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

S. Balasubramanian, Michael L. Klein, J. Ilja Siepmann

Research output: Contribution to journalArticlepeer-review

31 Scopus citations

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 mthylene 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.

Original languageEnglish (US)
Pages (from-to)11960-11963
Number of pages4
JournalJournal of physical chemistry
Volume100
Issue number29
DOIs
StatePublished - Jul 18 1996

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