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- Title
Analysis of high mass resolution PTR-TOF mass spectra from 1,3,5-trimethylbenzene (TMB) environmental chamber experiments.
- Authors
Müller, M.; Graus, M.; Wisthaler, A.; Hansel, A.; Metzger, A.; Dommen, J.; Baltensperger, U.; Kiendler-Scharr, A.
- Abstract
A series of 1,3,5-trimethylbenzene (TMB) photooxidation 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 …C 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 Due to image rights restrictions, multiple line equation(s) cannot be graphically displayed C were in the range of -0.34 to -0.31, in agreement with expected average carbon oxidation states of fresh SOA (…C = -0.5-0).
- Subjects
HIGH resolution spectroscopy; TIME-of-flight mass spectrometry; AROMATIC compounds; PROTON transfer reactions; SIMULATION methods &; models; OXIDATION
- Publication
Atmospheric Chemistry & Physics, 2012, Vol 12, Issue 2, p829
- ISSN
1680-7316
- Publication type
Article
- DOI
10.5194/acp-12-829-2012