Estimation of RWGS Kinetic Parameters for Methanol Production

Autores
Costilla, Ignacio Oscar; Genovese, Constanza; Gigola, Carlos Eugenio; Brignole, Nélida Beatriz
Año de publicación
2021
Idioma
inglés
Tipo de recurso
parte de libro
Estado
versión publicada
Descripción
The hydrogenation process of Natural Gas (NG) with high CO2 content can potentially be employed for a novel process of methanol production that avoids CO2 extraction and emission, at the same time yielding high CO2 conversion to methanol. However, the required hydrogenation reactor has not yet been designed in detail because kinetic information of the Reverse Water Gas Shift (RWGS) reaction, which is indispensable for its simulation, is unavailable. In this paper, the kinetics of the RWGS reaction over a Pd-Ce/α-Al2O3 catalyst is analyzed for mixtures of CO2-CH4-H2. The reaction rate expression is experimentally obtained using an isothermal fixed-bed reactor at 600 °C and 1.62 bar. The experimental results demonstrated the absence of the dry reforming reaction and a negligible activity for methanation. The mass balance equation for a pseudo-homogeneous one-dimension reactor model was solved firstly assuming a power-law (PL) model and then, a Langmuir-Hinshelwood-Hougen-Watson (LH-HW) approach in order to obtain the kinetic parameters. By pre-processing the data set with an evolutionary algorithm before applying the Levenberg-Marquardt method, satisfactory results were obtained. The achieved rate equations will be useful to carry out improvements in the simulation and economic analysis of the process of interest.
Fil: Costilla, Ignacio Oscar. Universidad Nacional del Sur. Departamento de Ciencias e Ingeniería de la Computación. Laboratorio de Investigación y Desarrollo en Computación Científica; Argentina
Fil: Genovese, Constanza. 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. Universidad Nacional del Sur. Departamento de Ciencias e Ingeniería de la Computación. Laboratorio de Investigación y Desarrollo en Computación Científica; Argentina
Fil: Gigola, Carlos Eugenio. 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: Brignole, Nélida Beatriz. 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. Universidad Nacional del Sur. Departamento de Ciencias e Ingeniería de la Computación. Laboratorio de Investigación y Desarrollo en Computación Científica; Argentina
Materia
KINETICS
LEVENBERG MARQUARD
CO2
RWGS
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:11336/138113
Acceder
id CONICETDig_af70356bebc21b3211e88ecfeb933bb0
oai_identifier_str oai:ri.conicet.gov.ar:11336/138113
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Estimation of RWGS Kinetic Parameters for Methanol ProductionCostilla, Ignacio OscarGenovese, ConstanzaGigola, Carlos EugenioBrignole, Nélida BeatrizKINETICSLEVENBERG MARQUARDCO2RWGShttps://purl.org/becyt/ford/2.4https://purl.org/becyt/ford/2The hydrogenation process of Natural Gas (NG) with high CO2 content can potentially be employed for a novel process of methanol production that avoids CO2 extraction and emission, at the same time yielding high CO2 conversion to methanol. However, the required hydrogenation reactor has not yet been designed in detail because kinetic information of the Reverse Water Gas Shift (RWGS) reaction, which is indispensable for its simulation, is unavailable. In this paper, the kinetics of the RWGS reaction over a Pd-Ce/α-Al2O3 catalyst is analyzed for mixtures of CO2-CH4-H2. The reaction rate expression is experimentally obtained using an isothermal fixed-bed reactor at 600 °C and 1.62 bar. The experimental results demonstrated the absence of the dry reforming reaction and a negligible activity for methanation. The mass balance equation for a pseudo-homogeneous one-dimension reactor model was solved firstly assuming a power-law (PL) model and then, a Langmuir-Hinshelwood-Hougen-Watson (LH-HW) approach in order to obtain the kinetic parameters. By pre-processing the data set with an evolutionary algorithm before applying the Levenberg-Marquardt method, satisfactory results were obtained. The achieved rate equations will be useful to carry out improvements in the simulation and economic analysis of the process of interest.Fil: Costilla, Ignacio Oscar. Universidad Nacional del Sur. Departamento de Ciencias e Ingeniería de la Computación. Laboratorio de Investigación y Desarrollo en Computación Científica; ArgentinaFil: Genovese, Constanza. 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. Universidad Nacional del Sur. Departamento de Ciencias e Ingeniería de la Computación. Laboratorio de Investigación y Desarrollo en Computación Científica; ArgentinaFil: Gigola, Carlos Eugenio. 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: Brignole, Nélida Beatriz. 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. Universidad Nacional del Sur. Departamento de Ciencias e Ingeniería de la Computación. Laboratorio de Investigación y Desarrollo en Computación Científica; ArgentinaAssociazione Italiana Di Ingegneria ChimicaPierucci, SauroKlemes, Jiří Jaromír2021info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/bookParthttp://purl.org/coar/resource_type/c_3248info:ar-repo/semantics/parteDeLibroapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/138113Costilla, Ignacio Oscar; Genovese, Constanza; Gigola, Carlos Eugenio; Brignole, Nélida Beatriz; Estimation of RWGS Kinetic Parameters for Methanol Production; Associazione Italiana Di Ingegneria Chimica; 86; 2021; 889-894978-88-95608-84-62283-9216CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.aidic.it/cet/21/86/149.htmlinfo:eu-repo/semantics/altIdentifier/url/http://www.cetjournal.it/cet/21/86/149.pdfinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:01:55Zoai:ri.conicet.gov.ar:11336/138113instacron: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 10:01:55.351CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Estimation of RWGS Kinetic Parameters for Methanol Production
title Estimation of RWGS Kinetic Parameters for Methanol Production
spellingShingle Estimation of RWGS Kinetic Parameters for Methanol Production
Costilla, Ignacio Oscar
KINETICS
LEVENBERG MARQUARD
CO2
RWGS
title_short Estimation of RWGS Kinetic Parameters for Methanol Production
title_full Estimation of RWGS Kinetic Parameters for Methanol Production
title_fullStr Estimation of RWGS Kinetic Parameters for Methanol Production
title_full_unstemmed Estimation of RWGS Kinetic Parameters for Methanol Production
title_sort Estimation of RWGS Kinetic Parameters for Methanol Production
dc.creator.none.fl_str_mv Costilla, Ignacio Oscar
Genovese, Constanza
Gigola, Carlos Eugenio
Brignole, Nélida Beatriz
author Costilla, Ignacio Oscar
author_facet Costilla, Ignacio Oscar
Genovese, Constanza
Gigola, Carlos Eugenio
Brignole, Nélida Beatriz
author_role author
author2 Genovese, Constanza
Gigola, Carlos Eugenio
Brignole, Nélida Beatriz
author2_role author
author
author
dc.contributor.none.fl_str_mv Pierucci, Sauro
Klemes, Jiří Jaromír
dc.subject.none.fl_str_mv KINETICS
LEVENBERG MARQUARD
CO2
RWGS
topic KINETICS
LEVENBERG MARQUARD
CO2
RWGS
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 hydrogenation process of Natural Gas (NG) with high CO2 content can potentially be employed for a novel process of methanol production that avoids CO2 extraction and emission, at the same time yielding high CO2 conversion to methanol. However, the required hydrogenation reactor has not yet been designed in detail because kinetic information of the Reverse Water Gas Shift (RWGS) reaction, which is indispensable for its simulation, is unavailable. In this paper, the kinetics of the RWGS reaction over a Pd-Ce/α-Al2O3 catalyst is analyzed for mixtures of CO2-CH4-H2. The reaction rate expression is experimentally obtained using an isothermal fixed-bed reactor at 600 °C and 1.62 bar. The experimental results demonstrated the absence of the dry reforming reaction and a negligible activity for methanation. The mass balance equation for a pseudo-homogeneous one-dimension reactor model was solved firstly assuming a power-law (PL) model and then, a Langmuir-Hinshelwood-Hougen-Watson (LH-HW) approach in order to obtain the kinetic parameters. By pre-processing the data set with an evolutionary algorithm before applying the Levenberg-Marquardt method, satisfactory results were obtained. The achieved rate equations will be useful to carry out improvements in the simulation and economic analysis of the process of interest.
Fil: Costilla, Ignacio Oscar. Universidad Nacional del Sur. Departamento de Ciencias e Ingeniería de la Computación. Laboratorio de Investigación y Desarrollo en Computación Científica; Argentina
Fil: Genovese, Constanza. 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. Universidad Nacional del Sur. Departamento de Ciencias e Ingeniería de la Computación. Laboratorio de Investigación y Desarrollo en Computación Científica; Argentina
Fil: Gigola, Carlos Eugenio. 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: Brignole, Nélida Beatriz. 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. Universidad Nacional del Sur. Departamento de Ciencias e Ingeniería de la Computación. Laboratorio de Investigación y Desarrollo en Computación Científica; Argentina
description The hydrogenation process of Natural Gas (NG) with high CO2 content can potentially be employed for a novel process of methanol production that avoids CO2 extraction and emission, at the same time yielding high CO2 conversion to methanol. However, the required hydrogenation reactor has not yet been designed in detail because kinetic information of the Reverse Water Gas Shift (RWGS) reaction, which is indispensable for its simulation, is unavailable. In this paper, the kinetics of the RWGS reaction over a Pd-Ce/α-Al2O3 catalyst is analyzed for mixtures of CO2-CH4-H2. The reaction rate expression is experimentally obtained using an isothermal fixed-bed reactor at 600 °C and 1.62 bar. The experimental results demonstrated the absence of the dry reforming reaction and a negligible activity for methanation. The mass balance equation for a pseudo-homogeneous one-dimension reactor model was solved firstly assuming a power-law (PL) model and then, a Langmuir-Hinshelwood-Hougen-Watson (LH-HW) approach in order to obtain the kinetic parameters. By pre-processing the data set with an evolutionary algorithm before applying the Levenberg-Marquardt method, satisfactory results were obtained. The achieved rate equations will be useful to carry out improvements in the simulation and economic analysis of the process of interest.
publishDate 2021
dc.date.none.fl_str_mv 2021
dc.type.none.fl_str_mv info:eu-repo/semantics/publishedVersion
info:eu-repo/semantics/bookPart
http://purl.org/coar/resource_type/c_3248
info:ar-repo/semantics/parteDeLibro
status_str publishedVersion
format bookPart
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/138113
Costilla, Ignacio Oscar; Genovese, Constanza; Gigola, Carlos Eugenio; Brignole, Nélida Beatriz; Estimation of RWGS Kinetic Parameters for Methanol Production; Associazione Italiana Di Ingegneria Chimica; 86; 2021; 889-894
978-88-95608-84-6
2283-9216
CONICET Digital
CONICET
url http://hdl.handle.net/11336/138113
identifier_str_mv Costilla, Ignacio Oscar; Genovese, Constanza; Gigola, Carlos Eugenio; Brignole, Nélida Beatriz; Estimation of RWGS Kinetic Parameters for Methanol Production; Associazione Italiana Di Ingegneria Chimica; 86; 2021; 889-894
978-88-95608-84-6
2283-9216
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://www.aidic.it/cet/21/86/149.html
info:eu-repo/semantics/altIdentifier/url/http://www.cetjournal.it/cet/21/86/149.pdf
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 Associazione Italiana Di Ingegneria Chimica
publisher.none.fl_str_mv Associazione Italiana Di Ingegneria Chimica
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 13.070432

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