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Dynamics of small molecules in bulk polymers

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Atomistic Modeling of Physical Properties

Part of the book series: Advances in Polymer Science ((POLYMER,volume 116))

Abstract

The mechanisms operative in diffusion and solubility of light gases in amorphous, dense polymer systems are discussed. Two types of methods used, Molecular Dynamics simulation and an approach based on Transition State Theory, are described. The methods prove to be complementary and to yield identical results in the areas where both can be independently applied.

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Author information

Authors and Affiliations

  1. Institute of Polymers, ETH-Zentrum, CH-8092, Zürich, Switzerland

    A. A. Gusev & U. W. Suter

  2. Laboratory of Physical Chemistry, ETH-Zentrum, CH-8092, Zürich, Switzerland

    F. Müller-Plathe & W. F. van Gunsteren

Authors
  1. A. A. Gusev
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  2. F. Müller-Plathe
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  3. W. F. van Gunsteren
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  4. U. W. Suter
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Editor information

Lucien Monnerie U. W. Suter

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© 1994 Springer-Verlag

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Gusev, A.A., Müller-Plathe, F., van Gunsteren, W.F., Suter, U.W. (1994). Dynamics of small molecules in bulk polymers. In: Monnerie, L., Suter, U.W. (eds) Atomistic Modeling of Physical Properties. Advances in Polymer Science, vol 116. Springer, Berlin, Heidelberg . https://doi.org/10.1007/BFb0080200

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  • DOI: https://doi.org/10.1007/BFb0080200

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  • Print ISBN: 978-3-540-57827-7

  • Online ISBN: 978-3-540-48352-6

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