Simulation of SF6 adsorption on the bundles of single walled carbon nanotubes

Using the Grand Canonical Monte Carlo simulation technique we study the storage of SF6 on the bundles of single-walled carbon nanotubes. We show that nanotube bundles may be efficient SF6 storage vessels, and there is no influence of chirality on adsorption. In the case of SF6 adsorption from the mixtures containing low concentration of this gas, the smallest tubes are the most promising adsorbents. Also the bundles composed of tubes having diameters 2.7–2.8 nm and accessible intestinal porosity are efficient. These tubes are also optimal for the high pressure SF6 volumetric storage.

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► Nanotube bundles may be efficient SF6 storage vessels.
► The smallest tubes are the most promising adsorbents.
► The tubes having diameters 2.7–2.8 nm are optimal for the high pressure SF6 storage.