Simulation Based Design of Polymer Clay Nanocomposites Using Multiscale Modeling: An Overview

  1. Sanjay Mathur,
  2. Mrityunjay Singh,
  3. Dileep Singh and
  4. Jonathan Salem
  1. Dinesh R. Katti and
  2. Kalpana S. Katti

Published Online: 14 JAN 2010

DOI: 10.1002/9780470584378.ch4

Nanostructured Materials and Nanotechnology III

Nanostructured Materials and Nanotechnology III

How to Cite

Katti, D. R. and Katti, K. S. (2009) Simulation Based Design of Polymer Clay Nanocomposites Using Multiscale Modeling: An Overview, in Nanostructured Materials and Nanotechnology III (eds S. Mathur, M. Singh, D. Singh and J. Salem), John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/9780470584378.ch4

Publication History

  1. Published Online: 14 JAN 2010
  2. Published Print: 9 NOV 2009

ISBN Information

Print ISBN: 9780470457573

Online ISBN: 9780470584378

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Keywords:

  • polymer clay nanocomposites;
  • multiscale modeling;
  • finite element method;
  • atomic force microscopy;
  • thermal properties

Summary

This chapter contains sections titled:

  • Introduction

  • Nature of Molecular Interactions in PCN

  • MD Model Development

  • Influence of Organic Modifiers on Crystallinity and Nanomechanical Properties

  • Molecular Interactions Influence Crystallinity and Nanomechanical Properties

  • Properties and Extent of Altered Polymer in PCN Using Multiscale Techniques

  • Conclusions

  • Acknowledgements

  • References