CAS OpenIR  > 中科院上海应用物理研究所2004-2010年
The structure and dynamics of water inside armchair carbon nanotube
Zhou, XY; Lu, HJ(陆杭军); Zhou, XY (reprint author), Zhenjiang Normal Univ, Dept Phys, Jinhua 321004, Peoples R China
2007
Source PublicationCHINESE PHYSICS
ISSN1009-1963
Volume16Issue:2Pages:335
AbstractIn this paper we present some simulation results about the behaviour of water molecules inside a single wall carbon nanotube (SWNT). We find that the confinement of water in an SWNT can induce a wave-like pattern distribution along the channel axis, similar phenomena are also observed in biological water channels. Carbon nanotubes(CNTs) can serve as simple nonpolar water channels. Molecular transport through narrow CNTs is highly collective because of tight hydrogen bonds in the protective environment of the pore. The hydrogen bond net is important for proton and other signal transports. The average dipoles of water molecules inside CNTs (7,7), (8,8) and (9,9) are discussed in detail. Simulation results indicate that the states of dipole are affected by the diameter of SWNT. The number of hydrogen bonds, the water-water interaction and water-CNT interaction are also studied in this paper.
KeywordCarbon Nanotube Molecular Dynamics Simulation Water Channel
Subject AreaPhysics
Indexed BySCI
Language英语
Funding Project应物所项目组
WOS IDWOS:000243725600011
Citation statistics
Cited Times:24[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/8691
Collection中科院上海应用物理研究所2004-2010年
Corresponding AuthorZhou, XY (reprint author), Zhenjiang Normal Univ, Dept Phys, Jinhua 321004, Peoples R China
Recommended Citation
GB/T 7714
Zhou, XY,Lu, HJ,Zhou, XY . The structure and dynamics of water inside armchair carbon nanotube[J]. CHINESE PHYSICS,2007,16(2):335.
APA Zhou, XY,Lu, HJ,&Zhou, XY .(2007).The structure and dynamics of water inside armchair carbon nanotube.CHINESE PHYSICS,16(2),335.
MLA Zhou, XY,et al."The structure and dynamics of water inside armchair carbon nanotube".CHINESE PHYSICS 16.2(2007):335.
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