A mathematical model for direct ethanol fuel cells based on detailed ethanol electro-oxidation kinetics

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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 2022-02-22T11:13:14Z
dc.date.available 2022-02-22T11:13:14Z
dc.date.issued 2019-10-01
dc.identifier.bibliographicCitation Sánchez-Monreal, J., García-Salaberri, P. A. & Vera, M. (2019). A mathematical model for direct ethanol fuel cells based on detailed ethanol electro-oxidation kinetics. Applied Energy, 251, 113264.
dc.identifier.issn 0306-2619
dc.identifier.uri http://hdl.handle.net/10016/34200
dc.description.abstract This paper presents an isothermal, single-phase model for direct ethanol fuel cells. The ethanol electro-oxidation reaction is described using a detailed kinetic model that is able to predict anode polarization and product selectivity data. The anode kinetic model is coupled to a one-dimensional (1D) description for mass and charge transport across the membrane electrode assembly, which accounts for the mixed potential induced in the cathode catalyst layer by the crossover of ethanol and acetaldehyde. A simple 1D advection model is used to describe the spatial variation of the concentrations of the different species as well as the output and parasitic current densities along the flow channels. The proposed 1D + 1D model includes two adjustable parameters that are fitted by a genetic algorithm in order to reproduce previous experimental data. The calibrated model is then used to investigate the consumption of ethanol and the production, accumulation and consumption of acetaldehyde along the flow channels, which yields the product selectivity at different channel cross-sections. A parametric study is also presented for varying ethanol feed concentrations and flow rates. The results obtained under ethanol starvation conditions highlight the role of acetaldehyde as main free intermediate, which is first produced and later consumed once ethanol is fully depleted. The detailed kinetic description of the ethanol oxidation reaction enables the computation of the four efficiencies (i.e., theoretical, voltage, faradaic, end energy utilization) that characterize the operation of direct ethanol fuel cells, thus allowing to present overall fuel efficiency vs. cell current density curves for the first time.
dc.description.sponsorship This work has been supported by Project ENE2015-68703-C2-1-R (MINECO/FEDER, UE). P.A. García-Salaberri also thanks the support from the research grant "Ayudas a la Investigación en Energía y Medio Ambiente" of the Spanish Iberdrola Foundation and the support from the US-Spain Fulbright Commission during his stay at Lawrence Berkeley National Lab.
dc.format.extent 23
dc.language.iso eng
dc.publisher Elsevier
dc.rights © 2019 Elsevier Ltd. 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 Detailed EOR kinetics
dc.subject.other Direct ethanol PEM fuel cells
dc.subject.other Energy utilization
dc.subject.other Faradic efficiency
dc.subject.other Modeling
dc.subject.other Product selectivity
dc.title A mathematical model for direct ethanol fuel cells based on detailed ethanol electro-oxidation kinetics
dc.type article
dc.subject.eciencia Ingeniería Industrial
dc.subject.eciencia Ingeniería Mecánica
dc.identifier.doi https://doi.org/10.1016/j.apenergy.2019.05.067
dc.rights.accessRights openAccess
dc.relation.projectID Gobierno de España. ENE2015-68703-C2-1-R
dc.type.version acceptedVersion
dc.identifier.publicationfirstpage 113264-1
dc.identifier.publicationlastpage 113264-23
dc.identifier.publicationtitle Applied Energy
dc.identifier.publicationvolume 251
dc.identifier.uxxi AR/0000024532
dc.contributor.funder Ministerio de Economía y Competitividad (España)
dc.affiliation.dpto UC3M. Departamento de Ingeniería Térmica y de Fluidos
dc.affiliation.grupoinv UC3M. Grupo de Investigación: Mecánica de Fluidos
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