Experimental and chemical kinetic study on the low temperature oxidation of 1,3-butadiene in a jet-stirred reactor

Species concentrations for 1,3-butadiene oxidation were measured in a jet-stirred reactor (JSR) at ϕ = 0.5, 1.0 and 2.0, at 1 atm, in the temperature range of 650 to 1200 K and the residence time of 2 s. AramcoMech 3.0 was modified based on the high-level quantum calculated rate coefficients published, including OH/H/HO₂ addition to 1,3-butadiene and subsequent reactions. The modified model was validated against the measured species concentrations in this work and ignition delay times, laminar flame speeds proposed in literatures. Good agreement with experimental data can be observed. In addition, kinetic investigation was carried out. Flux analysis and sensitivity analysis showed that OH/H addition reactions play important roles in determining the reactivity in 1,3-butadiene consumption.