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Modeling of Network Formation in Nitroxide‐Mediated Radical Copolymerization of Vinyl/Divinyl Monomers Using a Multifunctional Polymer Molecule Approach
Author(s) -
HernándezOrtiz Julio C.,
VivaldoLima Eduardo,
Penlidis Alexander
Publication year - 2012
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.201100091
Subject(s) - monomer , copolymer , polymer , polymer chemistry , nitroxide mediated radical polymerization , molecule , radical , kinetics , homogeneity (statistics) , materials science , chemistry , radical polymerization , organic chemistry , physics , statistics , mathematics , quantum mechanics
A mathematical model for the kinetics of copolymerization with crosslinking of vinyl/divinyl monomers in the presence of stable nitroxyl radicals is presented. A reaction scheme considering multifunctional polymer molecules is proposed. The Flory‐Stockmayer theory is used for the post‐gelation period. Average crosslink and cyclization densities are calculated using two different approaches. Good agreement between predicted profiles and experimental data from our and other groups is observed in all cases. Overall monomer concentration, controller/initiator ratio, and crosslinker initial concentration are found to be the governing factors for the development of average crosslink and cyclization densities and therefore for the homogeneity of the resulting polymer network.