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Water transport through carbon nanotubes with defects
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Nicholls, W. D., Borg, M. K., Lockerby, Duncan A. and Reese, Jason M. (2012) Water transport through carbon nanotubes with defects. Molecular Simulation, Volume 38 (Number 10). pp. 781-785. doi:10.1080/08927022.2011.654205 ISSN 0892-7022.
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Official URL: http://dx.doi.org/10.1080/08927022.2011.654205
Abstract
Non-equilibrium molecular dynamics simulations are performed to investigate how changing the number of structural defects in the wall of a (7,7) single-walled carbon nanotube (CNT) affects water transport and internal fluid dynamics. Structural defects are modelled as vacancy sites (missing carbon atoms). We find that, while fluid flow rates exceed continuum expectations, increasing numbers of defects lead to significant reductions in fluid velocity and mass flow rate. The inclusion of such defects causes a reduction in the water density inside the nanotubes and disrupts the nearly frictionless water transport commonly attributed to CNTs.
Item Type: | Journal Article | ||||
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Divisions: | Faculty of Science, Engineering and Medicine > Engineering > Engineering | ||||
Journal or Publication Title: | Molecular Simulation | ||||
Publisher: | Taylor & Francis Inc. | ||||
ISSN: | 0892-7022 | ||||
Official Date: | 2012 | ||||
Dates: |
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Volume: | Volume 38 | ||||
Number: | Number 10 | ||||
Page Range: | pp. 781-785 | ||||
DOI: | 10.1080/08927022.2011.654205 | ||||
Status: | Peer Reviewed | ||||
Publication Status: | Published | ||||
Access rights to Published version: | Restricted or Subscription Access |
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