Chemical Physics Letters, Vol.730, 247-252, 2019
Comparative study of the behavior of the prox reaction on a metallic catalyst and a copper-ceria catalyst. Monte Carlo simulations
The different qualitative and quantitative behaviors of copper-ceria (dual surface) and supported noble metal catalysts for the PROX reaction are compared. Through Monte Carlo simulations the effect of temperature on productivity, the reaction order on the components of the gas phase and the evolution of the different surface species during the process are studied.