Modeling the Oxidation of Mixtures of Primary Reference Automobile Fuels P. A. Glaude V. Conraud R. Fournet F. Battin-Leclerc G. M. Côme G. Scacchi P. Dagaut M. Cathonnet 10.1021/ef020025e.s020 https://acs.figshare.com/articles/journal_contribution/Modeling_the_Oxidation_of_Mixtures_of_Primary_Reference_Automobile_Fuels/3595977 A kinetic model for the oxidation of mixtures of <i>n</i>-heptane/iso-octane, the primary reference fuels for octane rating in spark-ignited internal combustion engines, has been written by using the system of automatic generation of mechanisms developed in Nancy. The relevant mechanism involves 647 species and includes 2386 reactions. The concentration profiles predicted by this model have been compared with experimental results obtained in a perfectly jet-stirred reactor in a temperature range from 580 to 1150 K, which includes the negative temperature coefficient region. A good agreement has been obtained for both the conversion of reactants and the distribution of the products formed. Reaction rates analyses have been performed for both compounds at 650 and 1100 K. A sensitivity analysis and a study of the influence of the structure of each molecule on the preferential reaction channels have been carried out and have enabled us to explain the changes in reactivity with the composition of the mixtures studied. 2002-07-27 00:00:00 octane rating reactor generation combustion engines temperature coefficient region reference fuels concentration profiles 647 species conversion Mixture Oxidation mechanism 1100 K reactivity Reaction rates analyses heptane 1150 K reaction channels reactants mixture Primary Reference Automobile Fuels oxidation influence molecule 2386 reactions compound modeling sensitivity analysis temperature range model