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题名: Hydrogen bonding and transportation properties of water confined in the single-walled carbon nanotube in the pulse-field
作者: Zhou, Min1;  Hu, Ying1;  Liu, Jian-chuan2, 3, 4;  Cheng, Ke5;  Jia, Guo-zhu1
关键词: Molecular dynamics ;  Carbon nanotubes ;  Diffusivity ;  Hydrogen bonding
刊名: CHEMICAL PHYSICS LETTERS
发表日期: 2017-10-16
DOI: 10.1016/j.cplett.2017.08.022
卷: 686, 页:173-177
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Chemistry ;  Physics
英文摘要: In this paper, molecular dynamics simulations were performed to investigate the transportation and hydrogen bonding dynamics of water confined in (6, 6) single-walled carbon nanotube (SWCNT) in the absence and presence of time-dependent pulse-field. The effects of pulse-field range from microwave to ultraviolet frequency on the diffusivity and hydrogen bonding of confined water were analyzed. The significant confinement effect due to the narrow space inside SWCNT was observed. (C) 2017 Published by Elsevier B.V.
关键词[WOS]: MOLECULAR-DYNAMICS SIMULATIONS ;  ELECTRIC-FIELDS ;  ICE NANOTUBES ;  LIQUID WATER ;  DIFFUSION ;  NANORINGS ;  FLOW
语种: 英语
WOS记录号: WOS:000410844000028
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/150135
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Sichuan Normal Univ, Coll Phys & Elect Engn, Chengdu 610101, Sichuan, Peoples R China
2.Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, Beijing 100190, Peoples R China
3.Chinese Acad Sci, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China
4.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
5.Chengdu Univ Informat Technol, Coll Optoelect Technol, Chengdu 610225, Sichuan, Peoples R China

Recommended Citation:
Zhou, Min,Hu, Ying,Liu, Jian-chuan,et al. Hydrogen bonding and transportation properties of water confined in the single-walled carbon nanotube in the pulse-field[J]. CHEMICAL PHYSICS LETTERS,2017,686:173-177.
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