Citation:
Dimitrios Mantzalis, Nikolaos Asproulis and Dimitris Drikakis. Filtering carbon dioxide through carbon nanotubes. Chemical Physics Letters, Volume 506, Issues 1-3, 11 April 2011, Pages 81-85
Abstract:
Layering phenomena of carbon dioxide transported through carbon nanotubes are
investigated through molecular dynamics simulations. The layering formation is
examined for carbon nanotubes spanning from (8,8) to (20,20) subjected to
pressures and temperatures that range from 1 to 20 bar and 300 to 400 K,
respectively. Well defined layers are developed around the internal and external
surface of the nanotubes for all the examined cases. It is shown that the number
of layers along with their relative strength varies as a function of the
nanotube's diameter, size, carbon dioxide density and gas-structure
interactions.