Why are fluid densities so low in carbon nanotubes?
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Why are fluid.pdf
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1013.32 KB
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Author(s)
Wang, Gerald Jonathan
Hadjiconstantinou, Nicolas
Date Issued
May 2015
Journal
Physics of Fluids
Publisher
American Institute of Physics (AIP)
Citation
Wang, Gerald J., and Nicolas G. Hadjiconstantinou. “Why Are Fluid Densities so Low in Carbon Nanotubes?” Physics of Fluids 27.5 (2015): 052006. © 2015 AIP Publishing LLC
Version
Final published version
Abstract
The equilibrium density of fluids under nanoconfinement can differ substantially from their bulk density. Using a mean-field approach to describe the energetic landscape near the carbon nanotube (CNT) wall, we obtain analytical results describing the lengthscales associated with the layering observed at the interface of a Lennard-Jones fluid and a CNT. We also show that this approach can be extended to describe the multiple-ring structure observed in larger CNTs. When combined with molecular simulation results for the fluid density in the first two rings, this approach allows us to derive a closed-form prediction for the overall equilibrium fluid density as a function of CNT radius that is in excellent agreement with molecular dynamics simulations. We also show how aspects of this theory can be extended to describe some features of water confinement within CNTs and find good agreement with results from the literature.
MIT Department
Massachusetts Institute of Technology. Department of Mechanical Engineering
Terms of Use
Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.
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DOI of Published Version
https://doi.org/10.1063/1.4921140
