Cited Article: Hummer, G. Water conduction through the hydrophobic channel of a carbon nanotube
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Number of Citing Articles: 1 new records this week (1 in this e-mail)
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Title:
Kinetics of water filling the hydrophobic channels of narrow carbon nanotubes studied by molecular dynamics simulations
Authors:
Wu, KF; Zhou, B; Xiu, P; Qi, WP; Wan, RZ; Fang, HP
Author Full Names:
Wu, Kefei; Zhou, Bo; Xiu, Peng; Qi, Wenpeng; Wan, Rongzheng; Fang, Haiping
Source:
JOURNAL OF CHEMICAL PHYSICS 133 (20): Art. No. 204702 NOV 28 2010
Language:
English
Document Type:
Article
KeyWords Plus:
LIQUID WATER; NANOPORES; MECHANISM; COEXISTENCE; PERMEATION; CONDUCTION; TRANSPORT; MEMBRANES; SYSTEMS; ICE
Abstract:
The kinetics of water filling narrow single-walled carbon nanotubes was studied using molecular dynamics simulations. The time required to fully fill a nanotube was linear with respect to the tube length. We observed that water molecules could enter into nanotubes of different lengths, either from one end or from both ends. The probability of having a nanotube filled completely from both ends increased exponentially with the tube length. For short tubes, filling usually proceeded from only one end. For long tubes, filling generally proceeded from both tube ends over three stages, i.e., filling from one end, filling from both ends, and filling from both ends with the dipole reorientation of water molecules to give a concerted ordering within the fully filled tube. The water molecules in the partially filled nanotube were hydrogen bonded similarly to those in the fully filled nanotube. Simulations for the reference Lennard-Jones fluid without hydrogen bonds were also performed
and showed that the filling behavior of water molecules can be attributed to strong intermolecular hydrogen bonding. (C) 2010 American Institute of Physics. [doi:10.1063/1.3509396]
Reprint Address:
Fang, HP, Chinese Acad Sci, Shanghai Inst Appl Phys, POB 800-204, Shanghai 201800, Peoples R China.
Research Institution addresses:
[Wu, Kefei; Zhou, Bo; Qi, Wenpeng; Wan, Rongzheng; Fang, Haiping] Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China; [Wu, Kefei; Zhou, Bo] Chinese Acad Sci, Grad Sch, Beijing 100080, Peoples R China; [Xiu, Peng] Zhejiang Univ, Dept Phys, Bio X Lab, Hangzhou 310027, Peoples R China; [Qi, Wenpeng] Shandong Univ, Sch Phys, Jinan 250100, Peoples R China; [Fang, Haiping] CAS, TPCSF, Beijing 100049, Peoples R China
E-mail Address:
fanghaiping@sinap.ac.cn
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Cited Reference Count:
48
Times Cited:
0
Publisher:
AMER INST PHYSICS; CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA
Subject Category:
Physics, Atomic, Molecular & Chemical
ISSN:
0021-9606
DOI:
10.1063/1.3509396
IDS Number:
690LB
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