Characterization of CO2 flow through charged carbon nanotubes

Dimitrios Mantzalis, Nikolaos Asproulis, Dimitris Drikakis

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Abstract

The equilibrium transport of CO2 through infinitely long charged and uncharged single-walled carbon nanotubes has been examined by employing molecular dynamics simulations. It has been shown that the molecular transport concludes into a Fickian diffusion for all the examined cases. Ballistic and single-file diffusion mechanisms have been met especially in cases where the degree of loading is low since at higher pressures the electrostatic interactions derived by the charge of the nanotubes is canceled by the stronger SWNT-CO2 interactions.
Original languageEnglish
Article number012019
Number of pages9
JournalJournal of Physics: Conference Series
Volume362
Issue number1
DOIs
Publication statusPublished - 23 May 2012

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Keywords

  • charged carbon nanotubes
  • equilibrium transport
  • Fickian diffusion
  • flowthrough
  • molecular dynamics simulations
  • molecular transport
  • single file diffusion
  • loading
  • molecular dynamics
  • single-walled carbon nanotubes

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