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Ab initio kinetic modelling in radical polymerization: a paradigm shift in reaction kinetic analysis

Date

Authors

Coote, Michelle

Barner-Kowollik, Christopher

Publisher

CSIRO Publishing

Abstract

We describe a new rationale to kinetic modelling in which adjustable parameters are avoided through the use of quantum chemistry. This new approach reverses the standard modelling approach in which, having first assumed a kinetic model, it is then fitted

Keywords

Keywords: Composition; Molecular weight distribution; Quantum theory; Reaction kinetics; Kinetic modeling; Radical polymer fields; Radical polymerization; RAFT polymerization; Free radical polymerization

URI

http://hdl.handle.net/1885/18876

Collections

ANU Research Publications

Source

Australian Journal of Chemistry

Type

Journal article

DOI

10.1071/CH06194

Restricted until

2037-12-31

Downloads

File

Description

01_Coote_Ab_initio_kinetic_modelling_in_2006.pdf (180.14 KB)