Tunable transport of a methane-water mixture through a carbon nanotube.

Driving methane out of a nanochannel efficiently is important for methane accumulation. In this article, we investigate the occupancy and the transport properties of a methane-water mixture in a carbon nanotube using molecular dynamics simulations under the influence of an electric field. The strength and the direction of the electric field affect the occupancy and the transport order in the carbon nanotube. Once the carbon nanotube is filled with methane (or water) molecules, the transfer of the other molecules is blocked. The adsorption process of methane or water molecules in the carbon nanotube is reversible by opening or closing the electric field. Our findings are beneficial for the tunable transport in a nanochannel. [ABSTRACT FROM AUTHOR]