Ethylene pyrolysis and oxidation: A kinetic modeling study

Abstract

Abstract Ethylene oxidation and pyrolysis was modeled using a comprehensive kinetic reaction mechanism. This mechanism is an updated version of one developed earlier. It includes the most recent findings concerning the kinetics of the reactions involved in the oxidation of ethylene. The proposed mechanism was tested against ethylene oxidation experimental data (molecular species concentration profiles) obtained in jet stirred reactors (1–10 atm, 880–1253 K), ignition delay times measured in shock tubes (0.2–12 atm, 1058–2200 K) and ethylene pyrolysis data in shock tube (2–6 atm, 1700–2200 K). The general prediction of concentration profiles of minor species formed during ethylene oxidation is improved in the present model by using more accurate kinetic data for several reactions (principally: HO 2 + HO 2 → H 2 O 2 + O 2 , C 2 H 4 + OH → C 2 H 3 + H 2 O, C 2 H 2 + OH → Products, C 2 H 3 → C 2 H 2 + H).