Alexiadis, Alessio and Kassinos, Stavros (2008) The density of water in carbon nanotubes. CHEMICAL ENGINEERING SCIENCE, 63 (8). pp. 2047-2056.
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Official URL: http://dx.doi.org/10.1016/j.ces.2007.12.035
In this paper, the density of water confined in carbon nanotubes of different sizes and chirality is calculated. Molecular dynamics is used to simulate the spontaneous filling of the nanotube with water molecules coming from an external bath. Three H2O filling modes are found and a correlation, which relates the density with the nanotube diameter, is proposed. (C) 2008 Elsevier Ltd. All rights reserved.
|Uncontrolled Keywords:||carbon nanotubes; confined water; molecular dynamics|
|Subjects:||Physical Science > Nanophysics|
Physical Science > Nano objects
|Deposited By:||Farnush Anwar|
|Deposited On:||23 Dec 2008 15:54|
|Last Modified:||23 Dec 2008 15:54|
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