Abstract
To study the possible application of nanotubes as gas storage materials, noble gases adsorption on carbon nanotube bundles has been studied using the molecular dynamics simulation. Adsorption isotherms of Ar, Kr, and Xe on bundles of (10,10) single walled carbon nanotubes have been investigated at various pressures and temperatures. The results indicate that adsorption occur both internal pore volume and external surface of the open-ended carbon nanotubes. It is found that endohedral and exohedral adsorption coverages depend on temperature. We have also calculated isosteric heat of adsorption, binding energy, and isometric heat capacity. The values of these quantities indicate that carbon nanotube bundles can be used as materials for storage of noble gases.
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