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Simulation of Polymers Using the Ellipsoidal Model

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Book cover Computer Simulation Studies in Condensed-Matter Physics X

Part of the book series: Springer Proceedings in Physics ((SPPHY,volume 83))

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Abstract

We present a recently developed model for polymer simulation, the ellipsoidal model. The geometric shape of the chemically realistic monomers is conserved by using ellipsoids as building units for the coarse grained model of the monomers. Static and dynamical properties are investigated using a parameterization for the Bisphenol-A-Polycarbonate. Our advantage employing this model is, that smaller chain lenths can be used to investigate physical properties than with other models. One also can reinsert the chemically realistic chain after a simulation to investigate properties of the atomistic scale.

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Author information

Authors and Affiliations

  1. Institut für Theoretische Physik, Universität Heidelberg, Philosophenweg 19, D-69120, Heidelberg, Germany

    G. Schöppe

  2. Interdisziplinäres Zentrum für wissenschaftliches Rechnen, Universität Heidelberg, Germany

    D. W. Heermann

Authors
  1. G. Schöppe
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  2. D. W. Heermann
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Editor information

Editors and Affiliations

  1. Center for Simulational Physics, The University of Georgia, 30602, Athens, GA, USA

    David P. Landau Ph. D. , K. K. Mon Ph. D.  & Heinz-Bernd Schüttler Ph. D. ,  & 

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© 1998 Springer-Verlag Berlin Heidelberg

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Schöppe, G., Heermann, D.W. (1998). Simulation of Polymers Using the Ellipsoidal Model. In: Landau, D.P., Mon, K.K., Schüttler, HB. (eds) Computer Simulation Studies in Condensed-Matter Physics X. Springer Proceedings in Physics, vol 83. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-46851-3_23

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  • DOI: https://doi.org/10.1007/978-3-642-46851-3_23

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-46853-7

  • Online ISBN: 978-3-642-46851-3

  • eBook Packages: Springer Book Archive

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