ISI Web of Knowledge Alert - Hummer, G

ISI Web of Knowledge Citation Alert (Solaris 2.1)

Cited Article: Hummer, G. Water conduction through the hydrophobic channel of a carbon nanotube
Alert Expires: 22 OCT 2009
Number of Citing Articles: 1 new records this week (1 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
Properties of Water Confined in an Amphiphilic Nanopore

Authors:
Kocherbitov, V

Author Full Names:
Kocherbitov, Vitaly

Source:
JOURNAL OF PHYSICAL CHEMISTRY C 112 (43): 16893-16897 OCT 30 2008

Language:
English

Document Type:
Article

Keywords Plus:
CARBON NANOTUBES; COMPUTER-SIMULATION; MESOPOROUS SILICA; PHASE-TRANSITIONS; MCM-41; HYDRATION; TEMPERATURE; DIFFUSION; SYSTEMS; SBA-15

Abstract:
Molecular dynamics simulations of water and nitrogen confined in a model amphiphilic nanotube were performed. The nanotube has a diameter of 4 mu and consists of hydrophobic atoms and regularly placed OH groups. The results show that the density of water close to the nanotube walls is lower compared to the density in the center of the nanotube. The hydrogen bonded network of water molecules is practically intact compared with the bulk water. The simulation confirms that the experimentally observed low formal density of water in the nanopores (0.88 g/cm(3)) is due to formation of small unfilled cavities adjacent to the pore walls. Nitrogen molecules are localized primarily in the unhydrated cavities. The presence of nitrogen molecules is not the main reason for the decrease of water density in the nanotube.

Reprint Address:
Kocherbitov, V, Malmo Univ, Fac Hlth & Soc, Biomed Lab Sci & Technol, SE-20506 Malmo, Sweden.

Research Institution addresses:
Malmo Univ, Fac Hlth & Soc, Biomed Lab Sci & Technol, SE-20506 Malmo, Sweden

E-mail Address:
Vitaly.Kocherbitov@mah.se

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Cited Reference Count:
27

Times Cited:
0

Publisher:
AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA

Subject Category:
Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary

ISSN:
1932-7447

DOI:
10.1021/jp805247b

IDS Number:
364TI

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