Quantities of Interest in Jet Stirred Reactor Oxidation of a High-Octane Gasoline

Bingjie Chen, Casimir Togbé, Hatem Selim, Philippe Dagaut, Mani Sarathy

Research output: Contribution to journalArticlepeer-review

20 Scopus citations


This work examines the oxidation of a well-characterized, high-octane-number FACE (fuel for advanced combustion engines) F gasoline. Oxidation experiments were performed in a jet-stirred reactor (JSR) for FACE F gasoline under the following conditions: pressure, 10 bar; temperature, 530-1250 K; residence time, 0.7s; equivalence ratios, 0.5, 1.0, and 2.0. Detailed species profiles were achieved by identification and quantification from gas chromatography with mass spectrometry (GC-MS) and Fourier transform infrared spectrometry (FTIR). Four surrogates, with physical and chemical properties that mimic the real fuel properties, were used for simulations, with a detailed gasoline surrogate kinetic model. Fuel and species profiles were well-captured and-predicted by comparisons between experimental results and surrogate simulations. Further analysis was performed using a quantities of interest (QoI) approach to show the differences between experimental and simulation results and to evaluate the gasoline surrogate kinetic model. Analysis of the multicomponent surrogate kinetic model indicated that iso-octane and alkyl aromatic oxidation reactions had impact on species profiles in the high-temperature region;. however, the main production and consumption channels were related to smaller molecule reactions. The results presented here offer new insights into the oxidation chemistry of complex gasoline fuels and provide suggestions for the future development of surrogate kinetic models.
Original languageEnglish (US)
Pages (from-to)5543-5553
Number of pages11
JournalEnergy & Fuels
Issue number5
StatePublished - Apr 12 2017

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: This work is supported by King Abdullah University of Science and Technology (KAUST) and Saudi Aramco under the FUELCOM program, and by the European Research Council under the European Community's Seventh Framework Programme (FP7/2007-2013)/ERC Grant Agreement No. 291049-2G-CSafe.


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