© WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
September 07, 2010
POLYMER DESIGN: Kinetic Simulations of Atom Transfer Radical Polymerization (ATRP) in Light of Chain Length Dependent Termination
Geoffrey Johnston-Hall, Michael J. Monteiro*
Kinetic simulations using the composite kt model allows a better understanding of the effects of the persistent radical affecting ATRP or for that matter any activation-deactivation system. It also provides a better fit to experimental data in either bulk or solution conditions for ATRP polymerizations carried out at 110°C. The PRE controls the molecular weight distribution, exemplified by a linear increase in Mn with conversion and a low PDI.
Macromol. Theory Simul. DOI: 10.1002/mats.201000023
Other contributions to the article series on modeling for polymer design can be found here.