Cited Article: Hummer, G. Water conduction through the hydrophobic channel of a carbon nanotube
Alert Expires: 09 NOV 2010
Number of Citing Articles: 2 new records this week (2 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
Liquid dimethyl sulphoxide confined by carbon nanotubes
Authors:
Chaban, VV; Kalugin, ON
Author Full Names:
Chaban, V. V.; Kalugin, O. N.
Source:
JOURNAL OF MOLECULAR LIQUIDS 151 (2-3): 113-116 FEB 10 2010
Language:
English
Document Type:
Article
Author Keywords:
Carbon nanotube; Dimethyl sulphoxide; Molecular dynamics simulation; Cylindrical distribution function
KeyWords Plus:
WATER; DYNAMICS; DIMETHYLSULFOXIDE; FLOW
Abstract:
Here, we report the molecular dynamics simulation on liquid dimethyl sulphoxide (DMSO) confined by single-walled carbon nanotubes (SWCNTs) in comparison with DMSO in the bulk phase at 298 K. The local order of DMSO, analysed in terms of radial distribution functions is similar to that in the bulk except the case with the SWCNT (8, 8) where the anomalous structure pattern is realized. Meanwhile, the translational self-diffusion coefficients of DMSO in confinements are much lower then in the bulk phase (by a factor of 2-3) and correlate with a value of the SWCNT internal diameter. Using cylindrical distribution functions of DMSO atoms we elucidate that the slowdown of self-diffusion coefficient of DMSO confined in the SWCNTs is reduced by the first layer of DMSO molecules close to the SWCNT wall. (C) 2009 Elsevier B.V. All rights reserved.
Reprint Address:
Kalugin, ON, Kharkov Natl Univ, Dept Inorgan Chem, Svoboda Sq 4, UA-61077 Kharkov, Ukraine.
Research Institution addresses:
[Chaban, V. V.; Kalugin, O. N.] Kharkov Natl Univ, Dept Inorgan Chem, UA-61077 Kharkov, Ukraine
E-mail Address:
Oleg.N.Kalugin@univer.kharkov.ua
Cited References:
ADYA AK, 2001, MOL PHYS, V99, P835.
CHABAN VV, 2008, J MOL LIQ, V145, P145.
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HANASAKI I, 2006, NANOTECHNOLOGY, V17, P2794, DOI 10.1088/0957-4484/17/11/012.
HUMMER G, 2001, NATURE, V414, P188.
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KALUGIN ON, 2006, KHARKIV U B, V597, P41.
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LEE Y, 2004, NANO LETT, V4, P619, DOI 10.1021/nl049946n.
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XUE YQ, 2006, NANOTECHNOLOGY, V17, P5216, DOI 10.1088/0957-4484/17/20/029.
Cited Reference Count:
21
Times Cited:
0
Publisher:
ELSEVIER SCIENCE BV; PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
Subject Category:
Chemistry, Physical; Physics, Atomic, Molecular & Chemical
ISSN:
0167-7322
DOI:
10.1016/j.molliq.2009.11.011
IDS Number:
569CK
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Title:
A Quasi-One-Dimensional Model for a Chain of Water Molecules on the Nanometer Scale
Authors:
Wu, KF; Wan, RZ; Wang, CL; Ren, XP; Fang, HP
Author Full Names:
Wu Ke-Fei; Wan Rong-Zheng; Wang Chun-Lei; Ren Xiu-Ping; Fang Hai-Ping
Source:
CHINESE PHYSICS LETTERS 27 (3): Art. No. 034501 MAR 2010
Language:
English
Document Type:
Article
KeyWords Plus:
CARBON NANOTUBES; CHANNEL; PERMEATION; CONDUCTION; DYNAMICS; AQUAPORIN-1; GRAMICIDIN; TRANSPORT; MECHANISM; WIRE
Abstract:
Water confined into the interior channels of narrow carbon nanotubes or transmembrane proteins can form collectively oriented molecular chains held together by tight hydrogen bonds. We develop a quasi-one-dimensional model for a chain of water molecules which interact with each other via the Coulomb and power-like repulsive interactions. We explore the equilibrium property of the water chain and derive an exact analytical expression for the total interaction energy of the water chain, denoted by W-int((0)). It is found that W-int((0)) is minimal when the distance between the two neighboring water molecules in a hydrogen-bonded chain is equal to 0.265 nm. The model is expected to be useful for studying analytically the properties of single-file water molecules inside water channels, such as the concerted motion of water molecules.
Reprint Address:
Wan, RZ, Chinese Acad Sci, Shanghai Inst Appl Phys, POB 800-204, Shanghai 201800, Peoples R China.
Research Institution addresses:
[Wu Ke-Fei; Wan Rong-Zheng; Wang Chun-Lei; Ren Xiu-Ping; Fang Hai-Ping] Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China; [Wu Ke-Fei; Wang Chun-Lei; Ren Xiu-Ping] Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China; [Fang Hai-Ping] Chinese Acad Sci, TPCSF, Beijing 100049, Peoples R China
E-mail Address:
wanrongzheng@sinap.ac.cn
Cited References:
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ZHU FQ, 2004, BIOPHYS J 1, V86, P50.
Cited Reference Count:
22
Times Cited:
0
Publisher:
IOP PUBLISHING LTD; DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
Subject Category:
Physics, Multidisciplinary
ISSN:
0256-307X
DOI:
10.1088/0256-307X/27/3/034501
IDS Number:
566NA
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