Título:	Modeling of the penultimate unit effect in chain growth copolymerizations
Autor(es):	Silva, Fabricio Machado
ORCID:	http://orcid.org/0000-0002-3041-1906
Assunto:	Copolímeros Polimerização Monte Carlo, Método de
Data de publicação:	2019
Editora:	Hindawi
Referência:	MACHADO, Fabricio. Modeling of the penultimate unit effect in chain growth copolymerizations. International Journal of Polymer Science, v. 2019, Article ID 2912417, p. 1-12, 2019. DOI: https://doi.org/10.1155/2019/2912417. Disponível em: https://www.hindawi.com/journals/ijps/2019/2912417/. Acesso em: 06 maio 2020.
Abstract:	The present work addresses the modeling and simulation of the addition of copolymerizations of styrene and methyl methacrylate in batch mode, and the formation of tailored vinyl acetate/acrylic acid copolymers is evaluated through stochastic optimization procedures based on the Monte Carlo method. A kinetic model of the free-radical reaction was proposed in order to predict the behavior of the reaction system taking into consideration the presence of the penultimate unit effect. The profiles of conversion and copolymer composition were also evaluated considering the effect of the medium viscosity (kinetic phenomena related to gel and glass effects) on the reaction performance. It was shown that the proposed model for chain-growth copolymerization is able to describe strong nonlinear behaviors such as autoacceleration of the polymerization and drift of copolymer composition. It was also shown that copolymers with homogeneous composition can be successfully synthesized through manipulation of the monomer feed flow rate based on a stochastic optimization procedure.
Unidade Acadêmica:	Instituto de Química (IQ)
Licença:	Copyright © 2019 Fabricio Machado. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
DOI:	https://doi.org/10.1155/2019/2912417
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