A genetically optimized kinetic model for ethanol electro-oxidation on Pt-based binary catalysts used in direct ethanol fuel cells

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dc.contributor.author Sánchez Monreal, Juan
dc.contributor.author García-Salaberri, Pablo A.
dc.contributor.author Vera Coello, Marcos
dc.date.accessioned 2022-02-21T08:41:38Z
dc.date.available 2022-02-21T08:41:38Z
dc.date.issued 2017-09-30
dc.identifier.bibliographicCitation Sánchez-Monreal, J., García-Salaberri, P. A. & Vera, M. (2017). A genetically optimized kinetic model for ethanol electro-oxidation on Pt-based binary catalysts used in direct ethanol fuel cells. Journal of Power Sources, 363, 341–355.
dc.identifier.issn 0378-7753
dc.identifier.uri http://hdl.handle.net/10016/34170
dc.description.abstract A one-dimensional model is proposed for the anode of a liquid-feed direct ethanol fuel cell. The complex kinetics of the ethanol electro-oxidation reaction is described using a multi-step reaction mechanism that considers free and adsorbed intermediate species on Pt-based binary catalysts. The adsorbed species are modeled using coverage factors to account for the blockage of the active reaction sites on the catalyst surface. The reaction rates are described by Butler-Volmer equations that are coupled to a onedimensional mass transport model, which incorporates the effect of ethanol and acetaldehyde crossover. The proposed kinetic model circumvents the acetaldehyde bottleneck effect observed in previous studies by incorporating CH3CHOHads among the adsorbed intermediates. A multi-objetive genetic algorithm is used to determine the reaction constants using anode polarization and product selectivity data obtained from the literature. By adjusting the reaction constants using the methodology developed here, different catalyst layers could be modeled and their selectivities could be successfully reproduced.
dc.description.sponsorship This work has been partially supported by Projects ENE2011-24574 and ENE2015-68703-C2-1-R (MINECO/FEDER, UE). We would like to thank Dr. José J. Linares for his initial suggestion to work on this problem, and Dr. J. Gómez-Hernandez for helpful comments and discussions.
dc.format.extent 15
dc.language.iso eng
dc.publisher Elsevier
dc.rights © 2017 Elsevier B.V. All rights reserved.
dc.rights Atribución-NoComercial-SinDerivadas 3.0 España
dc.rights.uri http://creativecommons.org/licenses/by-nc-nd/3.0/es/
dc.subject.other DEFC modeling
dc.subject.other Ethanol electro-oxidation
dc.subject.other Reaction mechanism
dc.subject.other Coverage factors
dc.subject.other Product selectivity
dc.subject.other Genetic optimization
dc.title A genetically optimized kinetic model for ethanol electro-oxidation on Pt-based binary catalysts used in direct ethanol fuel cells
dc.type article
dc.subject.eciencia Energías Renovables
dc.subject.eciencia Ingeniería Mecánica
dc.identifier.doi https://doi.org/10.1016/j.jpowsour.2017.07.069
dc.rights.accessRights openAccess
dc.relation.projectID Gobierno de España. ENE2011-24574
dc.relation.projectID Gobierno de España. ENE2015-68703-C2-1-R
dc.type.version acceptedVersion
dc.identifier.publicationfirstpage 341
dc.identifier.publicationlastpage 355
dc.identifier.publicationtitle Journal of Power Sources
dc.identifier.publicationvolume 363
dc.identifier.uxxi AR/0000020535
dc.contributor.funder Ministerio de Economía y Competitividad (España)
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