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Sorbates in carbon nanotubes: Transition from diffusive to superdiffusive motion

Bhide, Shreyas Y and Ghosh, Debashree and Yashonath, S and Ananthakrishna, G (2004) Sorbates in carbon nanotubes: Transition from diffusive to superdiffusive motion. In: Current Science, 87 (7). pp. 971-975.

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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. We propose that the relevant quantity to understand the recently reported results by others and ourselves, of diffusivities in carbon nanotube is the levitation parameter and not the smoothness of the carbon nanotube. This explanation helps rationalize in a coherent way all of the recently published results.

Item Type: Journal Article
Publication: Current Science
Publisher: Indian Academy of Sciences
Additional Information: Copyright of this article belongs to Indian Academy of Sciences.
Department/Centre: Division of Chemical Sciences > Materials Research Centre
Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 01 Dec 2004
Last Modified: 01 Mar 2012 10:08
URI: http://eprints.iisc.ac.in/id/eprint/2391

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