Atomic Mechanisms and Equation of State of Methane Adsorption in Carbon Nanopores

CORC > 力学研究所 > 中国科学院力学研究所 > 非线性力学国家重点实验室

	Atomic Mechanisms and Equation of State of Methane Adsorption in Carbon Nanopores
	Zhu XY; Zhao YP(赵亚溥); Zhu XY(朱雪燕)
刊名	JOURNAL OF PHYSICAL CHEMISTRY C
	2014-08-07
通讯作者邮箱	yzhao@imech.ac.cn
卷号	118 期号:31 页码:17737-17744
ISSN号	1932-7447
通讯作者	Zhao, YP (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
产权排序	[Zhu, Xueyan; Zhao, Ya-Pu] Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China
合作状况	国内
中文摘要	Adsorption is an important issue both in the estimation of natural gas reserves and efficient storage of methane. In this study, we focus on the mechanisms of methane adsorption in carbon nanopores and endeavor to establish the equation of state for the adsorbed phase through molecular dynamics simulations and theoretical analyses. Here, the nanopores were modeled by carbon nanotubes (CNTs). The higher storage capacity of the CNT compared to the bulk phase was attributed to the additional pressure exerted by the CNT wall on the adsorbed phase, considering which, the equation of state for the adsorbed phase was established. As the CNT diameter increases, the adsorption structure transforms from a single-file chain to two adsorption layers. Moreover, it was found that there exists an optimal CNT diameter that maximizes the adsorption, which is due to the competition between the curvature effect and the size effect. In the explanation of this phenomenon, the nanostructure of the CNT wall plays an important role, without considering which, the adsorption density would monotonically decrease as the CNT diameter rises. Our findings and related analyses may help reveal the underlying mechanisms behind the adsorption phenomena, which is not only of theoretical importance, but may also help estimate the natural gas reserves and design nanoporous materials with higher storage capacity.
学科主题	Chemistry; Science & Technology - Other Topics; Materials Science
分类号	一类
收录类别	SCI ; EI
资助信息	This work was jointly supported by the National Natural Science Foundation of China (NSFC, grant no. 11372313), the Key Research Program of the Chinese Academy of Sciences (grant no. KJZD-EW-M01), and the Instrument Developing Project of the Chinese Academy of Sciences (grant no. Y2010031).
原文出处	http://dx.doi.org/10.1021/jp5047003
语种	英语
WOS记录号	WOS:000340222300064
公开日期	2014-09-24
内容类型	期刊论文
源URL	[http://dspace.imech.ac.cn/handle/311007/49064]
专题	力学研究所_非线性力学国家重点实验室
推荐引用方式 GB/T 7714	Zhu XY,Zhao YP,Zhu XY. Atomic Mechanisms and Equation of State of Methane Adsorption in Carbon Nanopores[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2014,118(31):17737-17744.
APA	Zhu XY,Zhao YP,&Zhu XY.(2014).Atomic Mechanisms and Equation of State of Methane Adsorption in Carbon Nanopores.JOURNAL OF PHYSICAL CHEMISTRY C,118(31),17737-17744.
MLA	Zhu XY,et al."Atomic Mechanisms and Equation of State of Methane Adsorption in Carbon Nanopores".JOURNAL OF PHYSICAL CHEMISTRY C 118.31(2014):17737-17744.