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Phys. Rev. Lett. 94, 125701 (2005) [4 pages]

Formation of Odd-Numbered Clusters of CO2 Adsorbed on Nanotube Bundles

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Liang Chen and J. Karl Johnson*
National Energy Technology Laboratory, Pittsburgh, Pennsylvania, 15236 USA and Department of Chemical Engineering, University of Pittsburgh, Pittsburgh, Pennsylvania 15261, USA

Received 22 July 2004; published 28 March 2005

Simulations show that CO2 adsorbed in the groove sites of carbon nanotubes displays unique quasi-one-dimensional behavior. Clusters containing only odd numbers of molecules are formed at finite CO2 coverages and low temperatures. The molecules are orientationally ordered with respect to the nanotube groove axis and azimuthally ordered in the plane perpendicular to the groove axis. This ordering is a result of a delicate balance between solid-fluid and fluid-fluid forces; the CO2 quadrupole plays a critical role in the cluster formation and orientational ordering.

© 2005 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.94.125701
DOI:
10.1103/PhysRevLett.94.125701
PACS:
64.60.–i, 05.70.–a, 61.30.Hn, 68.43.–h

*Electronic address: karlj@pitt.edu