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Polymers near a Surface: An ab initio Density Functional based Multiscale Modeling Approach

  • Luigi Delle Site
Part of the Lecture Notes in Computational Science and Engineering book series (LNCSE, volume 39)

Abstract

The study of surface-polymer interface properties (e.g. adhesion behaviour and its influence on the melt morphology) is a field of large interest for scientific as well as technological reasons. The theoretical description and prediction of such properties plays a crucial role in improving technological processes but at the same time requires the development of accurate tools of study. Current analytical and semi-analytical approaches (see for example Refs.[Ei94,Fl98]) describe polymers and surfaces as ideal mathematical objects while simulation studies have been restricted to bead-spring models of polymers interacting with a purely repulsive wall or a wall with an arbitrary attraction (see for example Ref.[Ab02a]

Keywords

Multiscale Modeling Approach High Symmetry Site 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer-Verlag Berlin Heidelberg 2004

Authors and Affiliations

  • Luigi Delle Site
    • 1
  1. 1.Max-Planck-Institute for Polymer ResearchMainzGermany

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