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Monte Carlo Simulation of Controlled/Living Radical Polymerization in Emulsified Systems
Author(s) -
Tobita Hidetaka,
Yanase Fumihiko
Publication year - 2007
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.200700007
Subject(s) - polymerization , chain transfer , miniemulsion , radical polymerization , radical , reversible addition−fragmentation chain transfer polymerization , chemistry , monte carlo method , photochemistry , polymer chemistry , nitroxide mediated radical polymerization , chemical physics , organic chemistry , polymer , statistics , mathematics
A new MC simulation method is proposed for the controlled/living radical polymerization in a dispersed medium, assuming an ideal miniemulsion system. This tool is used to consider the effects of particle size on the polymerization rates and the molecular weight distributions. For NMP, the polymerization kinetics are basically governed by two conflicting factors, (i) the confined space effect that promotes the coupling reaction between a radical and a trapping agent and (ii) the isolation effect of radicals into different particles that suppresses the overall frequency of bimolecular termination. For RAFT polymerization, a significant rate enhancement by reducing the particle size could be observed only for the systems with fast fragmentation of adduct radicals.