STOCHASTIC MODELING OF LIVING/CONTROLLED COPOLYMERIZATIONS IN TUBULAR REACTORS WITH LATERAL FEED
Autor(a) principal: | |
---|---|
Data de Publicação: | 2020 |
Outros Autores: | , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | The Journal of Engineering and Exact Sciences |
Texto Completo: | https://periodicos.ufv.br/jcec/article/view/10453 |
Resumo: | It is known the controlled microstructure polymers production increase in continuous reactors due to all industrial advantages that this type of operation presents. In this paper, the synthesis via Nitroxide-Mediated Polymerization (NMP) of copolymers based on styrene and methyl methacrylate accomplished in a tubular reactor with lateral feed is modeled by Kinect Monte Carlo (kMC). This reactional configuration aims the copolymers production with originals microstructure and applications. There were obtained all the microstructural properties distributions of the synthesized material at interest and the conversion values, Polydispersity Index (PDI) and chains average molar mass are compared to experimental data. The conversion presented minimum and maximum deviation in the module of 0.61 and -21.85%, respectively. For the PDI and the molar mass, there were obtained minimum and maximum errors of 0.72%, 1.50%, -23.10% and 1.77%, respectively. It was verified that the formed product differed from the expected one in experiments. There were found copolymers of polystyrene-b-poly(methyl styrene-rand-methacrylate), not being found any region that presented composition gradient through the chains, differently than it had been foreseen in the experimental synthesis, results that show the relevance of a stochastic simulation in the process to make decisions in the context of polymer reaction engineering. |
id |
UFV-6_cc80e42b696637cf91e7afbd98110a34 |
---|---|
oai_identifier_str |
oai:ojs.periodicos.ufv.br:article/10453 |
network_acronym_str |
UFV-6 |
network_name_str |
The Journal of Engineering and Exact Sciences |
repository_id_str |
|
spelling |
STOCHASTIC MODELING OF LIVING/CONTROLLED COPOLYMERIZATIONS IN TUBULAR REACTORS WITH LATERAL FEEDPolymerizationMonte CarloMicrostructureStochasticIt is known the controlled microstructure polymers production increase in continuous reactors due to all industrial advantages that this type of operation presents. In this paper, the synthesis via Nitroxide-Mediated Polymerization (NMP) of copolymers based on styrene and methyl methacrylate accomplished in a tubular reactor with lateral feed is modeled by Kinect Monte Carlo (kMC). This reactional configuration aims the copolymers production with originals microstructure and applications. There were obtained all the microstructural properties distributions of the synthesized material at interest and the conversion values, Polydispersity Index (PDI) and chains average molar mass are compared to experimental data. The conversion presented minimum and maximum deviation in the module of 0.61 and -21.85%, respectively. For the PDI and the molar mass, there were obtained minimum and maximum errors of 0.72%, 1.50%, -23.10% and 1.77%, respectively. It was verified that the formed product differed from the expected one in experiments. There were found copolymers of polystyrene-b-poly(methyl styrene-rand-methacrylate), not being found any region that presented composition gradient through the chains, differently than it had been foreseen in the experimental synthesis, results that show the relevance of a stochastic simulation in the process to make decisions in the context of polymer reaction engineering.Universidade Federal de Viçosa - UFV2020-06-17info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttps://periodicos.ufv.br/jcec/article/view/1045310.18540/jcecvl6iss2pp0129-0138The Journal of Engineering and Exact Sciences; Vol. 6 No. 2 (2020); 0129-0138The Journal of Engineering and Exact Sciences; Vol. 6 Núm. 2 (2020); 0129-0138The Journal of Engineering and Exact Sciences; v. 6 n. 2 (2020); 0129-01382527-1075reponame:The Journal of Engineering and Exact Sciencesinstname:Universidade Federal de Viçosa (UFV)instacron:UFVenghttps://periodicos.ufv.br/jcec/article/view/10453/5693Copyright (c) 2020 The Journal of Engineering and Exact Sciencesinfo:eu-repo/semantics/openAccessCarvalho, Matheus Dias de Lemos, Tiago Silva Miranda Bellido, Jorge David Alguiar Siqueira, Antonio Marcos de Oliveira2021-02-23T20:11:24Zoai:ojs.periodicos.ufv.br:article/10453Revistahttp://www.seer.ufv.br/seer/rbeq2/index.php/req2/oai2527-10752527-1075opendoar:2021-02-23T20:11:24The Journal of Engineering and Exact Sciences - Universidade Federal de Viçosa (UFV)false |
dc.title.none.fl_str_mv |
STOCHASTIC MODELING OF LIVING/CONTROLLED COPOLYMERIZATIONS IN TUBULAR REACTORS WITH LATERAL FEED |
title |
STOCHASTIC MODELING OF LIVING/CONTROLLED COPOLYMERIZATIONS IN TUBULAR REACTORS WITH LATERAL FEED |
spellingShingle |
STOCHASTIC MODELING OF LIVING/CONTROLLED COPOLYMERIZATIONS IN TUBULAR REACTORS WITH LATERAL FEED Carvalho, Matheus Dias de Polymerization Monte Carlo Microstructure Stochastic |
title_short |
STOCHASTIC MODELING OF LIVING/CONTROLLED COPOLYMERIZATIONS IN TUBULAR REACTORS WITH LATERAL FEED |
title_full |
STOCHASTIC MODELING OF LIVING/CONTROLLED COPOLYMERIZATIONS IN TUBULAR REACTORS WITH LATERAL FEED |
title_fullStr |
STOCHASTIC MODELING OF LIVING/CONTROLLED COPOLYMERIZATIONS IN TUBULAR REACTORS WITH LATERAL FEED |
title_full_unstemmed |
STOCHASTIC MODELING OF LIVING/CONTROLLED COPOLYMERIZATIONS IN TUBULAR REACTORS WITH LATERAL FEED |
title_sort |
STOCHASTIC MODELING OF LIVING/CONTROLLED COPOLYMERIZATIONS IN TUBULAR REACTORS WITH LATERAL FEED |
author |
Carvalho, Matheus Dias de |
author_facet |
Carvalho, Matheus Dias de Lemos, Tiago Silva Miranda Bellido, Jorge David Alguiar Siqueira, Antonio Marcos de Oliveira |
author_role |
author |
author2 |
Lemos, Tiago Silva Miranda Bellido, Jorge David Alguiar Siqueira, Antonio Marcos de Oliveira |
author2_role |
author author author |
dc.contributor.author.fl_str_mv |
Carvalho, Matheus Dias de Lemos, Tiago Silva Miranda Bellido, Jorge David Alguiar Siqueira, Antonio Marcos de Oliveira |
dc.subject.por.fl_str_mv |
Polymerization Monte Carlo Microstructure Stochastic |
topic |
Polymerization Monte Carlo Microstructure Stochastic |
description |
It is known the controlled microstructure polymers production increase in continuous reactors due to all industrial advantages that this type of operation presents. In this paper, the synthesis via Nitroxide-Mediated Polymerization (NMP) of copolymers based on styrene and methyl methacrylate accomplished in a tubular reactor with lateral feed is modeled by Kinect Monte Carlo (kMC). This reactional configuration aims the copolymers production with originals microstructure and applications. There were obtained all the microstructural properties distributions of the synthesized material at interest and the conversion values, Polydispersity Index (PDI) and chains average molar mass are compared to experimental data. The conversion presented minimum and maximum deviation in the module of 0.61 and -21.85%, respectively. For the PDI and the molar mass, there were obtained minimum and maximum errors of 0.72%, 1.50%, -23.10% and 1.77%, respectively. It was verified that the formed product differed from the expected one in experiments. There were found copolymers of polystyrene-b-poly(methyl styrene-rand-methacrylate), not being found any region that presented composition gradient through the chains, differently than it had been foreseen in the experimental synthesis, results that show the relevance of a stochastic simulation in the process to make decisions in the context of polymer reaction engineering. |
publishDate |
2020 |
dc.date.none.fl_str_mv |
2020-06-17 |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
https://periodicos.ufv.br/jcec/article/view/10453 10.18540/jcecvl6iss2pp0129-0138 |
url |
https://periodicos.ufv.br/jcec/article/view/10453 |
identifier_str_mv |
10.18540/jcecvl6iss2pp0129-0138 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
https://periodicos.ufv.br/jcec/article/view/10453/5693 |
dc.rights.driver.fl_str_mv |
Copyright (c) 2020 The Journal of Engineering and Exact Sciences info:eu-repo/semantics/openAccess |
rights_invalid_str_mv |
Copyright (c) 2020 The Journal of Engineering and Exact Sciences |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
application/pdf |
dc.publisher.none.fl_str_mv |
Universidade Federal de Viçosa - UFV |
publisher.none.fl_str_mv |
Universidade Federal de Viçosa - UFV |
dc.source.none.fl_str_mv |
The Journal of Engineering and Exact Sciences; Vol. 6 No. 2 (2020); 0129-0138 The Journal of Engineering and Exact Sciences; Vol. 6 Núm. 2 (2020); 0129-0138 The Journal of Engineering and Exact Sciences; v. 6 n. 2 (2020); 0129-0138 2527-1075 reponame:The Journal of Engineering and Exact Sciences instname:Universidade Federal de Viçosa (UFV) instacron:UFV |
instname_str |
Universidade Federal de Viçosa (UFV) |
instacron_str |
UFV |
institution |
UFV |
reponame_str |
The Journal of Engineering and Exact Sciences |
collection |
The Journal of Engineering and Exact Sciences |
repository.name.fl_str_mv |
The Journal of Engineering and Exact Sciences - Universidade Federal de Viçosa (UFV) |
repository.mail.fl_str_mv |
|
_version_ |
1808845245315547136 |