Cited Article: Maibaum, L. A coarse-grained model of water confined in a hydrophobic tube
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Title:
Water transportation across narrow channel of nanometer dimension
Authors:
Wan, RZ; Fang, HP
Author Full Names:
Wan, Rongzheng; Fang, Haiping
Source:
SOLID STATE COMMUNICATIONS 150 (21-22): 968-975 Sp. Iss. SI JUN 2010
Language:
English
Document Type:
Article
Author Keywords:
Nanochannel; Single-file water; Molecule dynamics simulations
KeyWords Plus:
CARBON NANOTUBE MEMBRANES; MOLECULAR-DYNAMICS; GATING MECHANISM; H+ CONDUCTION; FREE-ENERGY; PROTEIN; PROTON; MICROFLUIDICS; AQUAPORIN-1; RECOGNITION
Abstract:
Since the discovery of the carbon nanotube and aquaporin, the study of the transportation of water across nanochannels has become one of the hot subjects. When the radius of a nanochannel is only about one nanometer or a little larger, water confined in those nanoscale channels usually exhibits dynamics different from those in bulk system, such as the wet-dry transition due to the confinement, concerted hydrogen-bond orientations and flipping, concerted motion of water molecules, and strong interactions with external charges. Those dynamics correlate with the unique behavior of the water transportation across the channels, such as the extra-high permeability, excellent on-off gating behavior with response to the external mechanical and electrical signals and noises, enhancement by structure outside the channel, directional transportation driven by charges close to a channel or electric field. In this article, we review some of the recent progress on the study of the water mo!
lecules inside those narrow nanochannels. (C) 2010 Elsevier Ltd. All rights reserved.
Reprint Address:
Fang, HP, Chinese Acad Sci, Shanghai Inst Appl Phys, POB 800-204, Shanghai 201800, Peoples R China.
Research Institution addresses:
[Wan, Rongzheng; Fang, Haiping] Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China
E-mail Address:
fanghaiping@sinap.ac.cn
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Cited Reference Count:
104
Times Cited:
0
Publisher:
PERGAMON-ELSEVIER SCIENCE LTD; THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
Subject Category:
Physics, Condensed Matter
ISSN:
0038-1098
DOI:
10.1016/j.ssc.2010.01.016
IDS Number:
603IL
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Title:
A Study on the Behavior of Water Droplet Confined between an Atomic Force Microscope Tip and Rough Surfaces
Authors:
Ko, JA; Choi, HJ; Ha, MY; Hong, SD; Yoon, HS
Author Full Names:
Ko, Jeong-Ahn; Choi, Ho-Jin; Ha, Man-Yeong; Hong, Seung-Do; Yoon, Hyun-Sik
Source:
LANGMUIR 26 (12): 9728-9735 JUN 15 2010
Language:
English
Document Type:
Article
KeyWords Plus:
MOLECULAR-DYNAMICS; ADHESION FORCES; CONTACT ANGLES; HUMID AIR; CAPILLARY; WETTABILITY; SIMULATION; ENERGY; LOTUS
Abstract:
The atomic force microscope (AFM) is used for imaging, measuring, and manipulating matter at the nanoscale. It is well-known that water condenses between an AFM tip and a solid surface, thereby generating a pull-off force acting on the tip. We investigated the behavior of a water meniscus between the tip and a solid surface using molecular dynamics simulation. We considered ideally smooth surfaces and rough surfaces that are regularly structured and randomly generated with a standard deviation of 2 angstrom. The characteristic energy values of the solid surfaces used in the study are 0.1, 0.5, 1.0, 1.5, 2.0, and 2.5 kcal/mol, and the tip-to-surface distance considered is in the range from 1.5 to 3.7 nm. The behavior of water confined between the tip and a solid surface depends on the characteristic energy of the solid surface, the tip-to-surface distance, and the shape of the solid surface. The contact angle, neck radius of the water meniscus, and absolute value of capillary!
force decreases as the tip-to-surface distance increases, regardless of the pattern of the solid surface. Compared to an ideally smooth surface, the effect of regularly structured roughness on the behavior of a water meniscus on a solid surface is significant, whereas the effect of randomly generated roughness is relatively small.
Reprint Address:
Ha, MY, Pusan Natl Univ, Sch Mech Engn, San 30, Pusan 609735, South Korea.
Research Institution addresses:
[Ko, Jeong-Ahn; Choi, Ho-Jin; Ha, Man-Yeong; Hong, Seung-Do] Pusan Natl Univ, Sch Mech Engn, Pusan 609735, South Korea; [Yoon, Hyun-Sik] Pusan Natl Univ, Adv Ship Engn Res Ctr, Pusan 609735, South Korea
E-mail Address:
myha@pusan.ac.kr
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Cited Reference Count:
33
Times Cited:
0
Publisher:
AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
Subject Category:
Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary
ISSN:
0743-7463
DOI:
10.1021/la100452m
IDS Number:
606LX
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