Prediction of effectiveness factor using one-dimensional approximations for complex pellet shapes and abnormal kinetics expressions

Autores
Martinez, Osvaldo Miguel; Taulamet, María José; Keegan, Sergio Dario; Barreto, Guillermo Fernando; Mariani, Nestor Javier
Año de publicación
2013
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
This contribution undertakes the evaluation of one-dimensional (1D) models to approximate the behavior of actual three-dimensional (3D) catalyst pellets, in the case of abnormal kinetics and close to the limit of steady state multiplicity. Two 1D models are tested: a one parameter model, called generalized cylinder (1D-GC) and a three parameter model termed the variable diffusivity (1D-VD) model. A representative set of shapes presented by commercial catalytic pellets was selected to study the performance of the models to predict effective reaction rates. Kinetics expressions covering typical cases of thermal and self-inhibition effects have been considered. Predictions of effectiveness factor using 1D-GC and 1D-VD models are compared with numerical results obtained from the Comsol Multiphysics environment for the 3D pellets. The simpler 1D-GC model can lead to maximum errors exceeding 40%, while the 1D-VD model reduces them to a level of 10%.
Fil: Martinez, Osvaldo Miguel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Centro de Investigación y Desarrollo En Ciencias Aplicadas; Argentina. Facultad de Ingeniería. Departamento de Ingeniería Química. PROIRQ; Argentina
Fil: Taulamet, María José. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Centro de Investigación y Desarrollo En Ciencias Aplicadas; Argentina. Facultad de Ingeniería. Departamento de Ingeniería Química. PROIRQ; Argentina
Fil: Keegan, Sergio Dario. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Centro de Investigación y Desarrollo En Ciencias Aplicadas; Argentina
Fil: Barreto, Guillermo Fernando. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Centro de Investigación y Desarrollo En Ciencias Aplicadas; Argentina. Facultad de Ingeniería. Departamento de Ingeniería Química. PROIRQ; Argentina
Fil: Mariani, Nestor Javier. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Centro de Investigación y Desarrollo En Ciencias Aplicadas; Argentina. Facultad de Ingeniería. Departamento de Ingeniería Química. PROIRQ; Argentina
Materia
Effectiveness Factor
One-Dimensional Model
Diffusion-Reaction Problem
Abnormal Kinetics
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:11336/4621
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/4621
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Prediction of effectiveness factor using one-dimensional approximations for complex pellet shapes and abnormal kinetics expressionsMartinez, Osvaldo MiguelTaulamet, María JoséKeegan, Sergio DarioBarreto, Guillermo FernandoMariani, Nestor JavierEffectiveness FactorOne-Dimensional ModelDiffusion-Reaction ProblemAbnormal Kineticshttps://purl.org/becyt/ford/2.4https://purl.org/becyt/ford/2This contribution undertakes the evaluation of one-dimensional (1D) models to approximate the behavior of actual three-dimensional (3D) catalyst pellets, in the case of abnormal kinetics and close to the limit of steady state multiplicity. Two 1D models are tested: a one parameter model, called generalized cylinder (1D-GC) and a three parameter model termed the variable diffusivity (1D-VD) model. A representative set of shapes presented by commercial catalytic pellets was selected to study the performance of the models to predict effective reaction rates. Kinetics expressions covering typical cases of thermal and self-inhibition effects have been considered. Predictions of effectiveness factor using 1D-GC and 1D-VD models are compared with numerical results obtained from the Comsol Multiphysics environment for the 3D pellets. The simpler 1D-GC model can lead to maximum errors exceeding 40%, while the 1D-VD model reduces them to a level of 10%.Fil: Martinez, Osvaldo Miguel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Centro de Investigación y Desarrollo En Ciencias Aplicadas; Argentina. Facultad de Ingeniería. Departamento de Ingeniería Química. PROIRQ; ArgentinaFil: Taulamet, María José. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Centro de Investigación y Desarrollo En Ciencias Aplicadas; Argentina. Facultad de Ingeniería. Departamento de Ingeniería Química. PROIRQ; ArgentinaFil: Keegan, Sergio Dario. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Centro de Investigación y Desarrollo En Ciencias Aplicadas; ArgentinaFil: Barreto, Guillermo Fernando. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Centro de Investigación y Desarrollo En Ciencias Aplicadas; Argentina. Facultad de Ingeniería. Departamento de Ingeniería Química. PROIRQ; ArgentinaFil: Mariani, Nestor Javier. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Centro de Investigación y Desarrollo En Ciencias Aplicadas; Argentina. Facultad de Ingeniería. Departamento de Ingeniería Química. PROIRQ; ArgentinaAmerican Chemical Society2013-04-30info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/4621Martinez, Osvaldo Miguel; Taulamet, María José; Keegan, Sergio Dario; Barreto, Guillermo Fernando; Mariani, Nestor Javier; Prediction of effectiveness factor using one-dimensional approximations for complex pellet shapes and abnormal kinetics expressions; American Chemical Society; Industrial & Engineering Chemical Research; 52; 44; 30-4-2013; 15321-153290888-5885enginfo:eu-repo/semantics/altIdentifier/doi/10.1021/ie4005805info:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/abs/10.1021/ie4005805info:eu-repo/semantics/altIdentifier/issn/0888-5885info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:25:12Zoai:ri.conicet.gov.ar:11336/4621instacron: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 10:25:12.309CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Prediction of effectiveness factor using one-dimensional approximations for complex pellet shapes and abnormal kinetics expressions
title Prediction of effectiveness factor using one-dimensional approximations for complex pellet shapes and abnormal kinetics expressions
spellingShingle Prediction of effectiveness factor using one-dimensional approximations for complex pellet shapes and abnormal kinetics expressions
Martinez, Osvaldo Miguel
Effectiveness Factor
One-Dimensional Model
Diffusion-Reaction Problem
Abnormal Kinetics
title_short Prediction of effectiveness factor using one-dimensional approximations for complex pellet shapes and abnormal kinetics expressions
title_full Prediction of effectiveness factor using one-dimensional approximations for complex pellet shapes and abnormal kinetics expressions
title_fullStr Prediction of effectiveness factor using one-dimensional approximations for complex pellet shapes and abnormal kinetics expressions
title_full_unstemmed Prediction of effectiveness factor using one-dimensional approximations for complex pellet shapes and abnormal kinetics expressions
title_sort Prediction of effectiveness factor using one-dimensional approximations for complex pellet shapes and abnormal kinetics expressions
dc.creator.none.fl_str_mv Martinez, Osvaldo Miguel
Taulamet, María José
Keegan, Sergio Dario
Barreto, Guillermo Fernando
Mariani, Nestor Javier
author Martinez, Osvaldo Miguel
author_facet Martinez, Osvaldo Miguel
Taulamet, María José
Keegan, Sergio Dario
Barreto, Guillermo Fernando
Mariani, Nestor Javier
author_role author
author2 Taulamet, María José
Keegan, Sergio Dario
Barreto, Guillermo Fernando
Mariani, Nestor Javier
author2_role author
author
author
author
dc.subject.none.fl_str_mv Effectiveness Factor
One-Dimensional Model
Diffusion-Reaction Problem
Abnormal Kinetics
topic Effectiveness Factor
One-Dimensional Model
Diffusion-Reaction Problem
Abnormal Kinetics
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 contribution undertakes the evaluation of one-dimensional (1D) models to approximate the behavior of actual three-dimensional (3D) catalyst pellets, in the case of abnormal kinetics and close to the limit of steady state multiplicity. Two 1D models are tested: a one parameter model, called generalized cylinder (1D-GC) and a three parameter model termed the variable diffusivity (1D-VD) model. A representative set of shapes presented by commercial catalytic pellets was selected to study the performance of the models to predict effective reaction rates. Kinetics expressions covering typical cases of thermal and self-inhibition effects have been considered. Predictions of effectiveness factor using 1D-GC and 1D-VD models are compared with numerical results obtained from the Comsol Multiphysics environment for the 3D pellets. The simpler 1D-GC model can lead to maximum errors exceeding 40%, while the 1D-VD model reduces them to a level of 10%.
Fil: Martinez, Osvaldo Miguel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Centro de Investigación y Desarrollo En Ciencias Aplicadas; Argentina. Facultad de Ingeniería. Departamento de Ingeniería Química. PROIRQ; Argentina
Fil: Taulamet, María José. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Centro de Investigación y Desarrollo En Ciencias Aplicadas; Argentina. Facultad de Ingeniería. Departamento de Ingeniería Química. PROIRQ; Argentina
Fil: Keegan, Sergio Dario. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Centro de Investigación y Desarrollo En Ciencias Aplicadas; Argentina
Fil: Barreto, Guillermo Fernando. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Centro de Investigación y Desarrollo En Ciencias Aplicadas; Argentina. Facultad de Ingeniería. Departamento de Ingeniería Química. PROIRQ; Argentina
Fil: Mariani, Nestor Javier. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Centro de Investigación y Desarrollo En Ciencias Aplicadas; Argentina. Facultad de Ingeniería. Departamento de Ingeniería Química. PROIRQ; Argentina
description This contribution undertakes the evaluation of one-dimensional (1D) models to approximate the behavior of actual three-dimensional (3D) catalyst pellets, in the case of abnormal kinetics and close to the limit of steady state multiplicity. Two 1D models are tested: a one parameter model, called generalized cylinder (1D-GC) and a three parameter model termed the variable diffusivity (1D-VD) model. A representative set of shapes presented by commercial catalytic pellets was selected to study the performance of the models to predict effective reaction rates. Kinetics expressions covering typical cases of thermal and self-inhibition effects have been considered. Predictions of effectiveness factor using 1D-GC and 1D-VD models are compared with numerical results obtained from the Comsol Multiphysics environment for the 3D pellets. The simpler 1D-GC model can lead to maximum errors exceeding 40%, while the 1D-VD model reduces them to a level of 10%.
publishDate 2013
dc.date.none.fl_str_mv 2013-04-30
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/11336/4621
Martinez, Osvaldo Miguel; Taulamet, María José; Keegan, Sergio Dario; Barreto, Guillermo Fernando; Mariani, Nestor Javier; Prediction of effectiveness factor using one-dimensional approximations for complex pellet shapes and abnormal kinetics expressions; American Chemical Society; Industrial & Engineering Chemical Research; 52; 44; 30-4-2013; 15321-15329
0888-5885
url http://hdl.handle.net/11336/4621
identifier_str_mv Martinez, Osvaldo Miguel; Taulamet, María José; Keegan, Sergio Dario; Barreto, Guillermo Fernando; Mariani, Nestor Javier; Prediction of effectiveness factor using one-dimensional approximations for complex pellet shapes and abnormal kinetics expressions; American Chemical Society; Industrial & Engineering Chemical Research; 52; 44; 30-4-2013; 15321-15329
0888-5885
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1021/ie4005805
info:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/abs/10.1021/ie4005805
info:eu-repo/semantics/altIdentifier/issn/0888-5885
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
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
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
_version_ 1844614250415259648
score 13.070432

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