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Mathematical Modeling of Free Radical Solution Terpolymerization Reactions in a Batch and Continuous Flow Stirred Tank Reactors
Author(s) -
Luciani Carla V.,
Choi Kyu Yong
Publication year - 2021
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.202000094
Subject(s) - copolymer , maleic anhydride , monomer , chemistry , methyl methacrylate , polymer chemistry , radical polymerization , polymerization , molar mass distribution , styrene , thermodynamics , organic chemistry , polymer , physics
A mathematical model that describes a free radical solution terpolymerization is applied to styrene (St), methyl methacrylate (MMA), and maleic anhydride (MAh) polymerization system. This terpolymerization model allows for the use of either monofunctional or bifunctional peroxide initiators, and it is applied to batch and continuous reactions. The key model outputs are global monomer conversion, terpolymer composition, terpolymer average molecular weights, and terpolymer monomer sequence distributions. A few kinetic parameters are estimated such that global conversion is properly predicted by the model including initiator efficiency and two termination rate constants. Molecular weights are shown to be dominated by chain transfer reactions. Experimental trends of conversion, terpolymer molar masses (molecular weights), and composition are reasonably well predicted by the model.