Computational Methods for Modeling Free-Radical Polymerization

Coote, Michelle; Lin, Ching-Yeh

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Computational Methods for Modeling Free-Radical Polymerization

Date

2011

Authors

Coote, Michelle

Lin, Ching-Yeh

Publisher

John Wiley & Sons Inc

Abstract

In this chapter electronic structure computational approaches can be used to predict the kinetics of free-radical polymerization reactions and hence the properties of complex polymers. Much effort is spent is detailing how free-energy changes for reaction