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Modeling of Network Formation in Reversible Addition‐Fragmentation Transfer (RAFT) Copolymerization of Vinyl/Divinyl Monomers Using a Multifunctional Polymer Molecule Approach
Author(s) -
HernándezOrtiz Julio César,
VivaldoLima Eduardo,
Dubé Marc Arnold,
Penlidis Alexander
Publication year - 2014
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.201300144
Subject(s) - raft , copolymer , monomer , polymer , chain transfer , polymer chemistry , molecule , kinetics , materials science , chemistry , radical polymerization , organic chemistry , physics , quantum mechanics
A mathematical model for the kinetics of copolymerization with crosslinking of vinyl/divinyl monomers in the presence of RAFT controllers is developed. A reaction scheme considering multifunctional polymer molecules, which results in a multidimensional problem, is proposed. Molecular weight development during the pre‐gelation period was calculated using the method of moments. Flory–Stockmayer's theory is used for the post‐gelation period. The case of RAFT homopolymerization is also studied, as an example of model reduction, with identical results as those obtained with an existing model based on a simplifying premise. Good agreement between predicted profiles, our own experimental data, and data from other groups is obtained in most of the analyzed cases despite the occasional use of certain simplifying assumptions.