Chapter 2. Modeling of Polymer Matrix Nanocomposites

  1. Dr. Purushottam D. Gujrati5,6 and
  2. Dr. Arkadii I. Leonov7
  1. Hendrik Heinz1,
  2. Soumya S. Patnaik2,
  3. Ras B. Pandey3 and
  4. Barry L. Farmer4

Published Online: 16 JUL 2010

DOI: 10.1002/9783527630257.ch2

Modeling and Simulation in Polymers

Modeling and Simulation in Polymers

How to Cite

Heinz, H., Patnaik, S. S., Pandey, R. B. and Farmer, B. L. (2010) Modeling of Polymer Matrix Nanocomposites, 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.ch2

Editor Information

  1. 5

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

  2. 6

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

  3. 7

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

Author Information

  1. 1

    The University of Akron, Department of Polymer Engineering, Akron, OH 44325, USA

  2. 2

    Thermal and Electrochemical Branch, Energy Power Thermal Devision, Propulsion Directorate, Air Force Research Laboratory, Dayton, OH 45433, USA

  3. 3

    University of Southern Mississippi, Department of Physics and Astronomy, Hattiesburg, MS 39406, USA

  4. 4

    Wright-Patterson Air Force Base, Air Force Research Laboratory, Materials and Manufacturing Directorate, Dayton, OH 45433, USA

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 model;
  • degrees of freedom;
  • dispersion behavior;
  • host matrix;
  • Monte Carlo simulation;
  • nanoclay composite;
  • polymer matrix nanocomposites;
  • radius of gyration

Summary

This chapter contains sections titled:

  • Introduction

  • Polymer Clay Nanocomposites and Coarse-Grained Models

  • All-Atom Models for Interfaces and Application to Clay Minerals

  • Interfacial Thermal Properties of Cross-Linked Polymer–CNT Nanocomposites

  • Conclusion

  • References