Mechanism of propane oxidation–mathematical modeling

Mathematical modeling was used for the kinetics of gas-phase propane oxidation at 586, 613, and 658 K and pressures 172 and 250 torr. The reaction mechanism involving branching by decay of the peracetyl peroxy radical, and oxygen-containing products formed on decay of the RO₄ radical is discussed. Fair agreement between calculated and experimental results on the kinetics and accumulation rates of reaction products was obtained.