title: Modeling and experimental validation of CO heterogeneous chemistry and electrochemistry in solid oxide fuel cells
creator: Yurkiv, Vitaliy
subject: ddc-540
subject: 540 Chemistry and allied sciences
description: In the present work experimental and numerical modeling studies of the heterogeneously catalyzed and electrochemical oxidation of CO at Nickel/yttria-stabilized zirconia (YSZ) solid oxide fuel cell (SOFC) anode systems were performed to evaluate elementary charge-transfer reaction mechanisms taking place at the three-phase boundary of CO/CO2 gas-phase, Ni electrode, and YSZ electrolyte. Temperature-programmed desorption and reaction experiments along with density functional theory calculations were performed to determine adsorption/desorption and surface diffusion kinetics as well as thermodynamic data for the CO/CO2/Ni and CO/CO2/YSZ systems. Based on these data elementary reaction based models with four different charge transfer mechanisms for the electrochemical CO oxidation were developed and applied in numerical simulations of literature experimental electrochemical data such as polarization curves and impedance spectra. Comparison between simulation and experiment demonstrated that only one of the four charge transfer mechanisms can consistently reproduce the electrochemical data over a wide range of operating temperatures and CO/CO2 gas compositions.
date: 2010
type: Dissertation
type: info:eu-repo/semantics/doctoralThesis
type: NonPeerReviewed
format: application/pdf
identifier: https://archiv.ub.uni-heidelberg.de/volltextserverhttps://archiv.ub.uni-heidelberg.de/volltextserver/11445/1/Yurkiv_PhDCorrected.pdf
identifier: DOI:10.11588/heidok.00011445
identifier: urn:nbn:de:bsz:16-opus-114453
identifier:   Yurkiv, Vitaliy  (2010) Modeling and experimental validation of CO heterogeneous chemistry and electrochemistry in solid oxide fuel cells.  [Dissertation]     
relation: https://archiv.ub.uni-heidelberg.de/volltextserver/11445/
rights: info:eu-repo/semantics/openAccess
rights: http://archiv.ub.uni-heidelberg.de/volltextserver/help/license_urhg.html
language: eng