Mathematical Modeling of Free Radical Solution Terpolymerization Reactions in a Batch and Continuous Flow Stirred Tank Reactors

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...

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Bibliographic Details
Published inMacromolecular theory and simulations Vol. 30; no. 3
Main Authors Luciani, Carla V., Choi, Kyu Yong
Format Journal Article
LanguageEnglish
Published Weinheim Wiley Subscription Services, Inc 01.05.2021
Subjects
Chain transfer
Composition
Continuous flow
Continuously stirred tank reactors
Conversion
free radical polymerization
Free radicals
Initiators
kinetics
Maleic anhydride
Mathematical models
modeling
Molecular weight
Monomers
Parameter estimation
Peroxide
Polymethyl methacrylate
Rate constants
Styrene
Terpolymerization
Terpolymers
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Summary: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. A detailed mathematical model for free radical terpolymerization is derived and solved to calculate major process outputs including polymerization rate, copolymer molecular weight averages, and comonomer sequence length distributions in batch and continuous reactors. The model is used for both monofunctional and bifunctional peroxide initiators using the pseudokinetic parameters and rate equations for various polymeric radical species.
ISSN:1022-1344
1521-3919
DOI:10.1002/mats.202000094