Scope for accessing the chain length dependence of the termination rate coefficient for disparate length radicals in acrylate free radical polymerization

Lovestead, T. M., Davis, T. P., Stenzel, M. H., & Barner-Kowollik, C. (2007) Scope for accessing the chain length dependence of the termination rate coefficient for disparate length radicals in acrylate free radical polymerization. Macromolecular Symposia, 248.

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Abstract

A method that utilizes reversible addition fragmentation chain transfer (RAFT) chemistry is evaluated on a theoretical basis to deduce the termination rate coefficient for disparate length radicals kts,l in acrylate free radical polymerization, where sand / represent the arbitrary yet disparate chain lengths from either a "short" or "long" RAFT distribution. The method is based on a previously developed method for elucidation of kts,l for the model monomer system styrene. The method was expanded to account for intramolecular chain transfer (i.e., the formation of mid-chain radicals via backbiting) and the free radical polymerization kinetic parameters of methyl acrylate. Simulations show that the method's predictive capability is sensitive to the polymerization rate's dependence on monomer concentration, i.e., the virtual monomer reaction order, which varies with the termination rate coefficient's value and chain length dependence. However, attaining the virtual monomer reaction order is a facile process and once known the method developed here that accounts for mid-chain radicals and virtual monomer reaction orders other than one seems robust enough to elucidate the chain length dependence of kts,l' for the more complex acrylate free radical polymerization. Copyright © 2007 WILEY-VCH Verlag GmbH & Co. KGaA.

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ID Code: 99155
Item Type: Journal Article
Refereed: Yes
Additional Information: Cited By :7
Export Date: 5 September 2016
CODEN: MSYME
Correspondence Address: Barner-Kowollik, C.; Centre for Advanced Macromolecular Design, School of Chemical Sciences and Engineering, University of New South Wales, Sydney, NSW 2052, Australia; email: camd@unsw.edu.au
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Keywords: Backbiting, Chain length dependent termination (CLDT), Kinetics, Reversible addition fragmentation chain transfer (RAFT), Simulations, Addition reactions, Chain length, Molecular modeling, Reaction kinetics, Styrene, Free radical polymerization
DOI: 10.1002/masy.200750209
ISSN: 10221360
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > Institutes > Institute for Future Environments
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Deposited On: 22 Sep 2016 04:50
Last Modified: 13 Oct 2016 01:58

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