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Kinetic Model of Maleic Anhydride Grafting onto Poly(Propylene Carbonate) during Melt Compounding
Author(s) -
Calderón Bárbara A.,
Bauer Michel E.,
Thompson Conor W.,
Sobkowicz Margaret J.
Publication year - 2019
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.201900038
Subject(s) - peroxide , maleic anhydride , benzoyl peroxide , propylene carbonate , grafting , chemistry , compounding , polymer chemistry , decomposition , reactivity (psychology) , chemical engineering , copolymer , materials science , organic chemistry , polymer , polymerization , composite material , medicine , alternative medicine , electrode , pathology , engineering , electrochemistry
The functionalization of poly(propylene carbonate) (PPC) by means of both free radical and esterification grafting of Maleic anhydride (MAH) aided by a peroxide is simulated by means of a kinetic model. The amount of MAH grafted ( A g ) measured from batch mixer trials shows good agreement with the simulated results. Sensitivity analysis of the different rate constants shows that peroxide decomposition is the factor that drives the reaction, meaning that the choice of initiator affects greatly the reaction conversion. The next most dominant reaction is the chain ends esterification. There is a competing effect between chain initiation and side reactions, however, chain initiation is slightly more dominant than the latter. It is also found that higher content of peroxide induces higher A g . The amount of MAH has a lower impact on A g at low peroxide concentration; however, it becomes more influential in the presence of more peroxide.