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Modeling Multiradicals in Crosslinking MMA / EGDMA Bulk Copolymerization
Author(s) -
Lazzari Stefano,
Storti Giuseppe
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.201300122
Subject(s) - copolymer , ethylene glycol dimethacrylate , methyl methacrylate , polymer chemistry , gel point , materials science , diffusion , ethylene glycol , work (physics) , chemical engineering , polymer , chemistry , thermodynamics , organic chemistry , composite material , physics , methacrylic acid , engineering
In the present work, a kinetic model of crosslinking free‐radical copolymerization based on multidimensional population balances and accounting for multiradicals is developed. The model is applied to the simulation of bulk copolymerization of methyl‐methacrylate (MMA)/ethylene‐glycol‐dimethacrylate (EGDMA). A literature criterion proposed to elucidate the model type best suited for a given system (i.e., with or without MRs) is extended to the industrially relevant case of diffusion limited systems. Moreover, a master plot for the system under investigation is proposed: given the reaction recipe, the error on the gel point prediction employing the monoradical assumption is identified, thus allowing more conscious model selection.