Calculation of CLD using population balance equations of generating functions: linear and non-linear ideal controlled radical polymerization

Detalhes bibliográficos
Autor(a) principal: Dias, Rolando
Data de Publicação: 2010
Outros Autores: Costa, Mário Rui
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/10198/2571
Resumo: Population balance equations in terms of generating functions (GF) are used to predict chain length distributions (CLD) of linear and non-linear ideal controlled radical polymerization (CRP) systems. It is here shown that under simplified conditions analytical solutions for the CLD can be found and moreover the fundamental CLD derived by H. Tobita in 2006 is a limiting case of the more general solutions here presented. In order to deal with more complex CRP systems, solutions based upon the numerical inversion of GF are presented. These studies are also extended to the non-linear CRP of vinyl/divinyl monomers where multimodal CLDs are predicted to occur.
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spelling Calculation of CLD using population balance equations of generating functions: linear and non-linear ideal controlled radical polymerizationControlled radical polymerizationCross-linkingGenerating functionMolecular weight distributionPopulation balancesPopulation balance equations in terms of generating functions (GF) are used to predict chain length distributions (CLD) of linear and non-linear ideal controlled radical polymerization (CRP) systems. It is here shown that under simplified conditions analytical solutions for the CLD can be found and moreover the fundamental CLD derived by H. Tobita in 2006 is a limiting case of the more general solutions here presented. In order to deal with more complex CRP systems, solutions based upon the numerical inversion of GF are presented. These studies are also extended to the non-linear CRP of vinyl/divinyl monomers where multimodal CLDs are predicted to occur.Fundação para a Ciência e a Tecnologia (FCT), Ministry of Science and Technology of Portugal, European Community through FEDER, Project PTDC/EQU-EQU/098150/2008 (COMPETE-QCA III), Marie Curie Initial Training Network Nanopoly (ITN-GA-2009-238700)Fundação para a Ciência e a Tecnologia (FCT), Ministry of Science and Technology of Portugal, European Community through FEDER, Project PTDC/EQU-EQU/098150/2008 (COMPETE-QCA III), Marie Curie Initial Training Network Nanopoly (ITN-GA-2009-238700)WILEY-VCHBiblioteca Digital do IPBDias, RolandoCosta, Mário Rui2010-08-30T11:02:21Z20102010-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10198/2571engDias; Rolando, Costa; Mário (2010). Calculation of CLD using population balance equations of generating functions: linear and non-linear ideal controlled radical polymerization. Macromolecular Theory and Simulations. ISSN 1022-1344.1022-134410.1002/mats.201000008info:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2023-11-21T10:07:01Zoai:bibliotecadigital.ipb.pt:10198/2571Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T22:55:39.208958Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse
dc.title.none.fl_str_mv Calculation of CLD using population balance equations of generating functions: linear and non-linear ideal controlled radical polymerization
title Calculation of CLD using population balance equations of generating functions: linear and non-linear ideal controlled radical polymerization
spellingShingle Calculation of CLD using population balance equations of generating functions: linear and non-linear ideal controlled radical polymerization
Dias, Rolando
Controlled radical polymerization
Cross-linking
Generating function
Molecular weight distribution
Population balances
title_short Calculation of CLD using population balance equations of generating functions: linear and non-linear ideal controlled radical polymerization
title_full Calculation of CLD using population balance equations of generating functions: linear and non-linear ideal controlled radical polymerization
title_fullStr Calculation of CLD using population balance equations of generating functions: linear and non-linear ideal controlled radical polymerization
title_full_unstemmed Calculation of CLD using population balance equations of generating functions: linear and non-linear ideal controlled radical polymerization
title_sort Calculation of CLD using population balance equations of generating functions: linear and non-linear ideal controlled radical polymerization
author Dias, Rolando
author_facet Dias, Rolando
Costa, Mário Rui
author_role author
author2 Costa, Mário Rui
author2_role author
dc.contributor.none.fl_str_mv Biblioteca Digital do IPB
dc.contributor.author.fl_str_mv Dias, Rolando
Costa, Mário Rui
dc.subject.por.fl_str_mv Controlled radical polymerization
Cross-linking
Generating function
Molecular weight distribution
Population balances
topic Controlled radical polymerization
Cross-linking
Generating function
Molecular weight distribution
Population balances
description Population balance equations in terms of generating functions (GF) are used to predict chain length distributions (CLD) of linear and non-linear ideal controlled radical polymerization (CRP) systems. It is here shown that under simplified conditions analytical solutions for the CLD can be found and moreover the fundamental CLD derived by H. Tobita in 2006 is a limiting case of the more general solutions here presented. In order to deal with more complex CRP systems, solutions based upon the numerical inversion of GF are presented. These studies are also extended to the non-linear CRP of vinyl/divinyl monomers where multimodal CLDs are predicted to occur.
publishDate 2010
dc.date.none.fl_str_mv 2010-08-30T11:02:21Z
2010
2010-01-01T00:00:00Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://hdl.handle.net/10198/2571
url http://hdl.handle.net/10198/2571
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Dias; Rolando, Costa; Mário (2010). Calculation of CLD using population balance equations of generating functions: linear and non-linear ideal controlled radical polymerization. Macromolecular Theory and Simulations. ISSN 1022-1344.
1022-1344
10.1002/mats.201000008
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv WILEY-VCH
publisher.none.fl_str_mv WILEY-VCH
dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron:RCAAP
instname_str Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron_str RCAAP
institution RCAAP
reponame_str Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
collection Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
repository.name.fl_str_mv Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
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