21 research outputs found
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 C10) 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 a
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 understand the
influence of reactions of primary products. A modeling comparison between
linear alkanes for C8 to C16 in terms of ignition delay times and the formation
of light products is also discussed
WICRI : construire des réseaux de la recherche et de l'innovation dans l'UPM
National audienceUn dĂ©monstrateur de rĂ©seau de wikis, nommĂ© WICRI, et dĂ©diĂ© au monde de la recherche et l'innovation a Ă©tĂ© rĂ©alisĂ© dans le cadre de la mission TICRI (Technologies de l'Information et de la Communication pour la Recherche et de l'Innovation) de la DRRT Lorraine. Il a pour but de sensibiliser les acteurs de la recherche et de l'innovation de l'intĂ©rĂȘt des rĂ©seaux de wikis sĂ©mantiques. Les rĂ©sultats de cette expĂ©rience peuvent s'appliquer Ă l'Espace NumĂ©rique Ouvert Pour la MĂ©diterranĂ©e
Auto-ignition control using an additive with adaptable chemical structure. Part I: Development of a kinetic model for 1,3-cyclohexadiene and 1,3,5-hexatriene combustion
International audienc
The oxidation of large alkylbenzenes: An experimental and modeling study
International audienceThis paper describes the first development of detailed kinetic models for the alkylbenzenes actually present in diesel fuels. Thanks to a new version of the software EXGAS dedicated to alkylbenzenes, the first detailed models for the oxidation of alkylbenzenes with an alkyl chain containing more than 2 atoms of carbon have been automatically generated. These models are based on an aromatic reaction base consisting of a recent ethylbenzene detailed kinetic model. They involve a new type of generic primary reaction for EXGAS mechanisms, ipso-addition, and new generic rules for the estimation of kinetic parameters involved in primary and secondary mechanisms. The existing experimental data on the oxidation of n-propylbenzene and n-butylbenzene, as well as new results on the oxidation of n-hexylbenzene obtained in a jet-stirred reactor from 500 to 1100 K under 1 atm, have been successfully modeled. Simulations well reproduce the more important low-temperature reactivity which is observed for n-hexylbenzene compared to n-butylbenzene. This new tool has also been used to numerically investigate the behavior of alkylbenzenes from n-propylbenzene up to n-decylbenzene. Simulations using this model show an important enhancement of low-temperature reactivity when the alkyl chain in the compounds increases. Flow rate analyses show that this significant increase is due to a decreasing influence of resonance stabilized benzylic radicals obtained from the reactant by H-abstractions on the carbon atom neighboring the ring
Teaching the Concept of Gibbs Energy Minimization through Its Application to Phase-Equilibrium Calculation
International audienc