Chemical Kinetics Investigations of Dibutyl Ether Isomers Oxidation in a Laminar Flow Reactor

The combustion kinetics of three symmetric diesel-boiling-range ether isomers were investigated experimentally using a plug flow reactor. The isomers were di-n-butyl ether (DNBE), diisobutyl ether (DIBE), and di-sec-butyl ether (DSBE). The flow reactor experiments employed oxygen as the oxidizer and helium as the diluent, with oxidation carried out at atmospheric and elevated pressure conditions and temperatures from 400 to 1000 at 20 K intervals. The fuel, oxidizer, and diluent flow rates were varied at different temperatures to maintain a constant initial fuel mole fraction of 1000 ppm under stoichiometric conditions and a residence time of 2 s. Reaction products were analyzed by gas chromatography (GC). Depending on the structure, ethers showed different degrees of negative temperature coefficient (NTC) behavior. Speciation results from the GC analysis were then compared to simulations using existing and newly developed chemical kinetic models. Most of the simulated product concentrations showed reasonable agreement with the experimental data. The chemical kinetic models were utilized to elucidate key features of the reactivity and NTC behavior of the different isomers. The chemical kinetic analysis indicates that the combustion behaviors of the three isomers are influenced by the key species formed at the low-temperature reaction regime. The key species identified for DNBE, DIBE, and DSBE at atmospheric pressure are n-butanal, isobutanal, and sec-butanol, respectively.