Cited Article: Hummer, G. Water conduction through the hydrophobic channel of a carbon nanotube
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Title:
Effect of the position of constriction on water permeation across a single-walled carbon nanotube
Authors:
Wu, LS; Wu, FM; Kou, JL; Lu, HJ; Liu, Y
Author Full Names:
Wu, Linsong; Wu, Fengmin; Kou, Jianlong; Lu, Hangjun; Liu, Yang
Source:
PHYSICAL REVIEW E 83 (6): Art. No. 061913 Part 1 JUN 16 2011
Language:
English
Document Type:
Article
KeyWords Plus:
MOLECULAR-DYNAMICS; CHANNELS; TRANSPORT; CONDUCTION; AQUAPORIN-1; SIMULATION; MEMBRANES; IONS
Abstract:
The transportation of water across a cell membrane facilitated by water channel proteins is fundamental to the normal water metabolism in all forms of life. It is understood that the narrow region in a water channel is responsible for gating or selectivity. However, the influence of the position of the narrow region on water transportation is still not thoroughly understood. By choosing a single-walled carbon nanotube (SWNT) as a simplified model and using molecular dynamics simulation, we have found that the water flux through the nanotube would change significantly if the narrow location moves away from the middle region along the tube. Simulation results show that the flux reaches the maximum when the deformation occurs in the middle part of nanotube and decreases as the deformation location moves toward the ends of the nanotube. However, the decrease of water flux is not monotonic and the flux gets the minimum near the ends. These interesting phenomena can be explained in terms of water-water interactions and water-SWNT interactions. It can be concluded that the regulation of water transportation through nanopores depends sensitively on the location of the narrow region, and these findings are helpful in devising high flux nanochannels and nanofiltration as well.
Reprint Address:
Wu, LS, Zhejiang Normal Univ, Dept Phys, Jinhua 321004, Peoples R China.
Research Institution addresses:
[Wu, Linsong; Wu, Fengmin; Kou, Jianlong; Lu, Hangjun] Zhejiang Normal Univ, Dept Phys, Jinhua 321004, Peoples R China; [Liu, Yang] Hong Kong Polytech Univ, Dept Mech Engn, Hong Kong, Hong Kong, Peoples R China
E-mail Address:
zjlhjun@zjnu.cn; mmyliu@polyu.edu.hk
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Cited Reference Count:
38
Times Cited:
0
Publisher:
AMER PHYSICAL SOC; ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
Subject Category:
Physics, Fluids & Plasmas; Physics, Mathematical
ISSN:
1539-3755
DOI:
10.1103/PhysRevE.83.061913
IDS Number:
778UG
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