Experimental and kinetic modeling studies on low-temperature oxidation of 1-decene in a jet-stirred reactor

Abstract

Olefins are important components in gasoline fuels as well as essential intermediates in the combustion of carbon-based fuels and oxy-fuels. Therefore, it is essential to investigate the oxidation chemistry of olefins, especially of long-chain olefins, to gain a deeper insight into the combustion of these fuels. 1-Decene is an important industrial chemical product and is often regarded as one of the representatives of long-chain olefins. This work investigated the low-temperature oxidation of 1-decene in a jet-stirred reactor with atmospheric pressure, temperature range of 700 – 900 K and equivalence ratio of 1.0. Twelve main oxidation species were detected and measured, by gas chromatography-mass spectrometry, including carbon dioxide, ethylene, ethane, acrolein, 1,3-butadiene, 1-butene, 1-pentene and benzene, etc. Based on previous reports, a detailed low-temperature oxidation kinetic model of 1-decene was developed and validated against the experimental data and literature data. In the model of 1-decene, the rate of production analysis revealed that the majority of 1-decene was consumed by H-abstractions to generate the primary radicals and OH-addition reaction onto C(1) to generate 1-decanol-2-yl radical. Sensitivity analyses show that H₂O₂ (+ M) = OH + OH (+ M) was the most sensitive reaction to promote 1-decene consumption. The decomposition of hydrogen peroxide was the main source of the hydroxyl radical. Simulation results indicate that ignition delay time of 1-decene is higher than that of n-decane in the low-temperature at equivalence ratios of 0.5 – 2.0 and pressure of 20, 40 bar.