Abstract
Molecular-Dynamics computer simulations were used to study 2 nm wide polystyrene films confined in slit pores, defined by inorganic crystalline surfaces. The simulated systems mimic experimentally studied hybrid materials, where polystyrene is intercalated between mica-type, atomically smooth, crystalline layers. A comparison between the experimental findings and the simulation results aims at revealing the molecular origins of the macroscopically observed behavior, and thus provide insight about polymers in severe/nanoscopic confinements, as well as polymers in the immediate vicinity of solid surfaces. Pronounced dynamic inhomogeneities are found across the 2 nm thin film, with fast relaxing moieties located in low local density regions throughout the film. The origins of this behavior are traced to the confinement-induced density inhomogeneities, which are stabilized over extended time scales by the solid surfaces.
Original language | English (US) |
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Pages (from-to) | 193-199 |
Number of pages | 7 |
Journal | European Physical Journal E |
Volume | 8 |
Issue number | 2 |
DOIs | |
State | Published - May 2002 |
All Science Journal Classification (ASJC) codes
- Biotechnology
- Biophysics
- General Chemistry
- General Materials Science
- Surfaces and Interfaces