Detailed and simplified kinetic models of n-dodecane oxidation: The role of fuel cracking in aliphatic hydrocarbon combustion

Abstract A detailed kinetic model is proposed for the combustion of normal alkanes up to n -dodecane above 850 K. The model was validated against experimental data, including fuel pyrolysis in plug flow and jet-stirred reactors, laminar flame speeds, and ignition delay times behind reflected shock waves, with n -dodecane being the emphasis. Analysis of the computational results reveal that for a wide range of combustion conditions, the kinetics of fuel cracking to form smaller molecular fragments is fast and may be decoupled from the oxidation kinetics of the fragments. Subsequently, a simplified model containing a minimal set of 4 species and 20 reaction steps was developed to predict the fuel pyrolysis rate and product distribution. Combined with the base C 1 -C 4 model, the simplified model predicts fuel pyrolysis rate and product distribution, laminar flame speeds, and ignition delays as close as the detailed reaction model.

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