Experimental and Modeling Study of the Low-Temperature Oxidation of Large Alkanes

This paper presents an experimental and modeling study of the oxidation of large linear akanes (from C 10) representative from diesel fuel from low to intermediate temperature (550−1100 K) including the negative temperature coefficient (NTC) zone. The experimental study has been performed in a jet-stirred reactor at atmospheric pressure for n-decane and an n-decane/ n-hexadecane blend. Detailed kinetic mechanisms have been developed using computer-aided generation (EXGAS) with improved rules for writing reactions of primary products. These mechanisms have allowed a correct simulation of the experimental results obtained. Data from the literature for the oxidation of n-decane, in a jet-stirred reactor at 10 bar and in shock tubes, and of n-dodecane in a pressurized flow reactor have also been correctly modeled. A considerable improvement of the prediction of the formation of products is obtained compared to our previous models. Flow rates and sensitivity analyses have been performed in order to better unde...