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Water transport through carbon nanotubes with defects

Nicholls, William and Borg, Matthew Karl and Lockerby, Duncan A. and Reese, Jason (2012) Water transport through carbon nanotubes with defects. Molecular Simulation, 38 (10). pp. 781-785. ISSN 0892-7022

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    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-wall 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: Article
    ID code: 41101
    Keywords: carbon nanotubes, molecular dynamics, water flow, defects, Mechanical engineering and machinery, Mechanical Engineering, Fluid Flow and Transfer Processes, Mechanics of Materials
    Subjects: Technology > Mechanical engineering and machinery
    Department: Faculty of Engineering > Mechanical and Aerospace Engineering
    Technology and Innovation Centre > Advanced Engineering and Manufacturing
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    Depositing user: Pure Administrator
    Date Deposited: 12 Sep 2012 10:43
    Last modified: 27 Mar 2014 22:05
    URI: http://strathprints.strath.ac.uk/id/eprint/41101

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