Chemical oxidant mechanisms for air quality modeling: critical review

Dodge, Marcia C.

doi:10.1016/s1352-2310(99)00461-6

Cited by 140 publications

(89 citation statements)

References 50 publications

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“…The chemical mechanism used to calculate PFP is CBM-IV. It is a lumped structure mechanism where organics are represented using 12 species (Dodge, 2000). PAR represents alkanes and most single-bonded carbon atoms found in other organics.…”

Section: Paa and Vocsmentioning

confidence: 99%

Peroxyacetic acid in urban and rural atmosphere: concentration, feedback on PAN-NO<sub>x</sub> cycle and implication on radical chemistry

Zhang

Chen

et al. 2010

Atmos. Chem. Phys.

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Abstract. Peroxyacetic acid (PAA) is one of the most important atmospheric organic peroxides, which have received increasing attention for their potential contribution to the oxidation capacity of the troposphere and the formation of secondary aerosols. We report here, for the first time, a series of data for atmospheric PAA concentrations at urban and rural sites, from five field campaigns carried out in China in summer 2006, 2007 and 2008. For these five measurements, daytime mean (08:00-20:00 LT) PAA concentrations on sunlit days were 21.4-148.0 pptv with a maximum level of ∼1 ppbv. The various meteorological and chemical parameters influencing PAA concentrations were examined using Principal Factor Analysis. This statistical analysis shows that the local photochemical production was the major source of PAA, and its concentration increased with increasing temperature, solar radiation and ozone but decreased with increasing NO x (NO and NO 2 ), CO, SO 2 , and relative humidity. Based on the dataset, several issues are highlighted in this study: (i) Because PAA is a product from the photochemical oxidation of some specific volatile organic compounds (VOCs) that lead to acetyl peroxy radicals, the importance of various VOCs with respect to the PAA formation is therefore ranked using the incremental reactivity method. (ii) The contribution of PAN thermal degradation to PAA formation under conditions of different NO x concentrations is estimated based on the chemical kinetics analysis. The result shows that PAN seems to play an important role in the formation of PAA when the NO/NO 2 concentration ratio was less than 0.2 and PAA would correspondingly have feedback on the PAN-NO x cycle. (iii) PAA and other peroxides, such as methyl Correspondence to: Z. M. Chen (zmchen@pku.edu.cn) hydroperoxide (MHP) and H 2 O 2 , usually exhibited a similar asymmetric shape typically shifted to the afternoon. However, under some conditions, H 2 O 2 diurnal cycle was out of phase with MHP and PAA. The combination of linear regression and kinetics analysis indicate that the formation and removal processes of H 2 O 2 may be different from those of MHP and PAA. (iv) Considering that PAA is the reservior of free radicals, its fate is expected to have an effect on the free radical budget in the atmosphere. A box model based on the CBM-IV mechanism has been performed to access its influence on the radical budget. We suggest that the detailed information on PAA in the atmosphere is of importance to better understand the free radical chemistry.

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Section: Paa and Vocsmentioning

confidence: 99%

Peroxyacetic acid in urban and rural atmosphere: concentration, feedback on PAN-NO<sub>x</sub> cycle and implication on radical chemistry

Zhang

Chen

et al. 2010

Atmos. Chem. Phys.

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“…Cette méthode ne tient pas compte de l'individualité chimique des molécules ce qui la rend inadaptée au suivi des composés organiques. Les mécanismes chimiques connus sous le nom de « Carbon Bond » (Whitten et al, 1980 ;CBM-IV : Gery et al, 1989 ;CBM-Z : Zaveri and Peters, 1999) (Dodge, 2000 ;Gross and Stockwell, 2003 ;Jimenez et al, 2003 Brasseur et al, 1998 ;Mahmud and Barsanti, 2013).…”

Section: H?kunclassified

Regional Modeling of Aerosol Chemical Composition at the Puy de Dôme (France)

Barbet

Deguillaume

Chaumerliac

et al. 2016

Springer Proceedings in Complexity

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RemerciementsCes années de thèse se sont déroulées au sein du Laboratoire de Météorologie Physique dont le directeur était Wolfram Wobrock, puis Joël Van Baelen. Je tiens tout d'abord à les remercier tous deux de m'avoir accueillie au sein de ce laboratoire et ce depuis ma première année de Master.Je souhaite remercier sincèrement mes deux directeurs de thèse, Nadine Chaumerliac et Laurent Deguillaume qui, tout au long de ces années, m'ont suivie et encouragée. Les discussions que nous avons eues et les conseils qu'ils m'ont prodigués se sont toujours révélés fructueux et formateurs. Pour cela, je tiens à leur témoigner ma gratitude et mon respect.

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“…For example, mobile emission can be estimated by using several models like COPERT (Ntziachristos et al, 2009), MOVES (U.S. EPA, 2009a) and IVE (Davis et al, 2005 (Dodge, 2000). Consequently, when chemical transformations are going to be considered in the AQMs, ''inventory species'' must be converted to ''model species'' through the use of speciation profiles.…”

Section: Wwwintechopencommentioning

confidence: 99%

New Approaches for Urban and Regional Air Pollution Modelling and Management

Puliafito¹,

Allende²,

Fernández³

et al. 2011

Advanced Air Pollution

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Chemical oxidant mechanisms for air quality modeling: critical review

Cited by 140 publications

References 50 publications

Peroxyacetic acid in urban and rural atmosphere: concentration, feedback on PAN-NO<sub>x</sub> cycle and implication on radical chemistry

Peroxyacetic acid in urban and rural atmosphere: concentration, feedback on PAN-NO<sub>x</sub> cycle and implication on radical chemistry

Regional Modeling of Aerosol Chemical Composition at the Puy de Dôme (France)

New Approaches for Urban and Regional Air Pollution Modelling and Management

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Chemical oxidant mechanisms for air quality modeling: critical review

Cited by 140 publications

References 50 publications

Peroxyacetic acid in urban and rural atmosphere: concentration, feedback on PAN-NO&lt;sub&gt;x&lt;/sub&gt; cycle and implication on radical chemistry

Peroxyacetic acid in urban and rural atmosphere: concentration, feedback on PAN-NO&lt;sub&gt;x&lt;/sub&gt; cycle and implication on radical chemistry

Regional Modeling of Aerosol Chemical Composition at the Puy de Dôme (France)

New Approaches for Urban and Regional Air Pollution Modelling and Management

Contact Info

Product

Resources

About

Peroxyacetic acid in urban and rural atmosphere: concentration, feedback on PAN-NO<sub>x</sub> cycle and implication on radical chemistry

Peroxyacetic acid in urban and rural atmosphere: concentration, feedback on PAN-NO<sub>x</sub> cycle and implication on radical chemistry