UV–visible spectra and gas-phase rate coefficients for the reaction of 2,3-pentanedione and 2,4-pentanedione with OH radicals

Messaadia, L.; Dib, Gisèle El; Ferhati, A.; Chakir, A.

doi:10.1016/j.cplett.2015.02.032

Cited by 23 publications

(27 citation statements)

References 28 publications

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“…Glyoxal and methylglyoxal were measured using the ACES instrument (Min et al, 2016). Light from an LED with a center wavelength of 455 nm was introduced into a 45 cm long cavity capped with highly reflective (R > 0.99995 at 455 nm) mirrors, enabling the light to make multiple passes and resulting in an effective pathlength of 10-12 km.…”

Section: Acesmentioning

confidence: 99%

“…In previous work, a third-or fourth-order polynomial was included in the fit to account for drift in the instrument zero signal counts (Min et al, 2016), but given the high peak signal at the FSL (several orders of magnitude greater than ambient), any changes in the background were small relative to the signal from gas phase absorbers. Due to the lack of structure in the methylglyoxal cross section, the DOASIS fitting software tended to assign a large portion of the signal to the polynomial, rather than to methylglyoxal.…”

Section: Spectral Retrievalmentioning

confidence: 99%

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Primary emissions of glyoxal and methylglyoxal from laboratory measurements of open biomass burning

et al. 2018

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Abstract. We report the emissions of glyoxal and methylglyoxal from the open burning of biomass during the NOAA-led 2016 FIREX intensive at the Fire Sciences Laboratory in Missoula, MT. Both compounds were measured using cavity-enhanced spectroscopy, which is both more sensitive and more selective than methods previously used to determine emissions of these two compounds. A total of 75 burns were conducted, using 33 different fuels in 8 different categories, providing a far more comprehensive dataset for emissions than was previously available. Measurements of methylglyoxal using our instrument suffer from spectral interferences from several other species, and the values reported here are likely underestimates, possibly by as much as 70 %. Methylglyoxal emissions were 2–3 times higher than glyoxal emissions on a molar basis, in contrast to previous studies that report methylglyoxal emissions lower than glyoxal emissions. Methylglyoxal emission ratios for all fuels averaged 3.6±2.4 ppbv methylglyoxal (ppmv CO)−1, while emission factors averaged 0.66±0.50 g methylglyoxal (kg fuel burned)−1. Primary emissions of glyoxal from biomass burning were much lower than previous laboratory measurements but consistent with recent measurements from aircraft. Glyoxal emission ratios for all fuels averaged 1.4±0.7 ppbv glyoxal (ppmv CO)−1, while emission factors averaged 0.20±0.12 g glyoxal (kg fuel burned)−1, values that are at least a factor of 4 lower than assumed in previous estimates of the global glyoxal budget. While there was significant variability in the glyoxal emission ratios and factors between the different fuel groups, glyoxal and formaldehyde were highly correlated during the course of any given fire, and the ratio of glyoxal to formaldehyde, RGF, was consistent across many different fuel types, with an average value of 0.068±0.018. While RGF values for fresh emissions were consistent across many fuel types, further work is required to determine how this value changes as the emissions age.

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Section: Acesmentioning

confidence: 99%

Section: Spectral Retrievalmentioning

confidence: 99%

Primary emissions of glyoxal and methylglyoxal from laboratory measurements of open biomass burning

et al. 2018

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“…The enhanced photolysis of carbonyl nitrates from isoprene is implemented according to Barnes et al (1993) and Müller et al (2014). The enhancement is applied to the photolysis rate coefficients (j values) of nitrooxyacetone (NOA), nitrooxyacetaldehyde (NO3CH2CHO), lumped nitrates of methyl ethyl ketone (LMEKNO3), nitrates of MVK (methyl vinyl ketone) and MACR, and unsaturated C 5nitrooxyaldehyde from the isoprene + NO 3 reaction.…”

Section: Photo-induced Reactionsmentioning

confidence: 99%

The community atmospheric chemistry box model CAABA/MECCA-4.0

Baumgaertner²,

et al. 2019

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We present version 4.0 of the atmospheric chemistry box model CAABA/MECCA that now includes a number of new features: (i) skeletal mechanism reduction, (ii) the Mainz Organic Mechanism (MOM) chemical mechanism for volatile organic compounds, (iii) an option to include reactions from the Master Chemical Mechanism (MCM) and other chemical mechanisms, (iv) updated isotope tagging, and (v) improved and new photolysis modules (JVAL, RAD-JIMT, DISSOC). Further, when MECCA is connected to a global model, the new feature of coexisting multiple chemistry mechanisms (PolyMECCA/CHEMGLUE) can be used. Additional changes have been implemented to make the code more user-friendly and to facilitate the analysis of the model results. Like earlier versions, CAABA/MECCA-4.0 is a community model published under the GNU General Public License.

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“…OH radicals (9.05× -11 cm 3 molecule -1 s ) (Zhou et al, 2008), 2,3-pentanedione, with a rate coefficient for the reaction with OH radicals of 2.25× 10 -12 cm 3 molecule -1 s 1 (Szabó et al, 2011) is 40 times less reactive and consequently the secondary reaction with OH radicals could be of less importance (Messaadia et al, 2015).…”

Section: 22(e)-1-methoxy-2-methyl-1-penten-3-one + Oh Radicalsmentioning

confidence: 99%

Atmospheric fate of two relevant unsaturated ketoethers: kinetics, products and mechanisms for the reaction of hydroxyl radicals with (E)-4-methoxy-3-buten-2-one and 1-(E)-1-methoxy-2-methyl-1-penten-3-one

Gibilisco¹,

Barnes²,

Bejan³

et al. 2020

Preprint

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Abstract. The kinetics of the gas-phase reactions of hydroxyl radicals with two unsaturated methoxy-ketones at (298&#8201;&#177;&#8201;3)&#8201;K and 1&#8201;atm of synthetic air have been studied for the first time using the relative rate technique in an environmental reaction chamber by in situ FTIR spectrometry. The rate coefficients obtained using propene and isobutene as reference compounds were (in units of 10&#8211;10&#8201;cm3&#8201;molecule&#8722;1&#8201;s&#8722;1) as follows: k1(OH&#8201;+&#8201;(E)-4-methoxy-3-buten-2-one)&#8201;=&#8201;(1.42&#8201;&#177;&#8201;0.12), and k2(OH&#8201;+&#8201;1-(E)-1-methoxy-2-methyl-1-penten-3-one)&#8201;=&#8201;(3.34&#8201;&#177;&#8201;0.43). In addition, quantification of the main oxidation products has been performed and degradation mechanisms for these reactions were developed. The formation products and kinetic data confirm that the reactions proceed mainly via an addition of the OH radical to the double bond. Gas phase products, identified and quantified from these reactions, are carbonyls like methyl formate, methyl glyoxal and 2,3-pentanedione and long-lived nitrogen containing compounds such as PAN and PPN. Atmospheric lifetimes and the ozone formation potential have been estimated and possible atmospheric implications assessed.

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UV–visible spectra and gas-phase rate coefficients for the reaction of 2,3-pentanedione and 2,4-pentanedione with OH radicals

Cited by 23 publications

References 28 publications

Primary emissions of glyoxal and methylglyoxal from laboratory measurements of open biomass burning

Primary emissions of glyoxal and methylglyoxal from laboratory measurements of open biomass burning

The community atmospheric chemistry box model CAABA/MECCA-4.0

Atmospheric fate of two relevant unsaturated ketoethers: kinetics, products and mechanisms for the reaction of hydroxyl radicals with (<i>E</i>)-4-methoxy-3-buten-2-one and 1-(<i>E</i>)-1-methoxy-2-methyl-1-penten-3-one

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UV–visible spectra and gas-phase rate coefficients for the reaction of 2,3-pentanedione and 2,4-pentanedione with OH radicals

Cited by 23 publications

References 28 publications

Primary emissions of glyoxal and methylglyoxal from laboratory measurements of open biomass burning

Primary emissions of glyoxal and methylglyoxal from laboratory measurements of open biomass burning

The community atmospheric chemistry box model CAABA/MECCA-4.0

Atmospheric fate of two relevant unsaturated ketoethers: kinetics, products and mechanisms for the reaction of hydroxyl radicals with (&lt;i&gt;E&lt;/i&gt;)-4-methoxy-3-buten-2-one and 1-(&lt;i&gt;E&lt;/i&gt;)-1-methoxy-2-methyl-1-penten-3-one

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Atmospheric fate of two relevant unsaturated ketoethers: kinetics, products and mechanisms for the reaction of hydroxyl radicals with (<i>E</i>)-4-methoxy-3-buten-2-one and 1-(<i>E</i>)-1-methoxy-2-methyl-1-penten-3-one