Interphase of a polymer at a solid interface

H. J. Butt, H. Duran, W. Egger, F. Faupel, V. Harmandaris, S. Harms, K. Johnston, K. Kremer, F. Y. Lin, L. Lue, C. Ohrt, K. Raetzke, L. Ravelli, W. Steffen, S. D. B. Vianna

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Abstract

Atomistic molecular dynamics simulations of a chemically realistic model of atactic short-chain polystyrene between gold surfaces (111) and Positron Annihilation Lifetime Spectroscopy experiments on similar polystyrene thin films on gold were performed. Results from both approaches show that the free volume voids in the film have a slightly smaller average size than in bulk polystyrene. In agreement to that the existence of an interphase of higher density at the polymer-solid substrate interface is shown both by the simulation as well as in the experiment. The average shape of the voids is similar in the bulk and the film.
Original languageEnglish
Pages (from-to)8459-8465
Number of pages7
JournalMacromolecules
Volume47
Issue number23
DOIs
Publication statusPublished - 2014

Keywords

  • molecular dynamics simulations
  • gold surfaces
  • polymers

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