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. A...
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| Format: | Article |
| Language: | English |
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Wiley
2019-01-01
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| Series: | International Journal of Polymer Science |
| Online Access: | http://dx.doi.org/10.1155/2019/2912417 |
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| _version_ | 1849684314273349632 |
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| author | Fabricio Machado |
| author_facet | Fabricio Machado |
| author_sort | Fabricio Machado |
| collection | DOAJ |
| 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 | Article |
| id | doaj-art-c1e2d99b18a545079a80a278bbc7d7e4 |
| institution | DOAJ |
| issn | 1687-9422 1687-9430 |
| language | English |
| publishDate | 2019-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | International Journal of Polymer Science |
| spelling | doaj-art-c1e2d99b18a545079a80a278bbc7d7e42025-08-20T03:23:30ZengWileyInternational Journal of Polymer Science1687-94221687-94302019-01-01201910.1155/2019/29124172912417Modeling of the Penultimate Unit Effect in Chain-Growth CopolymerizationsFabricio Machado0Instituto de Química, Universidade de Brasília, Campus Universitário Darcy Ribeiro, CEP: 70910-900 Brasília, DF, BrazilThe 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.http://dx.doi.org/10.1155/2019/2912417 |
| spellingShingle | Fabricio Machado Modeling of the Penultimate Unit Effect in Chain-Growth Copolymerizations International Journal of Polymer Science |
| title | 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_short | Modeling of the Penultimate Unit Effect in Chain-Growth Copolymerizations |
| title_sort | modeling of the penultimate unit effect in chain growth copolymerizations |
| url | http://dx.doi.org/10.1155/2019/2912417 |
| work_keys_str_mv | AT fabriciomachado modelingofthepenultimateuniteffectinchaingrowthcopolymerizations |