Prediction of sol fraction and average molecular weights after gelation for non-linear free radical polymerizations using a kinetic approach

Detalhes bibliográficos
Autor(a) principal: Costa, Mário Rui
Data de Publicação: 2003
Outros Autores: Dias, Rolando
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/10198/338
Resumo: Mass balance equations in terms of the moment generating function of the distribution of mole concentrations of polymer species for free radical copolymerizations of mono/divinyl monomers could be numerically solved after gel point using open source code ACDC, needed for extremely stiff two-point boundary value problems. For the first time, it became possible to compare the error of earlier well-known approximated estimation methods for the weight fraction of sol and average molecular weights to this accurate mathematical solution. It turns out that predictions by the pseudo-kinetic method are reasonable only when equal reactivity of double bonds prevails, causing early gelation in the batch reactor. Otherwise the discrepancies between the exact and approximate solutions are quite important.
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spelling Prediction of sol fraction and average molecular weights after gelation for non-linear free radical polymerizations using a kinetic approachAverage molecular weightsDivinyl monomersDivinyl monomersFree radical polymerizationsGelsKinetics (polym.)Mass balance equations in terms of the moment generating function of the distribution of mole concentrations of polymer species for free radical copolymerizations of mono/divinyl monomers could be numerically solved after gel point using open source code ACDC, needed for extremely stiff two-point boundary value problems. For the first time, it became possible to compare the error of earlier well-known approximated estimation methods for the weight fraction of sol and average molecular weights to this accurate mathematical solution. It turns out that predictions by the pseudo-kinetic method are reasonable only when equal reactivity of double bonds prevails, causing early gelation in the batch reactor. Otherwise the discrepancies between the exact and approximate solutions are quite important.Wiley InterscienceBiblioteca Digital do IPBCosta, Mário RuiDias, Rolando2008-01-04T11:13:27Z20032003-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10198/338engengCosta, Mário; Dias, Rolando (2003). Prediction of sol fraction and average molecular weights after gelation for non-linear free radical polymerizations using a kinetic approach. Macromolecular Theory and Simulations. ISSN 1022-1344. 12:8, 560-5721022-1344Macromolecular Theory and Simulations10.1002/mats.200350011info: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:RCAAP2023-11-21T10:03:18Zoai:bibliotecadigital.ipb.pt:10198/338Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T22:54:14.556506Repositório 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 Prediction of sol fraction and average molecular weights after gelation for non-linear free radical polymerizations using a kinetic approach
title Prediction of sol fraction and average molecular weights after gelation for non-linear free radical polymerizations using a kinetic approach
spellingShingle Prediction of sol fraction and average molecular weights after gelation for non-linear free radical polymerizations using a kinetic approach
Costa, Mário Rui
Average molecular weights
Divinyl monomers
Divinyl monomers
Free radical polymerizations
Gels
Kinetics (polym.)
title_short Prediction of sol fraction and average molecular weights after gelation for non-linear free radical polymerizations using a kinetic approach
title_full Prediction of sol fraction and average molecular weights after gelation for non-linear free radical polymerizations using a kinetic approach
title_fullStr Prediction of sol fraction and average molecular weights after gelation for non-linear free radical polymerizations using a kinetic approach
title_full_unstemmed Prediction of sol fraction and average molecular weights after gelation for non-linear free radical polymerizations using a kinetic approach
title_sort Prediction of sol fraction and average molecular weights after gelation for non-linear free radical polymerizations using a kinetic approach
author Costa, Mário Rui
author_facet Costa, Mário Rui
Dias, Rolando
author_role author
author2 Dias, Rolando
author2_role author
dc.contributor.none.fl_str_mv Biblioteca Digital do IPB
dc.contributor.author.fl_str_mv Costa, Mário Rui
Dias, Rolando
dc.subject.por.fl_str_mv Average molecular weights
Divinyl monomers
Divinyl monomers
Free radical polymerizations
Gels
Kinetics (polym.)
topic Average molecular weights
Divinyl monomers
Divinyl monomers
Free radical polymerizations
Gels
Kinetics (polym.)
description Mass balance equations in terms of the moment generating function of the distribution of mole concentrations of polymer species for free radical copolymerizations of mono/divinyl monomers could be numerically solved after gel point using open source code ACDC, needed for extremely stiff two-point boundary value problems. For the first time, it became possible to compare the error of earlier well-known approximated estimation methods for the weight fraction of sol and average molecular weights to this accurate mathematical solution. It turns out that predictions by the pseudo-kinetic method are reasonable only when equal reactivity of double bonds prevails, causing early gelation in the batch reactor. Otherwise the discrepancies between the exact and approximate solutions are quite important.
publishDate 2003
dc.date.none.fl_str_mv 2003
2003-01-01T00:00:00Z
2008-01-04T11:13:27Z
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/10198/338
url http://hdl.handle.net/10198/338
dc.language.iso.fl_str_mv eng
eng
language eng
dc.relation.none.fl_str_mv Costa, Mário; Dias, Rolando (2003). Prediction of sol fraction and average molecular weights after gelation for non-linear free radical polymerizations using a kinetic approach. Macromolecular Theory and Simulations. ISSN 1022-1344. 12:8, 560-572
1022-1344
Macromolecular Theory and Simulations
10.1002/mats.200350011
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 Interscience
publisher.none.fl_str_mv Wiley Interscience
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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