Molecular Simulation Methods for Predicting Polymer Properties

Author:   Vassilios Galiatsatos (Equistar Chemicals, L.P.)
Publisher:   John Wiley & Sons Inc
ISBN:  

9780471464815


Pages:   320
Publication Date:   18 February 2005
Format:   Hardback
Availability:   Out of stock   Availability explained
The supplier is temporarily out of stock of this item. It will be ordered for you on backorder and shipped when it becomes available.

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Molecular Simulation Methods for Predicting Polymer Properties


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Overview

Among the thousands of synthesized polymers, new polymeric substances and materials with new, often unusual, properties often arise. Consequently, this presents a problem in determining the physical properties of polymers, and thus makes it difficult to ascertain how to synthesize polymers with desired properties. This book discusses what molecular modelling can do to predict the properties of realistic polymer systems. Organized by property, each chapter will address the methods one may use to study the particular system. * Focuses on polymer properties rather than methods, making it more accessible to the average scientist/engineer * All important polymers will be covered, such as amorphous polymers, semicrystalline polymers, elastomers, emulsions, polymer interfaces and surfaces * Chapters contributed by experts in the field * Discusses current commercial software used in molecular simulation

Full Product Details

Author:   Vassilios Galiatsatos (Equistar Chemicals, L.P.)
Publisher:   John Wiley & Sons Inc
Imprint:   Wiley-Interscience
Dimensions:   Width: 16.30cm , Height: 2.00cm , Length: 23.90cm
Weight:   0.578kg
ISBN:  

9780471464815


ISBN 10:   0471464813
Pages:   320
Publication Date:   18 February 2005
Audience:   Professional and scholarly ,  Professional & Vocational
Format:   Hardback
Publisher's Status:   Active
Availability:   Out of stock   Availability explained
The supplier is temporarily out of stock of this item. It will be ordered for you on backorder and shipped when it becomes available.

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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Author Information

VASSILIOS GALIATSATOS, PhD, is a scientist working in polyolefin product development at Equistar Chemicals, LP. He has nearly two decades of experience in the polymer field, is a Fellow of the Society of Plastics Engineers, and serves on the Board of Directors of the Polymer Networks Group, an IUPAC-sponsored group devoted to the research of elastomers and gels.

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