Neon adsorbed in carbon nanotube bundles

Abstract

By means of path integral Monte Carlo calculations we were able to estimate the chemical potential of Ne atoms adsorbed in the interstitial channels of a bundle of (10,10) carbon nanotubes. This allows us to estimate the temperature and pressure conditions for Ne adsorption in those channels. We also calculate the conditions for Ne filling of a bundle of (5,5) tubes with their caps removed.