Modelling the Adsorption of Methane Molecules into Carbon Nanotubes

摘要

We investigate the prospect of methane gas storage in carbon nanotubes, and in particular we determine the interaction energy between a methane molecule and (9, 5), (8,8) and (10,10) carbon nanotubes. Employing the Lennard-Jones potential together with the continuous approximation, we determine analytically the interaction energy for a methane molecule inside a carbon nanotube. Our results indicate that larger tubes are highly favoured sites for methane storage although smaller tubes might be superior for methane adsorption at higher temperatures, especially in the range 400 - 500 K.