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Molecular Dynamics Simulation of A Langmuir Monolayer

Published online by Cambridge University Press:  21 February 2011

James P. Bareman  and
Michael L. Klein
James P. Bareman
Affiliation:
Department of Chemistry and Laboratory for Research on the Structure of Matter, University of Pennsylvania, Philadelphia, PA 19104–6323
Michael L. Klein
Affiliation:
Department of Chemistry and Laboratory for Research on the Structure of Matter, University of Pennsylvania, Philadelphia, PA 19104–6323
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Abstract

Molecular dynamics calculations were carried out for a Langmuir monolayer at high density. A model was employed in which the motions of both the amphiphiles and the water are allowed, enabling investigation of the details of the water-monolayer interaction and the structure of the interface. Results are presented for the density profiles of the water and the amphiphiles and for the distribution of gauche defects.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 237: Symposium Ca – Interface Dynamics and Growth , 1991 , 271
Copyright
Copyright © Materials Research Society 1992

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