TY - JOUR
T1 - Filtering carbon dioxide through carbon nanotubes
AU - Mantzalis, D.
AU - Asproulis, N.
AU - Drikakis, D.
PY - 2011/4/11
Y1 - 2011/4/11
N2 - 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.
AB - 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.
KW - layering phenomena
KW - carbon nanotubes
KW - molecular dynamics simulations
UR - http://www.scopus.com/inward/record.url?eid=2-s2.0-79953251765&partnerID=40&md5=3bc5403071b4aaa0cc52113b783b0768
U2 - 10.1016/j.cplett.2011.02.054
DO - 10.1016/j.cplett.2011.02.054
M3 - Article
VL - 506
SP - 81
EP - 85
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 1-3
ER -