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Predicting the Limit of Control in the ATRP Process: Results from Kinetic Simulations

✍ Scribed by Helena Bergenudd; Mats Jonsson; Eva Malmström

Publisher
John Wiley and Sons
Year
2011
Tongue
English
Weight
602 KB
Volume
20
Category
Article
ISSN
1022-1344

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✦ Synopsis

Abstract

Kinetic simulations are reported, where the ATRP equilibrium constant K~ATRP~ is varied and the rates and degree of control in different ATRP systems are evaluated. The apparent rate constant k~app~ increases with increasing K~ATRP~, but a maximum is reached. The limit of control is passed before the maximum, i.e. when K~ATRP~ is increased further, apparent first‐order kinetics and well‐controlled molecular weights will no longer be obtained. The equilibrium constant at which the limit of control is reached varies linearly with the propagation rate constant. This enables the design of well controlled ATRP systems. The influence of the conversion and chain length dependence of the termination rate constant on the simulation results is discussed.

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