Simulation studies of ultrathin films of linear and branched alkanes on a metal substrate

Balasubramanian, S. ; Klein, Michael L. (1996) Simulation studies of ultrathin films of linear and branched alkanes on a metal substrate Journal of Physical Chemistry, 100 (29). pp. 11960-11963. ISSN 0022-3654.

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Official URL: http://pubs.acs.org/doi/abs/10.1021/jp9608887

Related URL: http://dx.doi.org/10.1021/jp9608887

Abstract

Ultrathin liquid films of three hexadecane isomers and of squalane physisorbed on a flat metal (Au(111)) surface have been studied by Monte Carlo and molecular dynamics simulations. Density oscillations arising from the layering of methyl and methylene groups on the surface are observed in all films. Branched molecules exhibit a decreased tendency to layer and an enhancement in the degree of interdigitation. Comparisons are made with recent surface force experiments and other simulation studies.

Item Type:Article
Source:Copyright of this article belongs to American Chemical Society.
ID Code:79814
Deposited On:30 Jan 2012 04:44
Last Modified:30 Jan 2012 04:44

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