Oxidation Kinetics of Mixtures of Iso-Octane with Ethanol or Butanol in a Jet-Stirred Reactor: Experimental and Modeling Study

P. Dagaut (1, 2) , C. Togbé (1)

1 ICARE - Institut de Combustion, Aérothermique, Réactivité et Environnement
2 CNRS - Centre National de la Recherche Scientifique

The kinetics of oxidation of mixtures of iso-octane with ethanol or 1-butanol (25/75, 50/50, and 75/25 % in vol.) were studied experimentally using a fused silica jet stirred reactor. The experiments were performed in the temperature range 770-1190 K, at 10 atm, at an equivalence ratio of 1. A kinetic modeling was performed using a reaction mechanism resulting from the merging of validated kinetic schemes for the oxidation of the components of the present mixtures (iso-octane, ethanol, and 1-butanol). Good agreement between the experimental results and the computations was observed under the present conditions. Reaction path analyses and sensitivity analyses were used to interpret the results.

Mots clés: kinetics; butanol; ethanol; iso-octane; gasoline; modeling; jet-stirred reactor

Domaines: Chimie théorique et/ou physique; Milieux fluides et réactifs

P. Dagaut, C. Togbé. Oxidation Kinetics of Mixtures of Iso-Octane with Ethanol or Butanol in a Jet-Stirred Reactor: Experimental and Modeling Study. Combustion Science and Technology, 2012, 184 (7-8), pp.1025-1038. ⟨10.1080/00102202.2012.663993⟩. ⟨hal-02014753⟩