Catalytic resonance theory: parallel reaction pathway control
M. Alexander Ardagh, Manish Shetty, Anatoliy Kuznetsov, Qi Zhang, Phillip Christopher, Dionisios G. Vlachos, Omar Abdelrahman, Paul J. Dauenhauer
Abstract
Hz frequency) to control the extent of competing reactions occurring on the shared catalytic surface. Simulation of multiple parallel reaction systems with broad range of variation in chemical parameters revealed that parallel chemistries are highly tunable in selectivity between either pure product, even when specific products are not selectively produced under static conditions. Two mechanisms leading to dynamic selectivity control were identified: (i) surface thermodynamic control of one product species under strong binding conditions, or (ii) catalytic resonance of the kinetics of one reaction over the other. These dynamic parallel pathway control strategies applied to a host of simulated chemical conditions indicate significant potential for improving the catalytic performance of many important industrial chemical reactions beyond their existing static performance.