Original Monte Carlo method for analysis of oxygen mobility in complex oxides by simulation of oxygen isotope exchange data

摘要

The kinetics of 16O/18O isotopic exchange over CeO2-ZrO2 and CeO2-ZrO2-La2O3 were investigated at T=923 K and P=760 Torr by original Monte Carlo method simulating these processes in the time mode of real transient kinetic experiments. The rate constants of the elementary stages of isotopic exchange giving excellent agreement between calculated and experimental isotopic transient curves were found. Preliminary results for modeling isotopic exchange over Pt/CeO2-ZrO2 and Pt/CeO2-ZrO2-La2O3 were also obtained and discussed.