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

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 predicti...

Full description

Saved in:
Bibliographic Details
Published in:Macromolecular theory and simulations 2008-07, Vol.17 (4-5), p.147-162
Main Authors: Stubbs, Jeffrey, Carrier, Robert, Sundberg, Donald C.
Format: Article
Language:English
Subjects:
Applied sciences
Exact sciences and technology
kinetics (polym.)
latex
Monte Carlo simulation
morphology
Organic polymers
Physicochemistry of polymers
Polymerization
Preparation, kinetics, thermodynamics, mechanism and catalysts
simulations
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary: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.
ISSN:1022-1344
1521-3919
DOI:10.1002/mats.200700061