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It's a Gas: Oxidative Dehydrogenation of Propane over Boron Nitride Catalysts
preprintrevised on 07.01.2021, 11:28 and posted on 08.01.2021, 04:50 by Peter Kraus, R. Peter Lindstedt
We investigate the role of gas-phase phenomena in the heterogeneous oxidative dehydrogenation of propane over hexagonal boron nitride. We apply a recently developed gas-phase combustion model for low-temperature combustion of propane and couple it with several surface microkinetic mechanisms to probe the selectivity limits using the open-source flame solver Cantera. We show that while the conversion of propane is surface-driven, the selectivities are significantly influenced by the gas-phase, especially when dilute catalyst beds are used.