Experimental and Modeling Study of the Kinetics of Oxidation of Butanol− n- Heptane Mixtures in a Jet-stirred Reactor

Philippe Dagaut 1 Casimir Togbé 1
1 ICARE - Institut de Combustion, Aérothermique, Réactivité et Environnement
Abstract : The kinetics of oxidation of 1-butanol/n-heptane mixtures (20/80 and 50/50 % in mol.) was studied experimentally using a fused silica jet stirred reactor. The experiments were performed in the temperature range 530-1070 K, at 10 atm, at two equivalence ratios (0.5 and 1), and with an initial fuel concentration of 750 ppm. A kinetic modeling was performed using reaction mechanisms resulting from the merging of validated kinetic schemes for the oxidation of the components of the present mixtures (n-heptane and butanol). Good agreement between the experimental results and the computations was observed under the present conditions when using detailed chemistry whereas using semi-detailed chemistry yielded less accurate prediction of the fuel oxidation kinetics.
Keywords : Butanol Heptane Gasoline Jet-stirred reactor Kinetic modeling Oxidation -mechanism
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Journal articles
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https://hal.archives-ouvertes.fr/hal-02020322
Contributor : Philippe Dagaut <>
Submitted on : Friday, February 15, 2019 - 10:48:21 AM
Last modification on : Friday, April 19, 2019 - 8:45:27 AM

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Philippe Dagaut, Casimir Togbé. Experimental and Modeling Study of the Kinetics of Oxidation of Butanol− n- Heptane Mixtures in a Jet-stirred Reactor. Energy and Fuels, American Chemical Society, 2009, 23 (7), pp.3527-3535. ⟨10.1021/ef900261f⟩. ⟨hal-02020322⟩

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