TY - JOUR
T1 - Characterization of CO2 flow through charged carbon nanotubes
AU - Mantzalis, Dimitrios
AU - Asproulis, Nikolaos
AU - Drikakis, Dimitris
N1 - Presented at the 1st European Conference on Gas Micro Flows (GasMems 2012),
6–8 June 2012, Skiathos, Greece.
PY - 2012/5/23
Y1 - 2012/5/23
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.
KW - charged carbon nanotubes
KW - equilibrium transport
KW - Fickian diffusion
KW - flowthrough
KW - molecular dynamics simulations
KW - molecular transport
KW - single file diffusion
KW - loading
KW - molecular dynamics
KW - single-walled carbon nanotubes
UR - http://www.scopus.com/inward/record.url?eid=2-s2.0-84872194993&partnerID=40&md5=7521689d54836e10700352eec945fcae
U2 - 10.1088/1742-6596/362/1/012019
DO - 10.1088/1742-6596/362/1/012019
M3 - Article
VL - 362
JO - Journal of Physics: Conference Series
JF - Journal of Physics: Conference Series
SN - 1742-6588
IS - 1
M1 - 012019
ER -