Characterization of CO2 flow through charged carbon nanotubes

Dimitrios Mantzalis; Nikolaos Asproulis; Dimitris Drikakis

doi:10.1088/1742-6596/362/1/012019

Characterization of CO2 flow through charged carbon nanotubes

Dimitrios Mantzalis, Nikolaos Asproulis, Dimitris Drikakis

Faculty Of Engineering

Research output: Contribution to journal › Article

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.

Original language	English
Article number	012019
Number of pages	9
Journal	Journal of Physics: Conference Series
Volume	362
Issue number	1
DOIs	https://doi.org/10.1088/1742-6596/362/1/012019
Publication status	Published - 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

Cite this

Mantzalis, D., Asproulis, N., & Drikakis, D. (2012). Characterization of CO2 flow through charged carbon nanotubes. Journal of Physics: Conference Series , 362(1), [012019]. https://doi.org/10.1088/1742-6596/362/1/012019

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Access to Document

10.1088/1742-6596/362/1/012019

Link to publication in Scopus