Molecular Dynamics Studies of Gaseous Transport

By Ki-Ho Lee1, Jason Myers1, Susan Sinnott1

1. University of Florida

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Carbon nanotubes (CNTs) have generated a great deal of interest due to their unique properties. In this study, we examine the transport properties of various nanotubes using REBO-MD to determine the effects of diameter and chirality on transport mode. Both oxygen and methane were diffused through different CNTs. It was determined that non-equlibrium transport through CNTs results in anomalous diffusion. As nanotube diameter increases, transport becomes more normal.

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  • Ki-Ho Lee; Jason Myers; Susan Sinnott (2006), "Molecular Dynamics Studies of Gaseous Transport,"

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