Description

Book Synopsis
The book is arranged not by methods, as are most books on this topic, but by properties, making it a practical choice for researchers who want to predict specific polymer properties using computer simulation. Chapters cover real polymer systems, of use to students, scientists, and engineers experimenting in the field.

Table of Contents
Preface (V. Galiatsatos).

1. Ab Initio Polymer Quantum Theory (B. Champagne).

2. Quantum-Chemistry-Based Force Fields For Polymers (G. Smith & O. Borodin).

3. Monte Carlo Simulations of Binary Polymer Liquids (M. Müller).

4. Mesoscopic Simulations of Polymer Mixtures (O. Evers).

5. Prediction of Mechanical Properties of Semicrystalline Polymers (A. Raphael & I. Alig).

6. Crosslinking Simulations in Polymer Design (R. Johnson).

Index.

Molecular Simulation Methods for Predicting

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    A Hardback by Vassilios Galiatsatos

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      Book details

      Publisher John Wiley & Sons Inc
      Published 18 February 2005
      ISBN-13 9780471464815
      978-0471464815
      ISBN-10 0471464813
      Also in:
      Chemistry

      Description

      Book Synopsis
      The book is arranged not by methods, as are most books on this topic, but by properties, making it a practical choice for researchers who want to predict specific polymer properties using computer simulation. Chapters cover real polymer systems, of use to students, scientists, and engineers experimenting in the field.

      Table of Contents
      Preface (V. Galiatsatos).

      1. Ab Initio Polymer Quantum Theory (B. Champagne).

      2. Quantum-Chemistry-Based Force Fields For Polymers (G. Smith & O. Borodin).

      3. Monte Carlo Simulations of Binary Polymer Liquids (M. Müller).

      4. Mesoscopic Simulations of Polymer Mixtures (O. Evers).

      5. Prediction of Mechanical Properties of Semicrystalline Polymers (A. Raphael & I. Alig).

      6. Crosslinking Simulations in Polymer Design (R. Johnson).

      Index.

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