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Molecular Dynamics Study of Tethered Chains

Published

Author(s)

Raymond D. Mountain, Joseph B. Hubbard, Curtis W. Meuse, V Simmons

Abstract

The results of a series of molecular dynamics simulations of monolayer films formed by tethered, long chain molecules (octadecanthiol) are discussed. The emphasis is on the structure of the chains. The density profiles, the distribution of gauche defects along the chains, and two orientation measures are described. Where possible, the connections with experimental probes of such films are mentioned.
Citation
NIST Interagency/Internal Report (NISTIR) - 6481
Report Number
6481

Keywords

long chain molecules, molecular dynamics, monolayer films

Citation

Mountain, R. , Hubbard, J. , Meuse, C. and Simmons, V. (2000), Molecular Dynamics Study of Tethered Chains, NIST Interagency/Internal Report (NISTIR), National Institute of Standards and Technology, Gaithersburg, MD (Accessed May 26, 2024)

Issues

If you have any questions about this publication or are having problems accessing it, please contact reflib@nist.gov.

Created March 1, 2000, Updated October 16, 2008