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Modeling of the penultimate unit effect in chain growth copolymerizations

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....

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Main Author: Silva, Fabricio Machado
Format: Artigo
Language: Inglês
Published: Hindawi 2020
Subjects:
Copolímeros
Polimerização
Monte Carlo, Método de
Online Access: https://repositorio.unb.br/handle/10482/37625
https://doi.org/10.1155/2019/2912417
http://orcid.org/0000-0002-3041-1906
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spelling ir-10482-376252020-05-07T14:09:19Z Modeling of the penultimate unit effect in chain growth copolymerizations Silva, Fabricio Machado Copolímeros Polimerização Monte Carlo, Método de 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. 2020-05-06T12:01:20Z 2020-05-06T12:01:20Z 2019 Artigo 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. https://repositorio.unb.br/handle/10482/37625 https://doi.org/10.1155/2019/2912417 http://orcid.org/0000-0002-3041-1906 Inglês Acesso Aberto 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. application/pdf Hindawi
institution REPOSITORIO UNB
collection REPOSITORIO UNB
language Inglês
topic Copolímeros
Polimerização
Monte Carlo, Método de
spellingShingle Copolímeros
Polimerização
Monte Carlo, Método de
Silva, Fabricio Machado
Modeling of the penultimate unit effect in chain growth copolymerizations
description 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.
format Artigo
author Silva, Fabricio Machado
author_sort Silva, Fabricio Machado
title Modeling of the penultimate unit effect in chain growth copolymerizations
title_short Modeling of the penultimate unit effect in chain growth copolymerizations
title_full Modeling of the penultimate unit effect in chain growth copolymerizations
title_fullStr Modeling of the penultimate unit effect in chain growth copolymerizations
title_full_unstemmed Modeling of the penultimate unit effect in chain growth copolymerizations
title_sort modeling of the penultimate unit effect in chain growth copolymerizations
publisher Hindawi
publishDate 2020
url https://repositorio.unb.br/handle/10482/37625
https://doi.org/10.1155/2019/2912417
http://orcid.org/0000-0002-3041-1906
_version_ 1672205875596492800
score 13.657419

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