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Computer simulation of the glass transition of polymer melts

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Application of Scattering Methods to the Dynamics of Polymer Systems

Part of the book series: Progress in Colloid & Polymer Science ((PROGCOLLOID,volume 91))

Abstract

Bond fluctuation models on square and simple cubic lattices at melt densities are simulated, using potentials depending on the length of the (effective) bond (and also on the bond angle, in d=3 dimensions). Various relaxation functions have the Kohlrausch-Williams-Watts (KWW) form; the associated relaxation time diverges as exp (const/T 2) in d=2 and as exp [const/T−T 0)] in d=3. For d=3 the self-diffusion constant also follows the Vogel-Fulcher law, with T 0=250 K for chain lengths N=20 and potentials adapted to bisphenol-A-polycarbonate [BPA-PC].

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References

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Author information

Authors and Affiliations

  1. IFF, Forschungszentrum Jülich, FRG

    K. Kremer

  2. Institut für Theoretische Physik, Universität Heidelberg, FRG

    D. W. Heermann

  3. Institute für Physik, Johannes Gutenberg-Universität Mainz, Saudingerweg 7, D-W-6500, Mainz, FRG

    K. Binder, W. Paul, H. P. Wittmann & J. Baschnagel

Authors
  1. K. Binder
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  2. W. Paul
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  3. H. P. Wittmann
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  4. J. Baschnagel
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  5. K. Kremer
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  6. D. W. Heermann
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Editor information

B. Ewen E. W. Fischer G. Fytas

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© 1993 Dr. Dietrich Steinkopff Verlag GmbH & Co. KG

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Binder, K., Paul, W., Wittmann, H.P., Baschnagel, J., Kremer, K., Heermann, D.W. (1993). Computer simulation of the glass transition of polymer melts. In: Ewen, B., Fischer, E.W., Fytas, G. (eds) Application of Scattering Methods to the Dynamics of Polymer Systems. Progress in Colloid & Polymer Science, vol 91. Steinkopff. https://doi.org/10.1007/BFb0116443

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  • DOI: https://doi.org/10.1007/BFb0116443

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  • Publisher Name: Steinkopff

  • Print ISBN: 978-3-7985-0952-8

  • Online ISBN: 978-3-7985-1678-6

  • eBook Packages: Springer Book Archive

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