The origins of fast segmental dynamics in 2 nm thin confined polymer films

Research output: Contribution to journalArticle

42 Citations (Scopus)

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 languageEnglish (US)
Pages (from-to)193-199
Number of pages7
JournalEuropean Physical Journal E
Volume8
Issue number2
DOIs
StatePublished - May 1 2002

Fingerprint

Polystyrenes
Polymer films
solid surfaces
polystyrene
Polymers
inhomogeneity
Molecular Computers
polymers
Molecular Dynamics Simulation
mica
Computer Simulation
Crystalline materials
slits
computerized simulation
Hybrid materials
Mica
molecular dynamics
porosity
Molecular dynamics
thin films

All Science Journal Classification (ASJC) codes

  • Biotechnology
  • Biophysics
  • Chemistry(all)
  • Materials Science(all)
  • Surfaces and Interfaces

Cite this

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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.",
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The origins of fast segmental dynamics in 2 nm thin confined polymer films. / Manias, Evangelos; Kuppa, V.

In: European Physical Journal E, Vol. 8, No. 2, 01.05.2002, p. 193-199.

Research output: Contribution to journalArticle

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