Kinetics of Oxidation of 2-Butanol and Isobutanol in a Jet-Stirred Reactor: Experimental Study and Modeling Investigation

Abstract : The kinetics of oxidation of two butanol isomers (2-butanol and isobutanol) were studied experimentally using a fused silica jet stirred reactor (JSR). The experiments were performed in the temperature range of 770−1250 K, at 10 atm, for equivalence ratios in the range of 0.275−4), and with an initial fuel concentration of 1000 or 1500 ppm. Concentration profiles of reactants, stable intermediates, and products were measured by gas chromatography and infrared spectrometry after sonic probe sampling. The experiments showed similar rates of consumption for 1-butanol, 2-butanol, and isobutanol, whereas significant variations were observed for product formation and relative concentration. Kinetic modeling was performed using a reaction mechanism taken from the literature. A reasonable agreement between the present experimental results and the computation was observed for isobutanol, whereas the rate of oxidation of 2-butanol was significantly overpredicted by the kinetic model. Kinetic analyses were used to identify the reasons for the observed discrepancies. The present data are expected to be useful for improving existing kinetic oxidation model.
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Contributor : Philippe Dagaut <>
Submitted on : Friday, February 15, 2019 - 10:28:50 AM
Last modification on : Thursday, April 18, 2019 - 9:51:44 AM

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Casimir Togbé, Amir Mzé-Ahmed, Philippe Dagaut. Kinetics of Oxidation of 2-Butanol and Isobutanol in a Jet-Stirred Reactor: Experimental Study and Modeling Investigation. Energy and Fuels, American Chemical Society, 2010, 24 (9), pp.5244-5256. ⟨10.1021/ef1008488⟩. ⟨hal-02020273⟩

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