Study of Xenon, Argon, Neon and Helium Absorption on Carbon Nanotube Bundles with various Diameters using molecular dynamics simulation

In this study, we have used molecular dynamic simulation to study the absorption of noble gases on bundle of carbon nanotubes. Absorption of Xe, Ar, Ne and He on bundle of carbon nanotubes have been studied at several pressures and constant temperature. The bundles of (8,8), (9,9), (10,10), (11,11) and (12,12) are considered. Dependence of absorption converge on diameter of carbon nanotubes in saturation conditions has been studied. The results show that absorption occurs both inside and outside of nanotubes. The absorption coverage are increased and then saturated by pressure enhancement. Only Ne and He gases are observed in the space between three (11, 11) and (12, 12) nanotubes. The result indicate that carbon nanotubes are good candidate for gas storage.