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.
|Journal||Journal of Physics: Conference Series|
|Publication status||Published - 1 Jan 2012|
|Event||1st European Conference on Gas Micro Flows, GasMems 2012 - Skiathos, Greece|
Duration: 6 Jun 2012 → 8 Jun 2012