Measuring hydroperoxide chain-branching agents during n-pentane low-temperature oxidation

Handle URI:
http://hdl.handle.net/10754/622651
Title:
Measuring hydroperoxide chain-branching agents during n-pentane low-temperature oxidation
Authors:
Rodriguez, Anne; Herbinet, Olivier; Wang, Zhandong ( 0000-0003-1535-2319 ) ; Qi, Fei; Fittschen, Christa; Westmoreland, Phillip R.; Battin-Leclerc, Frédérique
Abstract:
The reactions of chain-branching agents, such as HO and hydroperoxides, have a decisive role in the occurrence of autoignition. The formation of these agents has been investigated in an atmospheric-pressure jet-stirred reactor during the low-temperature oxidation of n-pentane (initial fuel mole fraction of 0.01, residence time of 2s) using three different diagnostics: time-of-flight mass spectrometry combined with tunable synchrotron photoionization, time-of-flight mass spectrometry combined with laser photoionization, and cw-cavity ring-down spectroscopy. These three diagnostics enable a combined analysis of HO, C-C, and C alkylhydroperoxides, C-C alkenylhydroperoxides, and C alkylhydroperoxides including a carbonyl function (ketohydroperoxides). Results using both types of mass spectrometry are compared for the stoichiometric mixture. Formation data are presented at equivalence ratios from 0.5 to 2 for these peroxides and of two oxygenated products, ketene and pentanediones, which are not usually analyzed during jet-stirred reactor oxidation. The formation of alkenylhydroperoxides during alkane oxidation is followed for the first time. A recently developed model of n-pentane oxidation aids discussion of the kinetics of these products and of proposed pathways for C-C alkenylhydroperoxides and the pentanediones.
KAUST Department:
Clean Combustion Research Center
Citation:
Rodriguez A, Herbinet O, Wang Z, Qi F, Fittschen C, et al. (2016) Measuring hydroperoxide chain-branching agents during n-pentane low-temperature oxidation. Proceedings of the Combustion Institute. Available: http://dx.doi.org/10.1016/j.proci.2016.05.044.
Publisher:
Elsevier BV
Journal:
Proceedings of the Combustion Institute
Issue Date:
23-Jun-2016
DOI:
10.1016/j.proci.2016.05.044
Type:
Article
ISSN:
1540-7489
Sponsors:
This work was supported by European Commission (“Clean ICE” ERC Advanced Research Grant) and by COST Actions CM0901 and 1404. The authors thank John Bugler and Henry Curran for providing their mechanism before the submission of the related paper [8].
Additional Links:
http://www.sciencedirect.com/science/article/pii/S154074891630044X
Appears in Collections:
Articles; Clean Combustion Research Center

Full metadata record

DC FieldValue Language
dc.contributor.authorRodriguez, Anneen
dc.contributor.authorHerbinet, Olivieren
dc.contributor.authorWang, Zhandongen
dc.contributor.authorQi, Feien
dc.contributor.authorFittschen, Christaen
dc.contributor.authorWestmoreland, Phillip R.en
dc.contributor.authorBattin-Leclerc, Frédériqueen
dc.date.accessioned2017-01-09T11:52:21Z-
dc.date.available2017-01-09T11:52:21Z-
dc.date.issued2016-06-23en
dc.identifier.citationRodriguez A, Herbinet O, Wang Z, Qi F, Fittschen C, et al. (2016) Measuring hydroperoxide chain-branching agents during n-pentane low-temperature oxidation. Proceedings of the Combustion Institute. Available: http://dx.doi.org/10.1016/j.proci.2016.05.044.en
dc.identifier.issn1540-7489en
dc.identifier.doi10.1016/j.proci.2016.05.044en
dc.identifier.urihttp://hdl.handle.net/10754/622651-
dc.description.abstractThe reactions of chain-branching agents, such as HO and hydroperoxides, have a decisive role in the occurrence of autoignition. The formation of these agents has been investigated in an atmospheric-pressure jet-stirred reactor during the low-temperature oxidation of n-pentane (initial fuel mole fraction of 0.01, residence time of 2s) using three different diagnostics: time-of-flight mass spectrometry combined with tunable synchrotron photoionization, time-of-flight mass spectrometry combined with laser photoionization, and cw-cavity ring-down spectroscopy. These three diagnostics enable a combined analysis of HO, C-C, and C alkylhydroperoxides, C-C alkenylhydroperoxides, and C alkylhydroperoxides including a carbonyl function (ketohydroperoxides). Results using both types of mass spectrometry are compared for the stoichiometric mixture. Formation data are presented at equivalence ratios from 0.5 to 2 for these peroxides and of two oxygenated products, ketene and pentanediones, which are not usually analyzed during jet-stirred reactor oxidation. The formation of alkenylhydroperoxides during alkane oxidation is followed for the first time. A recently developed model of n-pentane oxidation aids discussion of the kinetics of these products and of proposed pathways for C-C alkenylhydroperoxides and the pentanediones.en
dc.description.sponsorshipThis work was supported by European Commission (“Clean ICE” ERC Advanced Research Grant) and by COST Actions CM0901 and 1404. The authors thank John Bugler and Henry Curran for providing their mechanism before the submission of the related paper [8].en
dc.publisherElsevier BVen
dc.relation.urlhttp://www.sciencedirect.com/science/article/pii/S154074891630044Xen
dc.subjectn-pentaneen
dc.subjectCRDSen
dc.subjectHydroperoxidesen
dc.subjectJet-stirred reactoren
dc.subjectMass spectrometryen
dc.titleMeasuring hydroperoxide chain-branching agents during n-pentane low-temperature oxidationen
dc.typeArticleen
dc.contributor.departmentClean Combustion Research Centeren
dc.identifier.journalProceedings of the Combustion Instituteen
dc.contributor.institutionLaboratoire Réactions et Génie des Procédés, CNRS, Université de Lorraine, ENSIC, 1, rue Grandville, BP 20451, 54001 Nancy Cedex, Franceen
dc.contributor.institutionNational Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui 230029, P. R. Chinaen
dc.contributor.institutionPhysicoChimie des Processus de Combustion et de l'Atmosphère, CNRS, Université de Lille 1, 59650 Villeneuve d'Ascq, Franceen
dc.contributor.institutionDepartment of Chemical and Biomolecular Engineering, North Carolina State University, Raleigh, NC 27695-7905, USAen
kaust.authorWang, Zhandongen
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