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Monte Carlo Simulation of Emulsion Polymerization Kinetics and the Evolution of Latex Particle Morphology and Polymer Chain Architecture

✍ Scribed by Jeffrey Stubbs; Robert Carrier; Donald C. Sundberg

Publisher
John Wiley and Sons
Year
2008
Tongue
English
Weight
945 KB
Volume
17
Category
Article
ISSN
1022-1344

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✦ Synopsis

Abstract

Monte Carlo methods were applied to the reaction kinetics and polymer diffusion at play during the dynamics of creating structured latex particles. Reaction kinetic events in both the water phase and the particles are combined with diffusion of polymer radicals in the particles to allow the prediction of the overall polymerization kinetics, including the Trommsdorf gel effect, chain transfer reactions to monomer, chain transfer agents (e.g., thiols) and polymer chains, and chain length dependent termination reactions. This allowed the calculation of latex particle morphology, as well as the polymer molecular weight, gel content and graft level, when applicable. A number of examples are used to provide experimental data with which to compare the Monte Carlo predictions.

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