Residence Time Distribution Determination of a Continuous Stirred Tank Reactor using Computational Fluid Dynamics and its Application on the Mathematical Modeling of Styrene Polyme...

Autores: Gamba, Ignacio Luis; Marquez Damian, Santiago; Estenoz, Diana Alejandra; Storti, Mario Alberto; Nigro, Norberto Marcelo; Knoeppel, David
Año de publicación: 2012
Idioma: inglés
Tipo de recurso: artículo
Estado: versión publicada
Descripción: The continuous operation of a stirred tank reactor for styrene polymerization was modeled. The proposed approach consists of an iterative procedure between two modules that considers the fluid-dynamics and kinetics respectively. The kinetic module considers a complex kinetic mechanism and is used to predict the time evolution of global variables, such as conversion and species concentrations, physicochemical properties and molecular structure characteristics of the final product. In order to obtain a 3D representation of the flow field, the simulation of the hydrodynamics of the reactor was carried out with the aid of a commercial computational fluid dynamics (CFD) software package. Because CFD is capable to predict the complete velocity distribution in a tank, it provided a good alternative to carry out residence time distribution (RTD) studies. It was found that the stimulus-response tracer method is reasonably accurate to obtain a complete RTD compared to the particle tracking method. The obtained RTD results showed a good agreement when validated with experimental data and literature information. From the estimates of the kinetic module and the RTD predictions, a statistical calculus allows the determination of the average properties at the reactor outlet. The convergence of the iterative procedure was tested and reasonable predictions were achieved for an industrial reactor.
Fil: Gamba, Ignacio Luis. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
Fil: Marquez Damian, Santiago. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
Fil: Estenoz, Diana Alejandra. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
Fil: Storti, Mario Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
Fil: Nigro, Norberto Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
Fil: Knoeppel, David. TOTAL Petrochemicals; Estados Unidos
Materia: Cfd
Residence Time Distribution
Cstr
Polymerization
Nivel de accesibilidad: acceso abierto
Condiciones de uso: https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
Institución: Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador: oai:ri.conicet.gov.ar:11336/18820

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spelling	Residence Time Distribution Determination of a Continuous Stirred Tank Reactor using Computational Fluid Dynamics and its Application on the Mathematical Modeling of Styrene PolymerizationGamba, Ignacio LuisMarquez Damian, SantiagoEstenoz, Diana AlejandraStorti, Mario AlbertoNigro, Norberto MarceloKnoeppel, DavidCfdResidence Time DistributionCstrPolymerizationhttps://purl.org/becyt/ford/2.4https://purl.org/becyt/ford/2The continuous operation of a stirred tank reactor for styrene polymerization was modeled. The proposed approach consists of an iterative procedure between two modules that considers the fluid-dynamics and kinetics respectively. The kinetic module considers a complex kinetic mechanism and is used to predict the time evolution of global variables, such as conversion and species concentrations, physicochemical properties and molecular structure characteristics of the final product. In order to obtain a 3D representation of the flow field, the simulation of the hydrodynamics of the reactor was carried out with the aid of a commercial computational fluid dynamics (CFD) software package. Because CFD is capable to predict the complete velocity distribution in a tank, it provided a good alternative to carry out residence time distribution (RTD) studies. It was found that the stimulus-response tracer method is reasonably accurate to obtain a complete RTD compared to the particle tracking method. The obtained RTD results showed a good agreement when validated with experimental data and literature information. From the estimates of the kinetic module and the RTD predictions, a statistical calculus allows the determination of the average properties at the reactor outlet. The convergence of the iterative procedure was tested and reasonable predictions were achieved for an industrial reactor.Fil: Gamba, Ignacio Luis. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; ArgentinaFil: Marquez Damian, Santiago. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; ArgentinaFil: Estenoz, Diana Alejandra. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; ArgentinaFil: Storti, Mario Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; ArgentinaFil: Nigro, Norberto Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; ArgentinaFil: Knoeppel, David. TOTAL Petrochemicals; Estados UnidosDe Gruyter2012-08info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/18820Gamba, Ignacio Luis; Marquez Damian, Santiago; Estenoz, Diana Alejandra; Storti, Mario Alberto; Nigro, Norberto Marcelo; et al.; Residence Time Distribution Determination of a Continuous Stirred Tank Reactor using Computational Fluid Dynamics and its Application on the Mathematical Modeling of Styrene Polymerization; De Gruyter; International Journal Of Chemical Reactor Engineering; 10; 1; 8-2012; 1515-15421542-6580CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1515/1542-6580.3057info:eu-repo/semantics/altIdentifier/url/https://www.degruyter.com/view/j/ijcre.2012.10.issue-1/1542-6580.3057/1542-6580.3057.xmlinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:37:28Zoai:ri.conicet.gov.ar:11336/18820instacron: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:34982025-09-29 09:37:28.803CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv	Residence Time Distribution Determination of a Continuous Stirred Tank Reactor using Computational Fluid Dynamics and its Application on the Mathematical Modeling of Styrene Polymerization
title	Residence Time Distribution Determination of a Continuous Stirred Tank Reactor using Computational Fluid Dynamics and its Application on the Mathematical Modeling of Styrene Polymerization
spellingShingle	Residence Time Distribution Determination of a Continuous Stirred Tank Reactor using Computational Fluid Dynamics and its Application on the Mathematical Modeling of Styrene Polymerization Gamba, Ignacio Luis Cfd Residence Time Distribution Cstr Polymerization
title_short	Residence Time Distribution Determination of a Continuous Stirred Tank Reactor using Computational Fluid Dynamics and its Application on the Mathematical Modeling of Styrene Polymerization
title_full	Residence Time Distribution Determination of a Continuous Stirred Tank Reactor using Computational Fluid Dynamics and its Application on the Mathematical Modeling of Styrene Polymerization
title_fullStr	Residence Time Distribution Determination of a Continuous Stirred Tank Reactor using Computational Fluid Dynamics and its Application on the Mathematical Modeling of Styrene Polymerization
title_full_unstemmed	Residence Time Distribution Determination of a Continuous Stirred Tank Reactor using Computational Fluid Dynamics and its Application on the Mathematical Modeling of Styrene Polymerization
title_sort	Residence Time Distribution Determination of a Continuous Stirred Tank Reactor using Computational Fluid Dynamics and its Application on the Mathematical Modeling of Styrene Polymerization
dc.creator.none.fl_str_mv	Gamba, Ignacio Luis Marquez Damian, Santiago Estenoz, Diana Alejandra Storti, Mario Alberto Nigro, Norberto Marcelo Knoeppel, David
author	Gamba, Ignacio Luis
author_facet	Gamba, Ignacio Luis Marquez Damian, Santiago Estenoz, Diana Alejandra Storti, Mario Alberto Nigro, Norberto Marcelo Knoeppel, David
author_role	author
author2	Marquez Damian, Santiago Estenoz, Diana Alejandra Storti, Mario Alberto Nigro, Norberto Marcelo Knoeppel, David
author2_role	author author author author author
dc.subject.none.fl_str_mv	Cfd Residence Time Distribution Cstr Polymerization
topic	Cfd Residence Time Distribution Cstr Polymerization
purl_subject.fl_str_mv	https://purl.org/becyt/ford/2.4 https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv	The continuous operation of a stirred tank reactor for styrene polymerization was modeled. The proposed approach consists of an iterative procedure between two modules that considers the fluid-dynamics and kinetics respectively. The kinetic module considers a complex kinetic mechanism and is used to predict the time evolution of global variables, such as conversion and species concentrations, physicochemical properties and molecular structure characteristics of the final product. In order to obtain a 3D representation of the flow field, the simulation of the hydrodynamics of the reactor was carried out with the aid of a commercial computational fluid dynamics (CFD) software package. Because CFD is capable to predict the complete velocity distribution in a tank, it provided a good alternative to carry out residence time distribution (RTD) studies. It was found that the stimulus-response tracer method is reasonably accurate to obtain a complete RTD compared to the particle tracking method. The obtained RTD results showed a good agreement when validated with experimental data and literature information. From the estimates of the kinetic module and the RTD predictions, a statistical calculus allows the determination of the average properties at the reactor outlet. The convergence of the iterative procedure was tested and reasonable predictions were achieved for an industrial reactor. Fil: Gamba, Ignacio Luis. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina Fil: Marquez Damian, Santiago. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina Fil: Estenoz, Diana Alejandra. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina Fil: Storti, Mario Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina Fil: Nigro, Norberto Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina Fil: Knoeppel, David. TOTAL Petrochemicals; Estados Unidos
description	The continuous operation of a stirred tank reactor for styrene polymerization was modeled. The proposed approach consists of an iterative procedure between two modules that considers the fluid-dynamics and kinetics respectively. The kinetic module considers a complex kinetic mechanism and is used to predict the time evolution of global variables, such as conversion and species concentrations, physicochemical properties and molecular structure characteristics of the final product. In order to obtain a 3D representation of the flow field, the simulation of the hydrodynamics of the reactor was carried out with the aid of a commercial computational fluid dynamics (CFD) software package. Because CFD is capable to predict the complete velocity distribution in a tank, it provided a good alternative to carry out residence time distribution (RTD) studies. It was found that the stimulus-response tracer method is reasonably accurate to obtain a complete RTD compared to the particle tracking method. The obtained RTD results showed a good agreement when validated with experimental data and literature information. From the estimates of the kinetic module and the RTD predictions, a statistical calculus allows the determination of the average properties at the reactor outlet. The convergence of the iterative procedure was tested and reasonable predictions were achieved for an industrial reactor.
publishDate	2012
dc.date.none.fl_str_mv	2012-08
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/11336/18820 Gamba, Ignacio Luis; Marquez Damian, Santiago; Estenoz, Diana Alejandra; Storti, Mario Alberto; Nigro, Norberto Marcelo; et al.; Residence Time Distribution Determination of a Continuous Stirred Tank Reactor using Computational Fluid Dynamics and its Application on the Mathematical Modeling of Styrene Polymerization; De Gruyter; International Journal Of Chemical Reactor Engineering; 10; 1; 8-2012; 1515-1542 1542-6580 CONICET Digital CONICET
url	http://hdl.handle.net/11336/18820
identifier_str_mv	Gamba, Ignacio Luis; Marquez Damian, Santiago; Estenoz, Diana Alejandra; Storti, Mario Alberto; Nigro, Norberto Marcelo; et al.; Residence Time Distribution Determination of a Continuous Stirred Tank Reactor using Computational Fluid Dynamics and its Application on the Mathematical Modeling of Styrene Polymerization; De Gruyter; International Journal Of Chemical Reactor Engineering; 10; 1; 8-2012; 1515-1542 1542-6580 CONICET Digital CONICET
dc.language.none.fl_str_mv	eng
language	eng
dc.relation.none.fl_str_mv	info:eu-repo/semantics/altIdentifier/doi/10.1515/1542-6580.3057 info:eu-repo/semantics/altIdentifier/url/https://www.degruyter.com/view/j/ijcre.2012.10.issue-1/1542-6580.3057/1542-6580.3057.xml
dc.rights.none.fl_str_mv	info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
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dc.publisher.none.fl_str_mv	De Gruyter
publisher.none.fl_str_mv	De Gruyter
dc.source.none.fl_str_mv	reponame:CONICET Digital (CONICET) instname:Consejo Nacional de Investigaciones Científicas y Técnicas
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Residence Time Distribution Determination of a Continuous Stirred Tank Reactor using Computational Fluid Dynamics and its Application on the Mathematical Modeling of Styrene Polyme...

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