Hydrogen bond network in the hydration layer of the water confined in nanotubes increasing the dielectric constant parallel along the nanotube axis

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	Hydrogen bond network in the hydration layer of the water confined in nanotubes increasing the dielectric constant parallel along the nanotube axis
	Qi, WP; Zhao, HW
刊名	JOURNAL OF CHEMICAL PHYSICS
	2015
卷号	143 期号:11 页码:—
关键词	CARBON NANOTUBES MOLECULAR-DYNAMICS CHANNEL PERMITTIVITY MEMBRANES SIMULATIONS RELAXATION NANOSCALE TRANSPORT PROTEINS
ISSN号	0021-9606
通讯作者	Qi, WP (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Key Lab Interfacial Phys & Technol, Shanghai 201800, Peoples R China.
英文摘要	The water confined in nanotubes has been extensively studied, because of the potential usages in drug delivery and desalination. The radial distribution of the dielectric constant parallel along the nanotube axis was obtained by molecular dynamics simulations in a carbon nanotube and a nanotube with a very small van der Waals potential. The confined water was divided into two parts, the middle part water and the hydration water. In both cases, the hydrogen bond orientation of the middle water is isotropic, while the hydrogen bonds in hydration layers are apt to parallel along the nanotube axis. Therefore, the hydration water has higher dipole correlations increasing the dielectric constant along the nanotube axis. (C) 2015 AIP Publishing LLC.
语种	英语
WOS记录号	WOS:000361843900054
公开日期	2016-03-08
内容类型	期刊论文
源URL	[http://ir.sinap.ac.cn/handle/331007/24947]
专题	上海应用物理研究所_中科院上海应用物理研究所2011-2017年
推荐引用方式 GB/T 7714	Qi, WP,Zhao, HW. Hydrogen bond network in the hydration layer of the water confined in nanotubes increasing the dielectric constant parallel along the nanotube axis[J]. JOURNAL OF CHEMICAL PHYSICS,2015,143(11):—.
APA	Qi, WP,&Zhao, HW.(2015).Hydrogen bond network in the hydration layer of the water confined in nanotubes increasing the dielectric constant parallel along the nanotube axis.JOURNAL OF CHEMICAL PHYSICS,143(11),—.
MLA	Qi, WP,et al."Hydrogen bond network in the hydration layer of the water confined in nanotubes increasing the dielectric constant parallel along the nanotube axis".JOURNAL OF CHEMICAL PHYSICS 143.11(2015):—.