Layering phenomena of carbon dioxide and argon transported through carbon nanotubes are investigated through molecular dynamics simulations. The layering formation is examined for carbon nanotubes spanning from (6, 6) to (30, 30) subjected to pressures ranging from 5-20 bar at 300 K. Well defined layers are developed into the internal surface of the nanotubes for all the examined cases. It is also shown that the number of layers along with their absolute strength varies as a function of the nanotube's diameter, carbon dioxide and argon's density and gas-structure interactions. Finally the diffusion into the interior region of the nanotubes has been examined showing a Fickian diffusion mode.
|Number of pages||12|
|Publication status||Published - 9 Sep 2011|
|Event||13th International Conference on Civil, Structural and Environmental Engineering Computing, CC 2011 - Chania, Crete, Greece|
Duration: 6 Sep 2011 → 9 Sep 2011
|Conference||13th International Conference on Civil, Structural and Environmental Engineering Computing, CC 2011|
|Abbreviated title||CC 2011|
|Period||6/09/11 → 9/09/11|
- binary mixtures
- molecular dynamics
- carbon nanotubes
- carbon dioxide
- environmental engineering
Mantzalis, D., Asproulis, N., & Drikakis, D. (2011). Binary mixture filtering using carbon nanotubes. 13th International Conference on Civil, Structural and Environmental Engineering Computing, CC 2011, Chania, Crete, Greece.