Chapter 5. Computational Approaches for Structure Formation in Multicomponent Polymer Melts

  1. Dr. Purushottam D. Gujrati2,3 and
  2. Dr. Arkadii I. Leonov4
  1. Marcus Müller

Published Online: 16 JUL 2010

DOI: 10.1002/9783527630257.ch5

Modeling and Simulation in Polymers

Modeling and Simulation in Polymers

How to Cite

Müller, M. (2010) Computational Approaches for Structure Formation in Multicomponent Polymer Melts, in Modeling and Simulation in Polymers (eds P. D. Gujrati and A. I. Leonov), Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany. doi: 10.1002/9783527630257.ch5

Editor Information

  1. 2

    The University of Akron, Department of Polymer Science, 302 Buchtel Common, Akron, OH 44325-3909, USA

  2. 3

    The University of Akron, The Departments of Physics and Polymer Science, Akron, OH 44325, USA

  3. 4

    The University of Akron, Department of Polymer Engineering, Polymer Engineering Academic Center, Akron, OH 44325-0301, USA

Author Information

  1. Georg-August-Universität, Institut für Theoretische Physik, 37077 Göttingen, Germany

Publication History

  1. Published Online: 16 JUL 2010
  2. Published Print: 21 APR 2010

ISBN Information

Print ISBN: 9783527324156

Online ISBN: 9783527630257

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Keywords:

  • coarse-grained models;
  • monomeric units;
  • multicomponent polymer melts;
  • phase separation;
  • thermodynamic integration

Summary

This chapter contains sections titled:

  • Minimal, Coarse-Grained Models, and Universality

  • From Particle-Based Models for Computer Simulations to Self-Consistent Field Theory: Hard-Core Models

  • From Field-Theoretic Hamiltonians to Particle-Based Models: Soft-Core Models

  • An Application: Calculating Free Energies of Self-Assembling Systems

  • Outlook

  • References