TY - JOUR
T1 - Characterization of CO2 flow through charged carbon nanotubes
AU - Mantzalis, Dimitrios
AU - Asproulis, Nikolaos
AU - Drikakis, Dimitris
PY - 2012/1/1
Y1 - 2012/1/1
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=84872194993&partnerID=8YFLogxK
U2 - 10.1088/1742-6596/362/1/012019
DO - 10.1088/1742-6596/362/1/012019
M3 - Conference article
AN - SCOPUS:84872194993
SN - 1742-6588
VL - 362
JO - Journal of Physics: Conference Series
JF - Journal of Physics: Conference Series
IS - 1
M1 - 012019
T2 - 1st European Conference on Gas Micro Flows, GasMems 2012
Y2 - 6 June 2012 through 8 June 2012
ER -