Elementary Kinetic Numerical Simulation of Electrochemical CO Oxidation on Ni/YSZ Pattern Anodes

Abstract

Results of a numerical simulation analysis of recent experimental data obtained in a comprehensive study of electrochemical CO oxidation on well-defined Ni/YSZ patterned model anodes [Utz et al. J. Power Sources, doi:10.1016/ j.powsour. 20.10.056 (2010)] are presented. A computational model representing the coupled behavior of heterogeneous chemistry and electrochemistry in terms of elementary reactions was developed, which allows for a quantitative description of the complete experimental data set, which covers a wide range of CO/CO2 gas compositions (4.0·102 Pa ≤ pCO ≤ 5.1·104 Pa and 9.5·102 Pa ≤ pCO2 ≤ 9.2·104 Pa) and operating temperatures (973 K ≤ T ≤ 1073 K). In the framework of the presented model a direct mechanistic interpretation of the experimentally observed electrochemical characteristics is obtained.