)Research Centre of Laser Fusion, China Academy of Engineering Physics, Mianyang 621900, China
Abstract 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. H2 molecules are distributed mainly at the surface of carbon nanotube.
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2012, Vol. 61 
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