Why are fluid densities so low in carbon nanotubes?
Author(s)
Wang, Gerald Jonathan; Hadjiconstantinou, Nicolas
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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.
Date issued
2015-05Department
Massachusetts Institute of Technology. Department of Mechanical EngineeringJournal
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
ISSN
1070-6631
1089-7666