Molecular simulations and measurement of adsorption in porous carbon nanotubes

摘要

Interest in carbon nanotubes as potential adsorbents has been stimulated by a claim that they might be useful for hydrogen storage at room temperature. Open ended carbon nanotubes are potentially powerful carbon adsorbents with cylindrical micropores or mesopores, depending upon their diameter. additionally, the interstices in arrays of nanotubes may provide supplementary microporous or mesoporous adsorption spaces. Grand canonical Monte Carlo molecualr simulations of adsorption of nitrogen at 77 K use gas-solid potentials that have been developed for exohedral and endohedral adsorption in model single-wall nanotubes. Simulations have been carried out on individual and square arrays of nanotubes. Experimetnal measurements of adsorption of nitrogen at 77 K have been performed on single-wall and multi-wall nanotubes.