Hydrodynamic properties of carbon nanotubes

We study water flowing past an array of single walled carbon nanotubes using nonequilibrium molecular dynamics simulations. For carbon nanotubes mounted with a tube spacing of 16.4 x 16.4 nm and diameters of 1.25 and 2.50 nm, respectively, we find drag coefficients in reasonable agreement with the m...

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Bibliographic Details
Published in:Physical review. E, Statistical, nonlinear, and soft matter physics Statistical, nonlinear, and soft matter physics, 2004-06, Vol.69 (6 Pt 1), p.062201-062201, Article 062201
Main Authors: Walther, J H, Werder, T, Jaffe, R L, Koumoutsakos, P
Format: Article
Language:English
Subjects:
Computer Simulation
Microfluidics - methods
Models, Chemical
Motion
Nanotubes, Carbon - chemistry
Solutions
Surface Properties
Water - chemistry
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Summary:We study water flowing past an array of single walled carbon nanotubes using nonequilibrium molecular dynamics simulations. For carbon nanotubes mounted with a tube spacing of 16.4 x 16.4 nm and diameters of 1.25 and 2.50 nm, respectively, we find drag coefficients in reasonable agreement with the macroscopic, Stokes-Oseen solution. The slip length is -0.11 nm for the 1.25 nm carbon nanotube, and 0.49 for the 2.50 nm tube for a flow speed of 50 m/s, respectively, and 0.28 nm for the 2.50 nm tube at 200 m/s. A slanted flow configuration with a stream- and spanwise velocity component of 100 ms(-1) recovers the two-dimensional results, but exhibits a significant 88 nm slip along the axis of the tube. These results indicate that slip depends on the particular flow configuration.
ISSN:1539-3755
1550-2376
DOI:10.1103/PhysRevE.69.062201