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Molecular Dynamics Study on Diameter Effect in Structure of Ethanol Molecules Confined in Single-Walled Carbon Nanotubes

โœ Scribed by Shao, Q.; Huang, L.; Zhou, J.; Lu, L.; Zhang, L.; Lu, X.; Jiang, S.; Gubbins, K.E.; Zhu, Y.; Shen, W.


Book ID
126463566
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
272 KB
Volume
111
Category
Article
ISSN
1932-7447

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Molecular dynamics simulation was carried out to investigate the behavior of (5,5) and (10,10) armchair carbon nanotubes in water under tensile loading. The water molecules inside a nanoscale tube, unlike inside a bulk tube, have a confined effect. The local density distributions of oxygen and hydro