Molecular Dynamics Studies of Gaseous Transport

By Ki-Ho Lee1; Jason Myers1; Susan Sinnott1

1. University of Florida

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Abstract

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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Researchers should cite this work as follows:

  • Ki-Ho Lee, Jason Myers, Susan Sinnott (2006), "Molecular Dynamics Studies of Gaseous Transport," https://nanohub.org/resources/1198.

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