Radical mechanism for the gas-phase thermal decomposition of propane

The primary objective of this study is to develop a compact kinetic mechanism that could quantitatively characterize propane conversion and production of the major products during propane pyrolysis. This scheme is suggested for complex CFD modeling at temperature range from 500 to 700 °C and atmospheric pressure. These predictions are important for a large-scale transition from laboratory to demonstration units. The compact chemical kinetic scheme consisting of 17 species and 18 elementary steps was built on the basis of the classical theory of cycle radical chain reactions in which propane pyrolysis products are formed. The predictions fit well the experimental data obtained for a tubular plug flow reactor at constant total pressure.