Kinetic study of 1-butene oxidation in a jet-stirred flow reactor

Abstract

An analytical study of the oxidation of 1-butene in a jet stirred flow reactor is presented. The experiments were conducted in the temperature range 900–1200 K at pressures extending from 1 to 10 atm for a wide range of fuel-oxygen equivalence ratios (0.15 to 4.0). The concentrations of molecular species were measured at different extents of reaction by gas chromatography. The main hydrocarbon intermediates were ethylene, propene, methane, 1–3 butadiene and ethane. Several other unsaturated hydrocarbons were also detected as minor products, among them cis and trans 2-butenes. A chemical kinetic reaction mechanism developed previously and extended to reproduce the experimental data is detailed, and the main reaction sequences are discussed. However, several aspects of the mechanism remain not well characterised. Among them, the reactions consuming 1-butene are essential for the development of the reaction process. The presence of 1,3-butadiene in significant concentration is an interesting observation of the present experimental study. Although it is formed for a large part by reation C2H4+C2H3=C4H6+H the contribution of C4H7 reactions is important. This means that H abstraction from 1-butene is a major process removing this compound. However, addition reactions to the double bond are also invocated, and the importance of these processes is not elucidated.