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

Handle URI:
http://hdl.handle.net/10754/625019
Title:
Quantities of Interest in Jet Stirred Reactor Oxidation of a High-Octane Gasoline
Authors:
Chen, Bingjie; Togbe, Casimir; Selim, Hatem; Dagaut, Philippe; Sarathy, Mani ( 0000-0002-3975-6206 )
Abstract:
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.
KAUST Department:
Clean Combustion Research Center
Citation:
Chen B, Togbé C, Selim H, Dagaut P, Sarathy SM (2017) Quantities of Interest in Jet Stirred Reactor Oxidation of a High-Octane Gasoline. Energy & Fuels 31: 5543–5553. Available: http://dx.doi.org/10.1021/acs.energyfuels.6b03193.
Publisher:
American Chemical Society (ACS)
Journal:
Energy & Fuels
Issue Date:
28-Mar-2017
DOI:
10.1021/acs.energyfuels.6b03193
Type:
Article
ISSN:
0887-0624; 1520-5029
Sponsors:
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.
Additional Links:
http://pubs.acs.org/doi/abs/10.1021/acs.energyfuels.6b03193
Appears in Collections:
Articles; Clean Combustion Research Center

Full metadata record

DC FieldValue Language
dc.contributor.authorChen, Bingjieen
dc.contributor.authorTogbe, Casimiren
dc.contributor.authorSelim, Hatemen
dc.contributor.authorDagaut, Philippeen
dc.contributor.authorSarathy, Manien
dc.date.accessioned2017-06-14T12:17:34Z-
dc.date.available2017-06-14T12:17:34Z-
dc.date.issued2017-03-28en
dc.identifier.citationChen B, Togbé C, Selim H, Dagaut P, Sarathy SM (2017) Quantities of Interest in Jet Stirred Reactor Oxidation of a High-Octane Gasoline. Energy & Fuels 31: 5543–5553. Available: http://dx.doi.org/10.1021/acs.energyfuels.6b03193.en
dc.identifier.issn0887-0624en
dc.identifier.issn1520-5029en
dc.identifier.doi10.1021/acs.energyfuels.6b03193en
dc.identifier.urihttp://hdl.handle.net/10754/625019-
dc.description.abstractThis 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.en
dc.description.sponsorshipThis 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.en
dc.publisherAmerican Chemical Society (ACS)en
dc.relation.urlhttp://pubs.acs.org/doi/abs/10.1021/acs.energyfuels.6b03193en
dc.titleQuantities of Interest in Jet Stirred Reactor Oxidation of a High-Octane Gasolineen
dc.typeArticleen
dc.contributor.departmentClean Combustion Research Centeren
dc.identifier.journalEnergy & Fuelsen
dc.contributor.institutionCentre National de la Recherche Scientifique INSIS, ICARE, 1C Avenue de la Recherche Scientifique, 45071 Cedex 2 Orléans, Franceen
kaust.authorChen, Bingjieen
kaust.authorSelim, Hatemen
kaust.authorSarathy, Manien
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