(37f) Propane Pyrolysis Facilitated By Phenyl Radicals: A Combined Experimental and Kinetic Modeling Study

Neat propane pyrolysis and pyrolysis facilitated by phenyl radicals were performed in a plug flow reactor over a temperature range between 550 °C and 650 °C. The experimental results showed that phenyl facilitated propane pyrolysis gave higher propane conversion over neat reactions, with yields of all products increased. However, the selectivity of propylene in phenyl facilitated propane pyrolysis decreased compared to that in neat pyrolysis. Results of kinetic modeling agree well with experimental data, and the model shows that phenyl radicals abstract hydrogen atoms from propane and accelerate the formation rates of normal and iso-C₃H₇ radicals (i.e., n-C3H7 and i-C3H7 radicals), which are the main precursors for the production of ethylene and propylene, respectively. The model also suggests that the decreased propylene selectivity in phenyl facilitated pyrolysis is resulted from the relative abundance of n-C₃H₇ to i-C₃H₇ radicals and the increased rates of secondary reactions converting propane into ethylene and methane, also facilitated by the increased concentration of i-C₃H₇ radicals.