Coupling K convection-diffusion and Laplace equations in an open-source CFD model for tertiary current distribution calculations

Autores
Colli, Alejandro Nicolás; Bisang, Jose Maria
Año de publicación
2019
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
A mathematical model to calculate tertiary current distributions in electrochemical reactors is presented taking into account the potential and concentration fields together with the hydrodynamics under laminar or turbulent conditions. Multiple reactions with different kinetic controls are considered at both electrodes. The computational algorithm solving the model was implemented in OpenFOAM. It allows the calculations for a given local potential at the working electrode, potentiostatic control, or for a fixed cell potential difference and also for a current flowing through the cell, galvanostatic operation. The model was validated by using the reduction of ferricyanide and the oxidation of ferrocyanide from dilute solutions as main test reactions and hydrogen and oxygen evolution as secondary ones, in a modified hydrocyclone. A close agreement between experimental and predicted current distributions was obtained. The hydrocyclone presents a promising electrochemical performance being the mass-transfer conditions in its cylindrical part better than in the conical region. The computational tool developed in this paper can be employed to optimize both cells stack design and system operation conditions. Likewise, the algorithm can also be used to check, when limiting current studies are needed, whether the desired reaction is under mass-transfer or charge-transfer control for a given geometric configuration.
Fil: Colli, Alejandro Nicolás. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Programa de Electroquímica Aplicada e Ingeniería Electroquímica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Fil: Bisang, Jose Maria. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Programa de Electroquímica Aplicada e Ingeniería Electroquímica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Materia
ELECTROCHEMICAL REACTORS
TERTIARY CURRENT DISTRIBUTION
OPENFOAM
HYDROCYCLONE
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/150891
Acceder
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network_acronym_str CONICETDig
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network_name_str CONICET Digital (CONICET)
spelling Coupling K convection-diffusion and Laplace equations in an open-source CFD model for tertiary current distribution calculationsColli, Alejandro NicolásBisang, Jose MariaELECTROCHEMICAL REACTORSTERTIARY CURRENT DISTRIBUTIONOPENFOAMHYDROCYCLONEhttps://purl.org/becyt/ford/2.4https://purl.org/becyt/ford/2A mathematical model to calculate tertiary current distributions in electrochemical reactors is presented taking into account the potential and concentration fields together with the hydrodynamics under laminar or turbulent conditions. Multiple reactions with different kinetic controls are considered at both electrodes. The computational algorithm solving the model was implemented in OpenFOAM. It allows the calculations for a given local potential at the working electrode, potentiostatic control, or for a fixed cell potential difference and also for a current flowing through the cell, galvanostatic operation. The model was validated by using the reduction of ferricyanide and the oxidation of ferrocyanide from dilute solutions as main test reactions and hydrogen and oxygen evolution as secondary ones, in a modified hydrocyclone. A close agreement between experimental and predicted current distributions was obtained. The hydrocyclone presents a promising electrochemical performance being the mass-transfer conditions in its cylindrical part better than in the conical region. The computational tool developed in this paper can be employed to optimize both cells stack design and system operation conditions. Likewise, the algorithm can also be used to check, when limiting current studies are needed, whether the desired reaction is under mass-transfer or charge-transfer control for a given geometric configuration.Fil: Colli, Alejandro Nicolás. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Programa de Electroquímica Aplicada e Ingeniería Electroquímica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; ArgentinaFil: Bisang, Jose Maria. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Programa de Electroquímica Aplicada e Ingeniería Electroquímica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; ArgentinaElectrochemical Society2019-10info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/150891Colli, Alejandro Nicolás; Bisang, Jose Maria; Coupling K convection-diffusion and Laplace equations in an open-source CFD model for tertiary current distribution calculations; Electrochemical Society; Journal of the Electrochemical Society; 167; 1; 10-2019; 13513-135130013-4651CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://jes.ecsdl.org/lookup/doi/10.1149/2.0132001JESinfo:eu-repo/semantics/altIdentifier/doi/10.1149/2.0132001JESinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:33:05Zoai:ri.conicet.gov.ar:11336/150891instacron: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:34982025-10-22 11:33:05.268CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Coupling K convection-diffusion and Laplace equations in an open-source CFD model for tertiary current distribution calculations
title Coupling K convection-diffusion and Laplace equations in an open-source CFD model for tertiary current distribution calculations
spellingShingle Coupling K convection-diffusion and Laplace equations in an open-source CFD model for tertiary current distribution calculations
Colli, Alejandro Nicolás
ELECTROCHEMICAL REACTORS
TERTIARY CURRENT DISTRIBUTION
OPENFOAM
HYDROCYCLONE
title_short Coupling K convection-diffusion and Laplace equations in an open-source CFD model for tertiary current distribution calculations
title_full Coupling K convection-diffusion and Laplace equations in an open-source CFD model for tertiary current distribution calculations
title_fullStr Coupling K convection-diffusion and Laplace equations in an open-source CFD model for tertiary current distribution calculations
title_full_unstemmed Coupling K convection-diffusion and Laplace equations in an open-source CFD model for tertiary current distribution calculations
title_sort Coupling K convection-diffusion and Laplace equations in an open-source CFD model for tertiary current distribution calculations
dc.creator.none.fl_str_mv Colli, Alejandro Nicolás
Bisang, Jose Maria
author Colli, Alejandro Nicolás
author_facet Colli, Alejandro Nicolás
Bisang, Jose Maria
author_role author
author2 Bisang, Jose Maria
author2_role author
dc.subject.none.fl_str_mv ELECTROCHEMICAL REACTORS
TERTIARY CURRENT DISTRIBUTION
OPENFOAM
HYDROCYCLONE
topic ELECTROCHEMICAL REACTORS
TERTIARY CURRENT DISTRIBUTION
OPENFOAM
HYDROCYCLONE
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.4
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv A mathematical model to calculate tertiary current distributions in electrochemical reactors is presented taking into account the potential and concentration fields together with the hydrodynamics under laminar or turbulent conditions. Multiple reactions with different kinetic controls are considered at both electrodes. The computational algorithm solving the model was implemented in OpenFOAM. It allows the calculations for a given local potential at the working electrode, potentiostatic control, or for a fixed cell potential difference and also for a current flowing through the cell, galvanostatic operation. The model was validated by using the reduction of ferricyanide and the oxidation of ferrocyanide from dilute solutions as main test reactions and hydrogen and oxygen evolution as secondary ones, in a modified hydrocyclone. A close agreement between experimental and predicted current distributions was obtained. The hydrocyclone presents a promising electrochemical performance being the mass-transfer conditions in its cylindrical part better than in the conical region. The computational tool developed in this paper can be employed to optimize both cells stack design and system operation conditions. Likewise, the algorithm can also be used to check, when limiting current studies are needed, whether the desired reaction is under mass-transfer or charge-transfer control for a given geometric configuration.
Fil: Colli, Alejandro Nicolás. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Programa de Electroquímica Aplicada e Ingeniería Electroquímica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Fil: Bisang, Jose Maria. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Programa de Electroquímica Aplicada e Ingeniería Electroquímica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
description A mathematical model to calculate tertiary current distributions in electrochemical reactors is presented taking into account the potential and concentration fields together with the hydrodynamics under laminar or turbulent conditions. Multiple reactions with different kinetic controls are considered at both electrodes. The computational algorithm solving the model was implemented in OpenFOAM. It allows the calculations for a given local potential at the working electrode, potentiostatic control, or for a fixed cell potential difference and also for a current flowing through the cell, galvanostatic operation. The model was validated by using the reduction of ferricyanide and the oxidation of ferrocyanide from dilute solutions as main test reactions and hydrogen and oxygen evolution as secondary ones, in a modified hydrocyclone. A close agreement between experimental and predicted current distributions was obtained. The hydrocyclone presents a promising electrochemical performance being the mass-transfer conditions in its cylindrical part better than in the conical region. The computational tool developed in this paper can be employed to optimize both cells stack design and system operation conditions. Likewise, the algorithm can also be used to check, when limiting current studies are needed, whether the desired reaction is under mass-transfer or charge-transfer control for a given geometric configuration.
publishDate 2019
dc.date.none.fl_str_mv 2019-10
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/11336/150891
Colli, Alejandro Nicolás; Bisang, Jose Maria; Coupling K convection-diffusion and Laplace equations in an open-source CFD model for tertiary current distribution calculations; Electrochemical Society; Journal of the Electrochemical Society; 167; 1; 10-2019; 13513-13513
0013-4651
CONICET Digital
CONICET
url http://hdl.handle.net/11336/150891
identifier_str_mv Colli, Alejandro Nicolás; Bisang, Jose Maria; Coupling K convection-diffusion and Laplace equations in an open-source CFD model for tertiary current distribution calculations; Electrochemical Society; Journal of the Electrochemical Society; 167; 1; 10-2019; 13513-13513
0013-4651
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://jes.ecsdl.org/lookup/doi/10.1149/2.0132001JES
info:eu-repo/semantics/altIdentifier/doi/10.1149/2.0132001JES
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Electrochemical Society
publisher.none.fl_str_mv Electrochemical 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
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score 12.982451

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