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

Abstract : 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 on-line and off-line gas chromatography analyses and on-line Fourier Transformed Infra-Red spectrometry. The oxidation of this fuel in these conditions was modeled using computer-generated semi-detailed 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.
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https://hal.archives-ouvertes.fr/hal-02020318
Contributor : Philippe Dagaut <>
Submitted on : Friday, February 15, 2019 - 10:47:20 AM
Last modification on : Friday, April 19, 2019 - 8:50:23 AM

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P. Dagaut, K. Hadj-Ali. Chemical Kinetic Study of the Oxidation of Isocetane (2,2,4,4,6,8,8-Heptamethylnonane) in a Jet-stirred Reactor: Experimental and Modeling. Energy and Fuels, American Chemical Society, 2009, 23 (5), pp.2389-2395. ⟨10.1021/ef900089n⟩. ⟨hal-02020318⟩

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