Stochastic Modelling and Simulation of Free Radical Polymerization of Styrene in Microchannels using a Hybrid Gillespie Algorithm
Autor(a) principal: | |
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Data de Publicação: | 2023 |
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/15327 |
Resumo: | Most recently, the production of polystyrene by Free Radical Polymerization (FRP) via microchannels has been a subject of core interest due to the efficiency of a micro-or milli-reactor brings. In addition, especially in pilot experimentations, a micro or milli-reactor has been known widely to be efficient in monitoring the microstructural end-use features or properties of the polymer as the chain propagates and ultimately terminates. However, the limitations posed by using micro or milli-reactors in process intensification such as clogging of pores can be a bottleneck when tracking the common phenomena associated with FRP such as cage, gel, and glass effects. In this work, the simulation of the synthesis of polystyrene in FRP via microchannels is computed using a robust and time-efficient hybrid Gillespie Algorithm (GA) or Hybrid Stochastic Simulation Algorithm (HSSA). The obtained results of the end-use properties of polystyrene such as Monomer conversion, Polydispersity Index, Number-Average Molar Mass and Weight Average Molar Mass were compared to experimental data. The simulation results agree well with the experimental results reported in this work. Hence, stochastic simulations prove to be an effective tool in making decisions in the context of process intensification of chain growth polymerization reactions even at a large scale. |
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Stochastic Modelling and Simulation of Free Radical Polymerization of Styrene in Microchannels using a Hybrid Gillespie AlgorithmPolystyrene, Microchannels, Hybrid Stochastic Simulation Algorithm, Gillespie Algorithm, Free Radical Polymerization, Process Intensification.Most recently, the production of polystyrene by Free Radical Polymerization (FRP) via microchannels has been a subject of core interest due to the efficiency of a micro-or milli-reactor brings. In addition, especially in pilot experimentations, a micro or milli-reactor has been known widely to be efficient in monitoring the microstructural end-use features or properties of the polymer as the chain propagates and ultimately terminates. However, the limitations posed by using micro or milli-reactors in process intensification such as clogging of pores can be a bottleneck when tracking the common phenomena associated with FRP such as cage, gel, and glass effects. In this work, the simulation of the synthesis of polystyrene in FRP via microchannels is computed using a robust and time-efficient hybrid Gillespie Algorithm (GA) or Hybrid Stochastic Simulation Algorithm (HSSA). The obtained results of the end-use properties of polystyrene such as Monomer conversion, Polydispersity Index, Number-Average Molar Mass and Weight Average Molar Mass were compared to experimental data. The simulation results agree well with the experimental results reported in this work. Hence, stochastic simulations prove to be an effective tool in making decisions in the context of process intensification of chain growth polymerization reactions even at a large scale.Universidade Federal de Viçosa - UFV2023-02-13info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArtigo, Manuscrito, Eventosapplication/pdfhttps://periodicos.ufv.br/jcec/article/view/1532710.18540/jcecvl9iss1pp15327-01eThe Journal of Engineering and Exact Sciences; Vol. 9 No. 1 (2023); 15327-01eThe Journal of Engineering and Exact Sciences; Vol. 9 Núm. 1 (2023); 15327-01eThe Journal of Engineering and Exact Sciences; v. 9 n. 1 (2023); 15327-01e2527-1075reponame:The Journal of Engineering and Exact Sciencesinstname:Universidade Federal de Viçosa (UFV)instacron:UFVenghttps://periodicos.ufv.br/jcec/article/view/15327/7808Copyright (c) 2023 The Journal of Engineering and Exact Scienceshttps://creativecommons.org/licenses/by/4.0info:eu-repo/semantics/openAccessIwuchukwu, Edward UchechukwuVianna, Ardson dos Santos Junior2023-02-24T18:44:16Zoai:ojs.periodicos.ufv.br:article/15327Revistahttp://www.seer.ufv.br/seer/rbeq2/index.php/req2/oai2527-10752527-1075opendoar:2023-02-24T18:44:16The Journal of Engineering and Exact Sciences - Universidade Federal de Viçosa (UFV)false |
dc.title.none.fl_str_mv |
Stochastic Modelling and Simulation of Free Radical Polymerization of Styrene in Microchannels using a Hybrid Gillespie Algorithm |
title |
Stochastic Modelling and Simulation of Free Radical Polymerization of Styrene in Microchannels using a Hybrid Gillespie Algorithm |
spellingShingle |
Stochastic Modelling and Simulation of Free Radical Polymerization of Styrene in Microchannels using a Hybrid Gillespie Algorithm Iwuchukwu, Edward Uchechukwu Polystyrene, Microchannels, Hybrid Stochastic Simulation Algorithm, Gillespie Algorithm, Free Radical Polymerization, Process Intensification. |
title_short |
Stochastic Modelling and Simulation of Free Radical Polymerization of Styrene in Microchannels using a Hybrid Gillespie Algorithm |
title_full |
Stochastic Modelling and Simulation of Free Radical Polymerization of Styrene in Microchannels using a Hybrid Gillespie Algorithm |
title_fullStr |
Stochastic Modelling and Simulation of Free Radical Polymerization of Styrene in Microchannels using a Hybrid Gillespie Algorithm |
title_full_unstemmed |
Stochastic Modelling and Simulation of Free Radical Polymerization of Styrene in Microchannels using a Hybrid Gillespie Algorithm |
title_sort |
Stochastic Modelling and Simulation of Free Radical Polymerization of Styrene in Microchannels using a Hybrid Gillespie Algorithm |
author |
Iwuchukwu, Edward Uchechukwu |
author_facet |
Iwuchukwu, Edward Uchechukwu Vianna, Ardson dos Santos Junior |
author_role |
author |
author2 |
Vianna, Ardson dos Santos Junior |
author2_role |
author |
dc.contributor.author.fl_str_mv |
Iwuchukwu, Edward Uchechukwu Vianna, Ardson dos Santos Junior |
dc.subject.por.fl_str_mv |
Polystyrene, Microchannels, Hybrid Stochastic Simulation Algorithm, Gillespie Algorithm, Free Radical Polymerization, Process Intensification. |
topic |
Polystyrene, Microchannels, Hybrid Stochastic Simulation Algorithm, Gillespie Algorithm, Free Radical Polymerization, Process Intensification. |
description |
Most recently, the production of polystyrene by Free Radical Polymerization (FRP) via microchannels has been a subject of core interest due to the efficiency of a micro-or milli-reactor brings. In addition, especially in pilot experimentations, a micro or milli-reactor has been known widely to be efficient in monitoring the microstructural end-use features or properties of the polymer as the chain propagates and ultimately terminates. However, the limitations posed by using micro or milli-reactors in process intensification such as clogging of pores can be a bottleneck when tracking the common phenomena associated with FRP such as cage, gel, and glass effects. In this work, the simulation of the synthesis of polystyrene in FRP via microchannels is computed using a robust and time-efficient hybrid Gillespie Algorithm (GA) or Hybrid Stochastic Simulation Algorithm (HSSA). The obtained results of the end-use properties of polystyrene such as Monomer conversion, Polydispersity Index, Number-Average Molar Mass and Weight Average Molar Mass were compared to experimental data. The simulation results agree well with the experimental results reported in this work. Hence, stochastic simulations prove to be an effective tool in making decisions in the context of process intensification of chain growth polymerization reactions even at a large scale. |
publishDate |
2023 |
dc.date.none.fl_str_mv |
2023-02-13 |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Artigo, Manuscrito, Eventos |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
https://periodicos.ufv.br/jcec/article/view/15327 10.18540/jcecvl9iss1pp15327-01e |
url |
https://periodicos.ufv.br/jcec/article/view/15327 |
identifier_str_mv |
10.18540/jcecvl9iss1pp15327-01e |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
https://periodicos.ufv.br/jcec/article/view/15327/7808 |
dc.rights.driver.fl_str_mv |
Copyright (c) 2023 The Journal of Engineering and Exact Sciences https://creativecommons.org/licenses/by/4.0 info:eu-repo/semantics/openAccess |
rights_invalid_str_mv |
Copyright (c) 2023 The Journal of Engineering and Exact Sciences https://creativecommons.org/licenses/by/4.0 |
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. 9 No. 1 (2023); 15327-01e The Journal of Engineering and Exact Sciences; Vol. 9 Núm. 1 (2023); 15327-01e The Journal of Engineering and Exact Sciences; v. 9 n. 1 (2023); 15327-01e 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_ |
1808845239743414272 |