KINETIC MODELING OF PROPANE OXIDATION AND PYROLYSIS

Propane oxidation in jet-stirred reactor was modeled using a comprehensive kinetic reaction mechanism including the most recent findings concerning the kinetics of the reactions involved in the oxidation of C1 - C4 hydrocarbons. The present detailed mechanism is able to reproduce experimental species concentration profiles obtained in our high-pressure jet-stirred reactor (900 less-than-or-equal-to T/K less-than-or-equal-to 1200; 1 less-than-or-equal-to P/atm less-than-or-equal-to 10; 0.15 less-than-or-equal-to phi less-than-or-equal-to 4) and in a turbulent flow reactor at 1 atm; ignition delay times measured in shock tube (1200 less-than-or-equal-to T/K less-than-or-equal-to 1700; 2 less-than-or-equal-to P/atm less-than-or-equal-to 15; 0.125 less-than-or-equal-to phi less-than-or-equal-to 2); H-atoms concentrations measured in shock tube during the pyrolysis of propane and burning velocities of freely propagating premixed propane-air laminar flames. The computed results are discussed in terms of pressure and equivalence ratio (phi) effects on propane oxidation. The same detailed kinetic reaction mechanism can also be used to model the oxidation of methane, ethylene, ethane, and propene in similar conditions.