2/21/2012

Molecular Modeling of Polymer Structures and Properties Review

Molecular Modeling of Polymer Structures and Properties
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Molecular modeling is a topic every scientist is talking about. At least every physicist and chemist. When I started my diploma work doing molecular simulations of polymers, Gelins book was the first i had to read. and indeed it gives a good overview with very many references to standard literature. The book is diveded into twelve chapters starting with how polymer chains are built, how to consider the detailed interaction mechanisms and then going on to how specific polymeric properties, e.g. mechanical behaviour, scattering, conductivity ... can be and are simulated. The book suits best for people who want to get an introduction to the subject. For those already familiar with the principles of molecular modeling i'd suggest the book of Allen and Tildesley on "Computer Simulation of Liquids".

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