Characterization of CO2 flow through charged carbon nanotubes

Dimitrios Mantzalis, Nikolaos Asproulis, Dimitris Drikakis

Research output: Contribution to journalConference articlepeer-review


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
JournalJournal of Physics: Conference Series
Issue number1
Publication statusPublished - 1 Jan 2012
Event1st European Conference on Gas Micro Flows, GasMems 2012 - Skiathos, Greece
Duration: 6 Jun 20128 Jun 2012


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