Interphase of a Polymer at a Solid Interface

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 fre...

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Bibliographic Details
Published inMacromolecules Vol. 47; no. 23; pp. 8459 - 8465
Main Authors Butt, H. J, Duran, H, Egger, W, Faupel, F, Harmandaris, V, Harms, S, Johnston, K, Kremer, K, Lin, F. Y, Lue, L, Ohrt, C, Raetzke, K, Ravelli, L, Steffen, W, Vianna, S. D. B
Format Journal Article
LanguageEnglish
Published Washington, DC American Chemical Society 09.12.2014
Subjects
Applied sciences
Exact sciences and technology
Organic polymers
Physicochemistry of polymers
Properties and characterization
Surface properties
Interface structure
Gold
Monodispersed polymer
Computer simulation
Solid solid interface
Molecular dynamics method
Styrene polymer
Positron annihilation
Experimental study
Atactic polymer
Thin film
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Summary: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.
ISSN:0024-9297
1520-5835
DOI:10.1021/ma501747j