Effect of chemical potential on the computer simulation of hydrogen storage in single walled carbon nanotubes

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	Effect of chemical potential on the computer simulation of hydrogen storage in single walled carbon nanotubes
	H. Zheng; S. Q. Wang; H. M. Cheng
	2004
发表期刊	Science in China Series B-Chemistry
ISSN	1006-9291
卷号	47 期号:3 页码:222-227
摘要	Grand canonical Monte Carlo molecular simulations were carried out for hydrogen adsorption in single-walled carbon nanotubes. It was found that variations in chemical potential may result in a great change in the hydrogen storage capacity of single-walled carbon nanotubes. Hydrogen adsorption isotherms of single-walled carbon nanotubes at 298.15 K were calculated using a modified chemical potential, and the result obtained is closer to the experimental results. By comparing the experimental and simulation results, it is proposed that chemical adsorption may exist for hydrogen adsorption in single-walled carbon nanotubes.
部门归属	chinese acad sci, met res inst, shenyang natl lab mat sci, shenyang 110016, peoples r china.;cheng, hm (reprint author), chinese acad sci, met res inst, shenyang natl lab mat sci, shenyang 110016, peoples r china;cheng@imr.ac.cn
关键词	Chemical Potential Monte Carlo Simulation Single Walled Nanotube Hydrogen Adsorption Simulation Adsorption Arrays Pores
URL	查看原文
WOS记录号	WOS:000222903400007
引用统计	被引频次：5[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/35749
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	H. Zheng,S. Q. Wang,H. M. Cheng. Effect of chemical potential on the computer simulation of hydrogen storage in single walled carbon nanotubes[J]. Science in China Series B-Chemistry,2004,47(3):222-227.
APA	H. Zheng,S. Q. Wang,&H. M. Cheng.(2004).Effect of chemical potential on the computer simulation of hydrogen storage in single walled carbon nanotubes.Science in China Series B-Chemistry,47(3),222-227.
MLA	H. Zheng,et al."Effect of chemical potential on the computer simulation of hydrogen storage in single walled carbon nanotubes".Science in China Series B-Chemistry 47.3(2004):222-227.