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Simulations of Pressurized Water Flow through Carbon Nanotubes

Published online by Cambridge University Press:  01 February 2011

Samantha Shaw  and
David Faux
Samantha Shaw
Affiliation:
s.shaw@surrey.ac.uk, University of Surrey, Physics, ATI, Guildford, United Kingdom
David Faux
Affiliation:
d.faux@surrey.ac.uk, University of Surrey, Physics, ATI, Guildford, United Kingdom
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Abstract

Molecular dynamics simulations of the flow of pressurised water through carbon nanotubes of chirality (9,0), (12,0), (15,0) and (18,0) have been undertaken at 298K with a water density of approximately 1240kg/m3. Results show that the rate of filling is least in the smallest diameter nanotube, but that there is less variation in the time taken to reach maximum occupancy. The water molecules are found to undergo restructuring due to their confinement, with detailed molecular arrangement dependent on CNT diameter. Enhanced rates of flow are shown for the (15,0) nanotube, highlighting the effect of nanotube diameter on confinement and thus on flow.

Keywords

Cwaternanoscale
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1258: Symposia P/Q/R – Low-Dimensional Functional Nanostructures-Fabrication, Characterization and Applications , 2010 , 1258-R10-07
Copyright
Copyright © Materials Research Society 2010

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