Chapter 6. Simulations and Theories of Single Polyelectrolyte Chains

  1. Dr. Purushottam D. Gujrati3,4 and
  2. Dr. Arkadii I. Leonov5
  1. Arindam Kundagrami1,
  2. Rajeev Kumar1,2 and
  3. Murugappan Muthukumar1

Published Online: 16 JUL 2010

DOI: 10.1002/9783527630257.ch6

Modeling and Simulation in Polymers

Modeling and Simulation in Polymers

How to Cite

Kundagrami, A., Kumar, R. and Muthukumar, M. (2010) Simulations and Theories of Single Polyelectrolyte Chains, 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.ch6

Editor Information

  1. 3

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

  2. 4

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

  3. 5

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

Author Information

  1. 1

    University of Massachusetts, Polymer Science and Engineering Department, Amherst, MA, USA

  2. 2

    University of California, Materials Research Laboratory, Santa Barbara, CA, 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:

  • chain connectivity;
  • Coulomb interaction;
  • dielectric heterogeneity;
  • isolated flexible polyelectrolyte;
  • Langevin dynamics;
  • variational theory

Summary

This chapter contains sections titled:

  • Introduction

  • Simulation

  • The Variational Theory

  • The Self-Consistent Field Theory

  • Comparison of Theories: SCFT and Variational Formalism

  • Conclusions

  • References