A Comprehensive Chemical Kinetic Reaction Mechanism for Oxidation and Pyrolysis of Propane and Propene

Abstract

Abstract Abstract—A detailed chemical kinetic reaction mechanism is developed to describe the oxidation and pyrolysis of propane and propene. The mechanism consists of 163 elementary reactions among 4l chemical species. New rate expressions are developed for a number of reactions of propane, propene, and intermediate hydrocarbon species with radicals including H, 0, and OH. The mechanism is tested by comparisons between computed and experimental results in shock tubes and the turbulent flow reactor. The resulting comprehensive mechanism accurately reproduces experimental data for pressures from 1 to 15 atmospheres, temperatures from 1000 to 1700 K, and fuel-oxidizer equivalence ratios from 0.066 to pyrolysis conditions. The mechanism also predicts correctly laminar flame properties for propane and propene, and detonation properties for propane.