Mathematical modeling of molecular weight distributions in vinyl chloride suspension polymerizations performed with a bifunctional initiator through probability generating function...

Autores
Castor Jr., Carlos A.; Sarmoria, Claudia; Asteasuain, Mariano; Brandolin, Adriana; Pinto, José C.
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
This paper presents a mathematical model to describe the evolution of the molecular weight distribution (MWD) in vinyl chloride (VCM) free-radical suspension polymerizations performed with a bifunctional initiator, 1,3-di(2-neodecanoylperoxyisopropyl) (DIPND). The model yields, as a function of time, the mass balances for the distinct phases, the monomer conversions, the number- and mass-average molecular weights and the complete MWD of both the growing and dead polymer chains. In order to describe the MWD, the model uses probability generating functions (pgf) to transform the infinite mass balance equations that describe the evolution of the distribution into a reduced and finite set of model equations. The set of pgf-transformed model equations is then solved and inverted numerically. Numerical validation of the proposed numerical scheme was successfully performed with help of published experimental data. As shown throughout many examples, as the dynamics of the molecular weight distributions in vinyl chloride suspension polymerizations is controlled by chain transfer to monomer, the molecular weight distributions of the final polymer resin is little sensitive to the presence of the linear symmetrical bifunctional initiator
Fil: Castor Jr., Carlos A.. Universidade Federal do Rio de Janeiro; Brasil
Fil: Sarmoria, Claudia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; Argentina
Fil: Asteasuain, Mariano. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; Argentina
Fil: Brandolin, Adriana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; Argentina
Fil: Pinto, José C.. Universidade Federal do Rio de Janeiro; Brasil
Materia
Vinyl Chloride Suspension Polymerization
Mathematical Model
Pgf - Probability Generating Function
Mwd - Molecular Weight Distribution
Bifunctional Initiator
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/25973
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/25973
network_acronym_str CONICETDig
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network_name_str CONICET Digital (CONICET)
spelling Mathematical modeling of molecular weight distributions in vinyl chloride suspension polymerizations performed with a bifunctional initiator through probability generating functionsCastor Jr., Carlos A.Sarmoria, ClaudiaAsteasuain, MarianoBrandolin, AdrianaPinto, José C.Vinyl Chloride Suspension PolymerizationMathematical ModelPgf - Probability Generating FunctionMwd - Molecular Weight DistributionBifunctional Initiatorhttps://purl.org/becyt/ford/2.4https://purl.org/becyt/ford/2This paper presents a mathematical model to describe the evolution of the molecular weight distribution (MWD) in vinyl chloride (VCM) free-radical suspension polymerizations performed with a bifunctional initiator, 1,3-di(2-neodecanoylperoxyisopropyl) (DIPND). The model yields, as a function of time, the mass balances for the distinct phases, the monomer conversions, the number- and mass-average molecular weights and the complete MWD of both the growing and dead polymer chains. In order to describe the MWD, the model uses probability generating functions (pgf) to transform the infinite mass balance equations that describe the evolution of the distribution into a reduced and finite set of model equations. The set of pgf-transformed model equations is then solved and inverted numerically. Numerical validation of the proposed numerical scheme was successfully performed with help of published experimental data. As shown throughout many examples, as the dynamics of the molecular weight distributions in vinyl chloride suspension polymerizations is controlled by chain transfer to monomer, the molecular weight distributions of the final polymer resin is little sensitive to the presence of the linear symmetrical bifunctional initiatorFil: Castor Jr., Carlos A.. Universidade Federal do Rio de Janeiro; BrasilFil: Sarmoria, Claudia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; ArgentinaFil: Asteasuain, Mariano. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; ArgentinaFil: Brandolin, Adriana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; ArgentinaFil: Pinto, José C.. Universidade Federal do Rio de Janeiro; BrasilWiley VCH Verlag2014-07-17info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/25973Castor Jr., Carlos A.; Sarmoria, Claudia; Asteasuain, Mariano; Brandolin, Adriana; Pinto, José C.; Mathematical modeling of molecular weight distributions in vinyl chloride suspension polymerizations performed with a bifunctional initiator through probability generating functions; Wiley VCH Verlag; Macromolecular Theory And Simulations; 23; 8; 17-7-2014; 500-5221022-13441521-3919CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1002/mats.201400038info:eu-repo/semantics/altIdentifier/url/http://onlinelibrary.wiley.com/doi/10.1002/mats.201400038/abstractinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-10T13:06:07Zoai:ri.conicet.gov.ar:11336/25973instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-10 13:06:08.207CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Mathematical modeling of molecular weight distributions in vinyl chloride suspension polymerizations performed with a bifunctional initiator through probability generating functions
title Mathematical modeling of molecular weight distributions in vinyl chloride suspension polymerizations performed with a bifunctional initiator through probability generating functions
spellingShingle Mathematical modeling of molecular weight distributions in vinyl chloride suspension polymerizations performed with a bifunctional initiator through probability generating functions
Castor Jr., Carlos A.
Vinyl Chloride Suspension Polymerization
Mathematical Model
Pgf - Probability Generating Function
Mwd - Molecular Weight Distribution
Bifunctional Initiator
title_short Mathematical modeling of molecular weight distributions in vinyl chloride suspension polymerizations performed with a bifunctional initiator through probability generating functions
title_full Mathematical modeling of molecular weight distributions in vinyl chloride suspension polymerizations performed with a bifunctional initiator through probability generating functions
title_fullStr Mathematical modeling of molecular weight distributions in vinyl chloride suspension polymerizations performed with a bifunctional initiator through probability generating functions
title_full_unstemmed Mathematical modeling of molecular weight distributions in vinyl chloride suspension polymerizations performed with a bifunctional initiator through probability generating functions
title_sort Mathematical modeling of molecular weight distributions in vinyl chloride suspension polymerizations performed with a bifunctional initiator through probability generating functions
dc.creator.none.fl_str_mv Castor Jr., Carlos A.
Sarmoria, Claudia
Asteasuain, Mariano
Brandolin, Adriana
Pinto, José C.
author Castor Jr., Carlos A.
author_facet Castor Jr., Carlos A.
Sarmoria, Claudia
Asteasuain, Mariano
Brandolin, Adriana
Pinto, José C.
author_role author
author2 Sarmoria, Claudia
Asteasuain, Mariano
Brandolin, Adriana
Pinto, José C.
author2_role author
author
author
author
dc.subject.none.fl_str_mv Vinyl Chloride Suspension Polymerization
Mathematical Model
Pgf - Probability Generating Function
Mwd - Molecular Weight Distribution
Bifunctional Initiator
topic Vinyl Chloride Suspension Polymerization
Mathematical Model
Pgf - Probability Generating Function
Mwd - Molecular Weight Distribution
Bifunctional Initiator
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.4
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv This paper presents a mathematical model to describe the evolution of the molecular weight distribution (MWD) in vinyl chloride (VCM) free-radical suspension polymerizations performed with a bifunctional initiator, 1,3-di(2-neodecanoylperoxyisopropyl) (DIPND). The model yields, as a function of time, the mass balances for the distinct phases, the monomer conversions, the number- and mass-average molecular weights and the complete MWD of both the growing and dead polymer chains. In order to describe the MWD, the model uses probability generating functions (pgf) to transform the infinite mass balance equations that describe the evolution of the distribution into a reduced and finite set of model equations. The set of pgf-transformed model equations is then solved and inverted numerically. Numerical validation of the proposed numerical scheme was successfully performed with help of published experimental data. As shown throughout many examples, as the dynamics of the molecular weight distributions in vinyl chloride suspension polymerizations is controlled by chain transfer to monomer, the molecular weight distributions of the final polymer resin is little sensitive to the presence of the linear symmetrical bifunctional initiator
Fil: Castor Jr., Carlos A.. Universidade Federal do Rio de Janeiro; Brasil
Fil: Sarmoria, Claudia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; Argentina
Fil: Asteasuain, Mariano. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; Argentina
Fil: Brandolin, Adriana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; Argentina
Fil: Pinto, José C.. Universidade Federal do Rio de Janeiro; Brasil
description This paper presents a mathematical model to describe the evolution of the molecular weight distribution (MWD) in vinyl chloride (VCM) free-radical suspension polymerizations performed with a bifunctional initiator, 1,3-di(2-neodecanoylperoxyisopropyl) (DIPND). The model yields, as a function of time, the mass balances for the distinct phases, the monomer conversions, the number- and mass-average molecular weights and the complete MWD of both the growing and dead polymer chains. In order to describe the MWD, the model uses probability generating functions (pgf) to transform the infinite mass balance equations that describe the evolution of the distribution into a reduced and finite set of model equations. The set of pgf-transformed model equations is then solved and inverted numerically. Numerical validation of the proposed numerical scheme was successfully performed with help of published experimental data. As shown throughout many examples, as the dynamics of the molecular weight distributions in vinyl chloride suspension polymerizations is controlled by chain transfer to monomer, the molecular weight distributions of the final polymer resin is little sensitive to the presence of the linear symmetrical bifunctional initiator
publishDate 2014
dc.date.none.fl_str_mv 2014-07-17
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/25973
Castor Jr., Carlos A.; Sarmoria, Claudia; Asteasuain, Mariano; Brandolin, Adriana; Pinto, José C.; Mathematical modeling of molecular weight distributions in vinyl chloride suspension polymerizations performed with a bifunctional initiator through probability generating functions; Wiley VCH Verlag; Macromolecular Theory And Simulations; 23; 8; 17-7-2014; 500-522
1022-1344
1521-3919
CONICET Digital
CONICET
url http://hdl.handle.net/11336/25973
identifier_str_mv Castor Jr., Carlos A.; Sarmoria, Claudia; Asteasuain, Mariano; Brandolin, Adriana; Pinto, José C.; Mathematical modeling of molecular weight distributions in vinyl chloride suspension polymerizations performed with a bifunctional initiator through probability generating functions; Wiley VCH Verlag; Macromolecular Theory And Simulations; 23; 8; 17-7-2014; 500-522
1022-1344
1521-3919
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1002/mats.201400038
info:eu-repo/semantics/altIdentifier/url/http://onlinelibrary.wiley.com/doi/10.1002/mats.201400038/abstract
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Wiley VCH Verlag
publisher.none.fl_str_mv Wiley VCH Verlag
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 12.993085

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