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; Qi, WP (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Key Lab Interfacial Phys & Technol, Shanghai 201800, Peoples R China.
2015
发表期刊JOURNAL OF CHEMICAL PHYSICS
ISSN0021-9606
卷号143期号:11页码:
文章类型期刊文献
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.
关键词Carbon Nanotubes Molecular-dynamics Channel Permittivity Membranes Simulations Relaxation Nanoscale Transport Proteins
语种英语
WOS记录号WOS:000361843900054
引用统计
被引频次:2[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.sinap.ac.cn/handle/331007/24947
专题中科院上海应用物理研究所2011-2018年
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.
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Qi, WP,Zhao, HW,Qi, WP . 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,&Qi, WP .(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):—.
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