Modeling Insights on the TEMPO Mediated Radical Polymerization of Styrene

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Despite a great deal of research on nitroxide mediated radical polymerization (NMRP), its kinetic mechanism is not fully known yet. The focus of this work was to contribute further to the understanding of the kinetics of NMRP processes through refinements of a comprehensive mathematical model developed by our group for the bimolecular system. This work considered important secondary reactions that can occur during the NMRP process. It also analyzed important kinetic aspects via a sensitivity study on some key parameters of the system. It was observed that an irreversible reaction between the TEMPO controller and the chemical initiator is very important and must be considered in the NMRP mechanism, in order to be able to describe properly both conversion and average molecular weight data.489681687Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)CONACYT - Mexico [CIAM U40259-Y, 101682]NSERC/CROCanada Research Chair (CRC) Program - CanadaFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)CONACYT - Mexico [CIAM U40259-Y, 101682