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Full Product Details

Author:   Michael Kotelyanskii ,  Doros N. Theodorou
Publisher:   Taylor & Francis Inc
Imprint:   CRC Press Inc
Dimensions:   Width: 17.00cm , Height: 3.30cm , Length: 24.50cm
Weight:   0.929kg
ISBN:  

9780824702472

ISBN 10:   0824702476
Pages:   622
Publication Date:   15 March 2004
Audience:   Professional and scholarly ,  Professional & Vocational
Format:   Hardback
Publisher's Status:   Active
Availability:   In Print  
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Table of Contents

1. Background I: Calculating Single-Chain Properties 2. Rotational Isomeric State (RIS) Calculations, with an Illustrative Application to Head-to-Head, Tail-to-Tail Polypropylene 3. Single Chain in Solution II: Lattice-Chain Monte Carlo Simulations 4. Polymer Models on the Lattice 5. Simulations on the Completely Occupied Lattice III: Molecular Dynamics 6. Molecular Dynamics Simulations of Polymers IV: Off-Lattice Monte Carlo Methods 7. Configurational Bias Techniques for Simulation of Complex Fluids V: Charged Polymer Systems 8. Molecular Simulations of Charged Polymers VI: Calculating Chemical Potential and Free-Energy, Phase Equilibria 9. Gibbs Ensemble and Histogram Reweighting Grand Canonical Monte Carlo Methods 10. Gibbs Ensemble Molecular Dynamics VII: Polymer Crystals 11. Modeling of Polymer Crystals VIII: Atomistic Simulations of Amorphous Polymers 12. Plastic Deformation of Bisphenol-A-Polycarbonate: Applying an Atomistic-Continuum Model 13. Polymer Melt Dynamics 14. Sorption and Diffusion of Small Molecules Using Transition-State Theory IX: Bridging Length- and Time-Scales 15. Coarse-Graining Techniques 16. CONNFFESSIT: Simulating Polymer Flow 17. Simulation of Polymers by Dissipative Particle Dynamics 18. Dynamic Mean-Field DFT Approach for Morphology Development

Reviews

"""Chapters have been written by experts in theses areas and at an introductory level, with samples of code and references to reviews and current literature. [U]seful to anyone who needs to understand structure-property relationships in polymer systems."" - IEEE Electrical Insulation Magazine, Vol. 21, No. 3, May/June 2005 ""[This book] is a high quality concept book that can be used as a textbook for students and researchers interested in theory and computer simulation of polymers. The editors invited the leading exprets in their fields . I highly recommend this book to all readers interested in computer simulations of polymers."" - Polymer News"

Chapters have been written by experts in theses areas and at an introductory level, with samples of code and references to reviews and current literature. [U]seful to anyone who needs to understand structure-property relationships in polymer systems. - IEEE Electrical Insulation Magazine, Vol. 21, No. 3, May/June 2005 [This book] is a high quality concept book that can be used as a textbook for students and researchers interested in theory and computer simulation of polymers. The editors invited the leading exprets in their fields . I highly recommend this book to all readers interested in computer simulations of polymers. - Polymer News

Author Information

Kotelyanskii, Michael; Theodorou, Doros N.

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