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Modeling of Network Formation in the Atom Transfer Radical Co‐Polymerization (ATRP) of Vinyl/Divinyl Monomers Using a Multifunctional Polymer Molecule Approach
Author(s) -
HernándezOrtiz Julio César,
VivaldoLima Eduardo,
Dubé Marc A.,
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.201400015
Subject(s) - copolymer , monomer , ethylene glycol , polymer chemistry , atom transfer radical polymerization , polymer , materials science , molecule , acrylate , kinetics , radical polymerization , chemistry , organic chemistry , physics , quantum mechanics , composite material
A mathematical model for the kinetics of copolymerization with crosslinking of vinyl/divinyl monomers in the presence of ARGET ATRP controllers is developed. A reaction scheme considering multifunctional polymer molecules, which results in a tridimensional problem, is proposed. Molecular weight development during the pre‐gelation period is calculated using the method of moments. Flory‐Stockmayer's theory is used for the post‐gelation period. The ATRP solution copolymerization of methyl acrylate (MA) and ethylene glycol diacrylate (EGDA) is used as a case study and test of the model. Good agreement between predicted profiles and experimental data from the literature is obtained.