Staggered alignment of quadrupolar molecules inside carbon nanotubes

Grand canonical Monte Carlo molecular simulations of the adsorption of three quadrupolar molecules-nitrogen (N-2), carbon dioxide (CO2), and perfluoroethane (C2F6)-within single walled carbon nanotubes are reported. A unique slanted ordering is seen in the nanotubular systems (1-D geometry) which has not been reported before nor is present in slit nanopores (2-D geometry), and is due to the particular combination of steric effects and the unique anisotropic attraction experienced by these fluids.