Calculation of CLD using population balance equations of generating functions: linear and non-linear ideal controlled radical polymerization
Autor(a) principal: | |
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Data de Publicação: | 2010 |
Outros Autores: | |
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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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 |
repository.mail.fl_str_mv |
|
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1799135161400426496 |