Investigation Of The Role Of Bicyclic Peroxy Radicals In The Oxidation Mechanism Of Toluene

Title:
Investigation Of The Role Of Bicyclic Peroxy Radicals In The Oxidation Mechanism Of Toluene
Authors:
Birdsall, Adam W.; Andreoni, John F.; Elrod, Matthew J.
Abstract:
The products of the primary OH-initiated oxidation of toluene were investigated using the turbulent flow chemical ionization mass spectrometry technique under different oxygen, NO, and initial OH radical concentrations as well as a range of total pressures. The bicyclic peroxy radical intermediate, a key proposed intermediate species in the Master Chemical Mechanism (MCM) for the atmospheric oxidation of toluene, was detected for the first time. The toluene oxidation mechanism was shown to have a strong oxygen concentration dependence, presumably due to the central role of the bicyclic peroxy radical in determining the stable product distribution at atmospheric oxygen concentrations. The results also suggest a potential role for bicyclic peroxy radical + HO2 reactions at high HO2/NO ratios. These reactions are postulated to be a source of the inconsistencies between environmental chamber results and predictions from the MCM.
Citation:
Birdsall, Adam W., John F. Andreoni, and Matthew J. Elrod. 2010. "Investigation Of The Role Of Bicyclic Peroxy Radicals In The Oxidation Mechanism Of Toluene." Journal Of Physical Chemistry A 114(39): 10655-10663.
Publisher:
American Chemical Society
DATE ISSUED:
2010-10
Department:
Chemistry
Type:
article
PUBLISHED VERSION:
10.1021/jp105467e
PERMANENT LINK:
http://hdl.handle.net/11282/309902

Full metadata record

DC FieldValue Language
dc.contributor.authorBirdsall, Adam W.en_US
dc.contributor.authorAndreoni, John F.en_US
dc.contributor.authorElrod, Matthew J.en_US
dc.date.accessioned2013-12-23T16:20:43Z-
dc.date.available2013-12-23T16:20:43Z-
dc.date.issued2010-10en
dc.identifier.citationBirdsall, Adam W., John F. Andreoni, and Matthew J. Elrod. 2010. "Investigation Of The Role Of Bicyclic Peroxy Radicals In The Oxidation Mechanism Of Toluene." Journal Of Physical Chemistry A 114(39): 10655-10663.en_US
dc.identifier.issn1089-5639en_US
dc.identifier.urihttp://hdl.handle.net/11282/309902-
dc.description.abstractThe products of the primary OH-initiated oxidation of toluene were investigated using the turbulent flow chemical ionization mass spectrometry technique under different oxygen, NO, and initial OH radical concentrations as well as a range of total pressures. The bicyclic peroxy radical intermediate, a key proposed intermediate species in the Master Chemical Mechanism (MCM) for the atmospheric oxidation of toluene, was detected for the first time. The toluene oxidation mechanism was shown to have a strong oxygen concentration dependence, presumably due to the central role of the bicyclic peroxy radical in determining the stable product distribution at atmospheric oxygen concentrations. The results also suggest a potential role for bicyclic peroxy radical + HO2 reactions at high HO2/NO ratios. These reactions are postulated to be a source of the inconsistencies between environmental chamber results and predictions from the MCM.en_US
dc.language.isoen_USen_US
dc.publisherAmerican Chemical Societyen_US
dc.identifier.doi10.1021/jp105467e-
dc.subject.departmentChemistryen_US
dc.titleInvestigation Of The Role Of Bicyclic Peroxy Radicals In The Oxidation Mechanism Of Tolueneen_US
dc.typearticleen_US
dc.identifier.journalJournal Of Physical Chemistry Aen_US
dc.subject.keywordRing-retaining productsen_US
dc.subject.keywordOh-initiated oxidationen_US
dc.subject.keywordGas-phase reactionen_US
dc.subject.keywordAtmospheric oxidationen_US
dc.subject.keywordAromatic-hydrocarbonsen_US
dc.subject.keywordHydroxyl radicalsen_US
dc.subject.keywordRate-constanten_US
dc.subject.keywordBenzeneen_US
dc.subject.keywordPhotooxidationen_US
dc.subject.keywordXyleneen_US
dc.identifier.volume114en_US
dc.identifier.issue39en_US
dc.identifier.startpage10655en_US
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