Chemical Kinetic Study of the Oxidation of Isocetane (2,2,4,4,6,8,8-Heptamethylnonane) in a Jet-stirred Reactor: Experimental and Modeling

The kinetics of oxidation of isocetane (2,2,4,4,6,8,8-heptamethylnonane), a cetane number reference fuel, was studied experimentally in a jet-stirred reactor (JSR) at 10 atm and a constant residence time of 1 s, over the temperature range 770−1070 K, and for variable equivalence ratios (0.5, 1, and 2). Concentration profiles of reactants, stable intermediates, and final products were obtained by probe sampling followed by online and offline gas chromatography analyses and online Fourier transformed infrared spectrometry. The oxidation of this fuel in these conditions was modeled using computer-generated semidetailed kinetic reaction mechanisms. A reasonable representation of the kinetics of oxidation of isocetane and the formation of the main products under the present JSR conditions could be obtained. However, the prediction of most of the intermediates was poor as a result of the use of too simplified lumped chemistry in these schemes. This indicates needs for additional model development that could benefit from the present experimental database