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Type: Journal article
Title: Design parameters for carbon nanobottles to absorb and store methane
Author: Lee, R.
Hill, J.
Citation: Journal of Nanoscience and Nanotechnology, 2011; 11(8):6893-6903
Publisher: American Scientific Publishers
Issue Date: 2011
ISSN: 1533-4880
Statement of
Richard K.F. Lee and James M. Hill
Abstract: We investigate the internal mechanics for methane storage in a nanobottle, which is assumed to comprise a metallofullerene located inside a carbon nanobottle, which is constructed from a half-fullerene as the base, and two nanotubes which are joined by a nanocone. The interaction potential energy for the metallofullerene is obtained from the 6-12 Lennard-Jones potential and the continuum approximation, which assumes that a discrete atomic structure can be replaced by an average atomic surface density. This potential energy shows that the metallofullerene has two minimum energy positions, which are located close to the neck of the bottle and at the base of the nanobottle, and therefore it may be used as a bottle-stopper to open or to close the nanobottle. At the neck of the bottle, the encapsulated metallofullerene closes the nanobottle, and by applying an external electrical force, the metallofullerene can overcome the energy barrier of the nanotube, and pass from the neck of the nanobottle to the base so that the nanobottle is open. For methane storage, the metallofullerene serves the dual purposes of opening and closing the nanobottle, as well as an attractor for the methane gas. The analytical formulation gives rise to a rapid computational capacity, and enables the direct determination of the optimal dimensions necessary to ensure the correct working function of the nanobottle, and specific ranges for the critical parameters are formulated.
Keywords: Nanobottles
methane storage
design parameters for nanobottles
Lennard-Jones potential
Rights: Copyright © 2011 American Scientific Publishers
DOI: 10.1166/jnn.2011.4231
Grant ID: ARC
Appears in Collections:Aurora harvest
Mathematical Sciences publications

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