Characterization of CO2 flow through charged carbon nanotubes

Dimitrios Mantzalis, Nikolaos Asproulis, Dimitris Drikakis

Research output: Contribution to journalArticle

1 Citation (Scopus)

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.
LanguageEnglish
Article number012019
Number of pages9
JournalJournal of Physics: Conference Series
Volume362
Issue number1
DOIs
Publication statusPublished - 23 May 2012

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carbon nanotubes
files
ballistics
nanotubes
interactions
electrostatics
molecular dynamics
simulation

Keywords

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

Cite this

Mantzalis, Dimitrios ; Asproulis, Nikolaos ; Drikakis, Dimitris. / Characterization of CO2 flow through charged carbon nanotubes. In: Journal of Physics: Conference Series . 2012 ; Vol. 362, No. 1.
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Characterization of CO2 flow through charged carbon nanotubes. / Mantzalis, Dimitrios; Asproulis, Nikolaos; Drikakis, Dimitris.

In: Journal of Physics: Conference Series , Vol. 362, No. 1, 012019, 23.05.2012.

Research output: Contribution to journalArticle

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