Pressure-driven water flow through carbon nanotubes: Insights from molecular dynamics simulation

Pressure-driven water flow through carbon nanotubes (CNTs) is examined using molecular dynamics simulation. The results are compared to reported experimental flow rate measurements through similarly sized CNTs and larger carbon nanopipes. By using molecular dynamics simulation to predict the variati...

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Bibliographic Details
Published in:International journal of thermal sciences 2010-02, Vol.49 (2), p.281-289
Main Authors: Thomas, John A., McGaughey, Alan J.H., Kuter-Arnebeck, Ottoleo
Format: Article
Language:English
Subjects:
Applied fluid mechanics
Carbon nanopipes
Carbon nanotubes
Carbon nanotubes (CNT)
Exact sciences and technology
Flow rate
Fluid dynamics
Fluidics
Fundamental areas of phenomenology (including applications)
Molecular dynamics
Molecular dynamics simulation
Nanocomposites
Nanomaterials
Nanostructure
Physics
Simulation
Slip flow
Water flow
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Summary:Pressure-driven water flow through carbon nanotubes (CNTs) is examined using molecular dynamics simulation. The results are compared to reported experimental flow rate measurements through similarly sized CNTs and larger carbon nanopipes. By using molecular dynamics simulation to predict the variation of water viscosity and slip length with CNT diameter, we find that flow through CNTs with diameters as small as 1.66 nm can be fully understood using continuum fluid mechanics. Potential mechanisms to explain the differences between the flow rates predicted from simulation and those measured in experiments are identified and discussed.
ISSN:1290-0729
1778-4166
DOI:10.1016/j.ijthermalsci.2009.07.008