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Titel Analysis of high mass resolution PTR-TOF mass spectra from 1,3,5-trimethylbenzene (TMB) environmental chamber experiments
VerfasserIn M. Müller, M. Graus, A. Wisthaler, A. Hansel, A. Metzger, J. Dommen, U. Baltensperger
Medientyp Artikel
Sprache Englisch
ISSN 1680-7316
Digitales Dokument URL
Erschienen In: Atmospheric Chemistry and Physics ; 12, no. 2 ; Nr. 12, no. 2 (2012-01-18), S.829-843
Datensatznummer 250010533
Publikation (Nr.) Volltext-Dokument vorhandencopernicus.org/acp-12-829-2012.pdf
 
Zusammenfassung
A series of 1,3,5-trimethylbenzene (TMB) photo-oxidation experiments was performed in the 27-m3 Paul Scherrer Institute environmental chamber under various NOx conditions. A University of Innsbruck prototype high resolution Proton Transfer Reaction Time-of-Flight Mass Spectrometer (PTR-TOF) was used for measurements of gas and particulate phase organics. The gas phase mass spectrum displayed ~200 ion signals during the TMB photo-oxidation experiments. Molecular formulas CmHnNoOp were determined and ion signals were separated and grouped according to their C, O and N numbers. This allowed to determine the time evolution of the O:C ratio and of the average carbon oxidation state OSC of the reaction mixture. Both quantities were compared with master chemical mechanism (MCMv3.1) simulations. The O:C ratio in the particle phase was about twice the O:C ratio in the gas phase. Average carbon oxidation states of secondary organic aerosol (SOA) samples OSCSOA were in the range of −0.34 to −0.31, in agreement with expected average carbon oxidation states of fresh SOA (OSC = −0.5–0).
 
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