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
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/150891
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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 Técnicas2025-09-29T10:03:17Zoai: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:34982025-09-29 10:03:18.07CONICET 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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1844613847094132736 |
score |
13.070432 |