A Novel Method for Dynamic Molecular Weight Distribution Determination in Organometallic Catalyzed Olefin Polymerizations

In this study, a mathematical model for the time evolution of molecular weight distribution (MWD) was developed. This temporal model is based on the well-known Ziegler–Natta polymerization mechanism and reaction kinetics by the parametric solving of related differential equations. However, due to th...

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Autores: Shiri, Masoud, Parvazinia, Mahmoud, Yousefi, Ali Akbar, Bahri-Laleh, Naeimeh, Poater Teixidor, Albert
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2022
País:España
Institución:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
Repositorio:Recercat. Dipósit de la Recerca de Catalunya
OAI Identifier:oai:recercat.cat:10256/21862
Acceso en línea:http://hdl.handle.net/10256/21862
Access Level:acceso abierto
Palabra clave:Polimerització
Polymerization
Poliolefines
Polyolefins
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spelling A Novel Method for Dynamic Molecular Weight Distribution Determination in Organometallic Catalyzed Olefin PolymerizationsShiri, MasoudParvazinia, MahmoudYousefi, Ali AkbarBahri-Laleh, NaeimehPoater Teixidor, AlbertPolimeritzacióPolymerizationPoliolefinesPolyolefinsIn this study, a mathematical model for the time evolution of molecular weight distribution (MWD) was developed. This temporal model is based on the well-known Ziegler–Natta polymerization mechanism and reaction kinetics by the parametric solving of related differential equations. However, due to the generality of the reactions involved, the model can be extended to the other type of catalysts, such as metallocenes, Phillips, etc. The superiority of this model lies in providing the possibility of a more precise prediction over the active sites and kinetic parameters using a simple mathematical equation, which leads to improved reactor design in large-scale production. The model uses a function to develop a methodology for MWD calculations. In this way, the transient response is limited to the first few minutes of the reaction; however, it is important as it demonstrates the establishment of the final MWD. According to the results, almost for practical conditions with negligible transfer resistances, the time dependency of the MWD has a transient interval, depending on the kinetic constants of polymerization reactions. Increasing the time to infinity results in an increase in MW and a widening in MWD, which confirms the experimental plots well. In short, the main advantage of our proposed model over the previous ones is its ability to predict the MWD even before the completion of the polymerization reaction. The results of the present model match well with those of the well-known Schulz–Flory distribution, which only predicts the final molecular weight distribution, thus confirming that the model is reliable and generalizableSpanish MINECO for project ref. PID2021-127423NB-I00MDPI (Multidisciplinary Digital Publishing Institute)Agencia Estatal de Investigación2022info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionpeer-reviewedapplication/pdfhttp://hdl.handle.net/10256/21862http://hdl.handle.net/10256/21862Catalysts, 2022, vol. 12, núm. 10, p. 1130Articles publicats (D-Q)reponame:Recercat. Dipósit de la Recerca de Catalunyainstname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)Inglésinfo:eu-repo/semantics/altIdentifier/doi/10.3390/catal12101130info:eu-repo/semantics/altIdentifier/eissn/2073-4344PID2021-127423-NB-I00info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/PID2021-127423NB-I00Attribution 4.0 Internationalhttp://creativecommons.org/licenses/by/4.0/info:eu-repo/semantics/openAccessoai:recercat.cat:10256/218622026-05-29T05:05:01Z
dc.title.none.fl_str_mv A Novel Method for Dynamic Molecular Weight Distribution Determination in Organometallic Catalyzed Olefin Polymerizations
title A Novel Method for Dynamic Molecular Weight Distribution Determination in Organometallic Catalyzed Olefin Polymerizations
spellingShingle A Novel Method for Dynamic Molecular Weight Distribution Determination in Organometallic Catalyzed Olefin Polymerizations
Shiri, Masoud
Polimerització
Polymerization
Poliolefines
Polyolefins
title_short A Novel Method for Dynamic Molecular Weight Distribution Determination in Organometallic Catalyzed Olefin Polymerizations
title_full A Novel Method for Dynamic Molecular Weight Distribution Determination in Organometallic Catalyzed Olefin Polymerizations
title_fullStr A Novel Method for Dynamic Molecular Weight Distribution Determination in Organometallic Catalyzed Olefin Polymerizations
title_full_unstemmed A Novel Method for Dynamic Molecular Weight Distribution Determination in Organometallic Catalyzed Olefin Polymerizations
title_sort A Novel Method for Dynamic Molecular Weight Distribution Determination in Organometallic Catalyzed Olefin Polymerizations
dc.creator.none.fl_str_mv Shiri, Masoud
Parvazinia, Mahmoud
Yousefi, Ali Akbar
Bahri-Laleh, Naeimeh
Poater Teixidor, Albert
author Shiri, Masoud
author_facet Shiri, Masoud
Parvazinia, Mahmoud
Yousefi, Ali Akbar
Bahri-Laleh, Naeimeh
Poater Teixidor, Albert
author_role author
author2 Parvazinia, Mahmoud
Yousefi, Ali Akbar
Bahri-Laleh, Naeimeh
Poater Teixidor, Albert
author2_role author
author
author
author
dc.contributor.none.fl_str_mv Agencia Estatal de Investigación
dc.subject.none.fl_str_mv Polimerització
Polymerization
Poliolefines
Polyolefins
topic Polimerització
Polymerization
Poliolefines
Polyolefins
description In this study, a mathematical model for the time evolution of molecular weight distribution (MWD) was developed. This temporal model is based on the well-known Ziegler–Natta polymerization mechanism and reaction kinetics by the parametric solving of related differential equations. However, due to the generality of the reactions involved, the model can be extended to the other type of catalysts, such as metallocenes, Phillips, etc. The superiority of this model lies in providing the possibility of a more precise prediction over the active sites and kinetic parameters using a simple mathematical equation, which leads to improved reactor design in large-scale production. The model uses a function to develop a methodology for MWD calculations. In this way, the transient response is limited to the first few minutes of the reaction; however, it is important as it demonstrates the establishment of the final MWD. According to the results, almost for practical conditions with negligible transfer resistances, the time dependency of the MWD has a transient interval, depending on the kinetic constants of polymerization reactions. Increasing the time to infinity results in an increase in MW and a widening in MWD, which confirms the experimental plots well. In short, the main advantage of our proposed model over the previous ones is its ability to predict the MWD even before the completion of the polymerization reaction. The results of the present model match well with those of the well-known Schulz–Flory distribution, which only predicts the final molecular weight distribution, thus confirming that the model is reliable and generalizable
publishDate 2022
dc.date.none.fl_str_mv 2022
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
peer-reviewed
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10256/21862
http://hdl.handle.net/10256/21862
url http://hdl.handle.net/10256/21862
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.3390/catal12101130
info:eu-repo/semantics/altIdentifier/eissn/2073-4344
PID2021-127423-NB-I00
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/PID2021-127423NB-I00
dc.rights.none.fl_str_mv Attribution 4.0 International
http://creativecommons.org/licenses/by/4.0/
info:eu-repo/semantics/openAccess
rights_invalid_str_mv Attribution 4.0 International
http://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 MDPI (Multidisciplinary Digital Publishing Institute)
publisher.none.fl_str_mv MDPI (Multidisciplinary Digital Publishing Institute)
dc.source.none.fl_str_mv Catalysts, 2022, vol. 12, núm. 10, p. 1130
Articles publicats (D-Q)
reponame:Recercat. Dipósit de la Recerca de Catalunya
instname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
instname_str Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
reponame_str Recercat. Dipósit de la Recerca de Catalunya
collection Recercat. Dipósit de la Recerca de Catalunya
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,812429

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