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Étude expérimentale et modélisation cinétique de la transformation d’éthanol en butadiène

Abstract : Butadiene is a molecule of industrial interest that can be produced by the so-called Ostromislensky process, with ethanol as raw material. This study aims to develop a kinetic model to explain the transformation of an ethanol/acetaldehyde mixture into butadiene, as part of the second step of this process. The kinetic model is based on a reaction scheme and a reactor model. The proposed scheme includes the commonly accepted Gorin Jones pathway and a new pathway involving a butenone intermediate. The key steps were specifically studied via dedicated experiments. The scheme describes also steps leading to by products. It was validated from an experimental database, generated upstream of the study on a gas / solid type unit, fixed bed, isobaric (3 bara) and isothermal, with a Ta2O5 SiO2 catalyst. The influence of the operating conditions on the effluent was observed for three ethanol/acetaldehyde ratios and over ranges of PPH (1.1 to 8.1 g·gcata 1·h-1) and temperatures (320 to 370 °C). The reactor (plug flow without diffusional limitations) integrating kinetic laws of order, was modeled in the permanent state via a solver LSODE. Kinetic parameters were estimated via a Levenberg Marquardt optimizer from the experimental database. The kinetic model obtained, based on a brand new reaction scheme, is able to represent and predict the flow rates of the main compounds and the trends and orders of magnitude of the flow rates of the minority compounds according to the effects of PPH, charge and temperature, except under certain isolated operating conditions
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Submitted on : Wednesday, January 22, 2020 - 11:52:09 AM
Last modification on : Wednesday, January 22, 2020 - 11:53:27 AM
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  • HAL Id : tel-02448385, version 1




Damien Dussol. Étude expérimentale et modélisation cinétique de la transformation d’éthanol en butadiène. Génie chimique. Université de Lyon, 2019. Français. ⟨NNT : 2019LYSE1221⟩. ⟨tel-02448385⟩



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