TY  - GEN
AV  - public
Y1  - 2010///
TI  - Modeling and experimental validation of CO heterogeneous chemistry and electrochemistry in solid oxide fuel cells
KW  - Solid oxide fuel cells 
KW  -  carbon monoxide oxidation 
KW  -  electrochemistry 
KW  -  elementary kinetics
ID  - heidok11445
A1  - Yurkiv, Vitaliy
UR  - https://archiv.ub.uni-heidelberg.de/volltextserver/11445/
N2  - 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.
ER  -