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Scientific Articles - PTR-MS Bibliography

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Found 3 results
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Filters: Author is Yokelson, RJ  [Clear All Filters]
[Karl2007] Karl, TG., TJ. Christian, RJ. Yokelson, P. Artaxo, M. W Hao, and A. Guenther, "The Tropical Forest and Fire Emissions Experiment: method evaluation of volatile organic compound emissions measured by PTR-MS, FTIR, and GC from tropical biomass burning", Atmospheric Chemistry and Physics, vol. 7, no. 22: Copernicus GmbH, pp. 5883–5897, 2007.
Volatile Organic Compound (VOC) emissions from fires in tropical forest fuels were quantified using Proton-Transfer-Reaction Mass Spectrometry (PTRMS), Fourier Transform Infrared Spectroscopy (FTIR) and gas chromatography (GC) coupled to PTRMS (GC-PTR-MS). We investigated VOC emissions from 19 controlled laboratory fires at the USFS (United States Forest Service) Fire Sciences Laboratory and 16 fires during an intensive airborne field campaign during the peak of the burning season in Brazil in 2004. The VOC emissions were dominated by oxygenated VOCs (OVOC) (OVOC/NMHC  4:1, NMHC: non-methane hydrocarbons) The specificity of the PTR-MS instrument, which measures the mass to charge ratio of VOCs ionized by H3O+ ions, was validated by gas chromatography and by intercomparing in-situ measurements with those obtained from an open path FTIR instrument. Emission ratios for methyl vinyl ketone, methacrolein, crotonaldehyde, acrylonitrile and pyrrole were measured in the field for the first time. Our measurements show a higher contribution of OVOCs than previously assumed for modeling purposes. Comparison of fresh (<15 min) and aged (>1 h–1 d) smoke suggests altered emission ratios due to gas phase chemistry for acetone but not for acetaldehyde and methanol. Emission ratios for numerous, important, reactive VOCs with respect to acetonitrile (a biomass burning tracer) are presented.
[Christian2004] Christian, TJ., B. Kleiss, RJ. Yokelson, R. Holzinger, PJ. Crutzen, WM. Hao, T. Shirai, and DR. Blake, "Comprehensive laboratory measurements of biomass-burning emissions: 2. First intercomparison of open-path FTIR, PTR-MS, and GC-MS/FID/ECD", Journal of geophysical research, vol. 109, no. D2: American Geophysical Union, pp. D02311, 2004.
Oxygenated volatile organic compounds (OVOC) can dominate atmospheric organic chemistry, but they are difficult to measure reliably at low levels in complex mixtures. Several techniques that have been used to speciate nonmethane organic compounds (NMOC) including OVOC were codeployed/intercompared in well-mixed smoke generated by 47 fires in the U.S. Department of Agriculture Forest Service Fire Sciences Combustion Facility. The agreement between proton transfer reaction mass spectrometry (PTR-MS) and open-path Fourier transform infrared spectroscopy (OP-FTIR) was excellent for methanol (PT/FT = 1.04 ± 0.118) and good on average for phenol (0.843 ± 0.845) and acetol (∼0.81). The sum of OP-FTIR mixing ratios for acetic acid and glycolaldehyde agreed (within experimental uncertainty) with the PTR-MS mixing ratios for protonated mass 61 (PT/FT = 1.17 ± 0.34), and the sum of OP-FTIR mixing ratios for furan and isoprene agreed with the PTR-MS mixing ratios for protonated mass 69 (PT/FT = 0.783 ± 0.465). The sum of OP-FTIR mixing ratios for acetone and methylvinylether accounted for most of the PTR-MS protonated mass 59 signal (PT/FT = 1.29 ± 0.81), suggesting that one of these compounds was underestimated by OP-FTIR or that it failed to detect other compounds that could contribute at mass 59. Canister grab sampling followed by gas chromatography (GC) with mass spectrometry (MS), flame ionization detection (FID), and electron capture detection (ECD) analysis by two different groups agreed well with OP-FTIR for ethylene, acetylene, and propylene. However, these propylene levels were below those observed by PTR-MS (PT/FT = 2.33 ± 0.89). Good average agreement between PTR-MS and GC was obtained for benzene and toluene. At mixing ratios above a few parts per billion the OP-FTIR had advantages for measuring sticky compounds (e.g., ammonia and formic acid) or compounds with low proton affinity (e.g., hydrogen cyanide and formaldehyde). Even at these levels, only the PTR-MS measured acetonitrile and acetaldehyde. Below a few ppbv only the PTR-MS measured a variety of OVOC, but the possibility of fragmentation, interference, and sampling losses must be considered.
[Christian2003] Christian, TJ., B. Kleiss, RJ. Yokelson, R. Holzinger, PJ. Crutzen, WM. Hao, BH. Saharjo, and DE. Ward, "Comprehensive laboratory measurements of biomass-burning emissions: 1. Emissions from Indonesian, African, and other fuels", J. Geophys. Res, vol. 108, no. 4719, pp. 1–4719, 2003.
Trace gas and particle emissions were measured from 47 laboratory fires burning 16 regionally to globally significant fuel types. Instrumentation included the following: open-path Fourier transform infrared spectroscopy; proton transfer reaction mass spectrometry; filter sampling with subsequent analysis of particles with diameter <2.5 μm for organic and elemental carbon and other elements; and canister sampling with subsequent analysis by gas chromatography (GC)/flame ionization detector, GC/electron capture detector, and GC/mass spectrometry. The emissions of 26 compounds are reported by fuel type. The results include the first detailed measurements of the emissions from Indonesian fuels. Carbon dioxide, CO, CH4, NH3, HCN, methanol, and acetic acid were the seven most abundant emissions (in order) from burning Indonesian peat. Acetol (hydroxyacetone) was a major, previously unobserved emission from burning rice straw (21–34 g/kg). The emission factors for our simulated African fires are consistent with field data for African fires for compounds measured in both the laboratory and the field. However, the higher concentrations and more extensive instrumentation in this work allowed quantification of at least 10 species not previously quantified for African field fires (in order of abundance): acetaldehyde, phenol, acetol, glycolaldehyde, methylvinylether, furan, acetone, acetonitrile, propenenitrile, and propanenitrile. Most of these new compounds are oxygenated organic compounds, which further reinforces the importance of these reactive compounds as initial emissions from global biomass burning. A few high-combustion-efficiency fires emitted very high levels of elemental (black) carbon, suggesting that biomass burning may produce more elemental carbon than previously estimated.

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Selected PTR-MS related Reviews

F. Biasioli, C. Yeretzian, F. Gasperi, T. D. Märk: PTR-MS monitoring of VOCs and BVOCs in food science and technology, Trends in Analytical Chemistry 30 (7) (2011).

J. de Gouw, C. Warneke, T. Karl, G. Eerdekens, C. van der Veen, R. Fall: Measurement of Volatile Organic Compounds in the Earth's Atmosphere using Proton-Transfer-Reaction Mass Spectrometry. Mass Spectrometry Reviews, 26 (2007), 223-257.

W. Lindinger, A. Hansel, A. Jordan: Proton-transfer-reaction mass spectrometry (PTR–MS): on-line monitoring of volatile organic compounds at pptv levels, Chem. Soc. Rev. 27 (1998), 347-375.


Lists with PTR-MS relevant publications of the University of Innsbruck can be found here: Atmospheric and indoor air chemistry, IMR, Environmental Physics and Nano-Bio-Physics


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