Diffusive and Superdiffusive Motion of sorbates in Carbon nanotubes

Abstract

Molecular dynamics simulations of sorbates of different sizes confined to the interior of carbon nanotubes are reported. The mean squared displacement shows gradual change from diffusive for small sorbates to superdiffusive for intermediate sized-sorbates to ballistic for sizes comparable to the channel diameter. We show that this crossover behaviour can be understood on the basis of a gradual decrease of the x-y component of the force with the levitation parameter. The analysis can also help to rationalize some recently published results.