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

Research output: Contribution to journalArticle

14 Citations (Scopus)

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.
LanguageEnglish
Pages8459-8465
Number of pages7
JournalMacromolecules
Volume47
Issue number23
DOIs
Publication statusPublished - 2014

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Polystyrenes
Polymers
Gold
Positron annihilation
Free volume
Molecular dynamics
Experiments
Spectroscopy
Thin films
Computer simulation
Substrates

Keywords

  • molecular dynamics simulations
  • gold surfaces
  • polymers

Cite this

Butt, H. J., Duran, H., Egger, W., Faupel, F., Harmandaris, V., Harms, S., ... Vianna, S. D. B. (2014). Interphase of a polymer at a solid interface. Macromolecules, 47(23), 8459-8465. https://doi.org/10.1021/ma501747j
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. / Interphase of a polymer at a solid interface. In: Macromolecules. 2014 ; Vol. 47, No. 23. pp. 8459-8465.
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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.",
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Butt, HJ, Duran, H, Egger, W, Faupel, F, Harmandaris, V, Harms, S, Johnston, K, Kremer, K, Lin, FY, Lue, L, Ohrt, C, Raetzke, K, Ravelli, L, Steffen, W & Vianna, SDB 2014, 'Interphase of a polymer at a solid interface' Macromolecules, vol. 47, no. 23, pp. 8459-8465. https://doi.org/10.1021/ma501747j

Interphase of a polymer at a solid interface. / 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.

In: Macromolecules, Vol. 47, No. 23, 2014, p. 8459-8465.

Research output: Contribution to journalArticle

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T1 - Interphase of a polymer at a solid interface

AU - Butt, H. J.

AU - Duran, H.

AU - Egger, W.

AU - Faupel, F.

AU - Harmandaris, V.

AU - Harms, S.

AU - Johnston, K.

AU - Kremer, K.

AU - Lin, F. Y.

AU - Lue, L.

AU - Ohrt, C.

AU - Raetzke, K.

AU - Ravelli, L.

AU - Steffen, W.

AU - Vianna, S. D. B.

PY - 2014

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AB - 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.

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KW - gold surfaces

KW - polymers

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Butt HJ, Duran H, Egger W, Faupel F, Harmandaris V, Harms S et al. Interphase of a polymer at a solid interface. Macromolecules. 2014;47(23):8459-8465. https://doi.org/10.1021/ma501747j