A comparison of the performance of four air quality models for the Southern Oxidants Study episode in July 1999

Bailey, Elizabeth M.; Gautney, Larry L.; Kelsoe, J. J.; Jacobs, M. E.; Mao, Qi; Condrey, J. W.; Pun, Betty K.; Wu, S. C.; Seigneur, Christian; Douglas, S.G.; Haney, Jay

doi:10.1029/2005jd007021

Cited by 15 publications

(28 citation statements)

References 37 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…When averaged over all stations (see Table 4), the performance goal is met for all species except nitrate, for which the performance criterion is met. These results are consistent with PM model performance obtained in previous studies (Zhang et al, 2006;Bailey et al, 2007;Russell, 2008) and are, therefore, considered to be satisfactory.…”

Section: Comparisons To Observationssupporting

confidence: 81%

“…We assume that the yield of SVOC from phenol is analogous to the yield of SVOC from cresol (Pun and Seigneur, 2007). Table 3c presents the cresol and phenol oxidation chemistry.…”

Section: Soa Formation In Cb05 and Racm2mentioning

confidence: 99%

“…For the benzene scheme, phenol is now explicitly speciated as a product of benzene oxidation (Goliff and Stockwell, 2010). This speciation of phenol is important because the oxidation of phenol leads to the formation of aromatic compounds, which are SOA precursors (Pun and Seigneur, 2007).…”

Section: Chemical Kinetic Mechanismsmentioning

confidence: 99%

“…Activity coefficients of organic compounds are calculated for both the organic phase and the aqueous phase using UNIFAC (see Pun et al (2002) for details regarding the computational implementation of the gas/particle partitioning and activity calculations). Oligomerization is represented according to the pHdependent parametrization of Pun and Seigneur (2007), which applies to aqueous-phase oxo-SOA (i.e., BiA0D). In addition, it is assumed that glyoxal and methylglyoxal can oligomerize and thereby contribute to SOA formation; following Pun and Seigneur (2007), empirical gas/particle partitioning coefficients were used to that end (9.1 × 10 −6 (µg/µg water)/(µg/m 3 air) for glyoxal and 5.6 × 10 −12 (µg/µg water)/(µg/m 3 air) for methylglyoxal).…”

Section: Soa Modulementioning

confidence: 99%

“…Oligomerization is represented according to the pHdependent parametrization of Pun and Seigneur (2007), which applies to aqueous-phase oxo-SOA (i.e., BiA0D). In addition, it is assumed that glyoxal and methylglyoxal can oligomerize and thereby contribute to SOA formation; following Pun and Seigneur (2007), empirical gas/particle partitioning coefficients were used to that end (9.1 × 10 −6 (µg/µg water)/(µg/m 3 air) for glyoxal and 5.6 × 10 −12 (µg/µg water)/(µg/m 3 air) for methylglyoxal).…”

Section: Soa Modulementioning

confidence: 99%

See 4 more Smart Citations

Formation of secondary aerosols over Europe: comparison of two gas-phase chemical mechanisms

2011

Self Cite

View full text Add to dashboard Cite

Abstract. The impact of two recent gas-phase chemical kinetic mechanisms (CB05 and RACM2) on the formation of secondary inorganic and organic aerosols is compared for simulations of PM 2.5 over Europe between 15 July and 15 August 2001. The host chemistry transport model is Polair3D of the Polyphemus air-quality platform. Particulate matter is modeled with a sectional aerosol model (SIREAM), which is coupled to the thermodynamic model ISORROPIA for inorganic species and to a module (MAEC) that treats both hydrophobic and hydrophilic species for secondary organic aerosol (SOA). Modifications are made to the gasphase chemical mechanisms to handle the formation of SOA. In order to isolate the effect of the original chemical mechanisms on PM formation, the addition of reactions and chemical species needed for SOA formation was harmonized to the extent possible between the two gas-phase chemical mechanisms. Model performance is satisfactory with both mechanisms for speciated PM 2.5 . The monthly-mean difference of the concentration of PM 2.5 is less than 1 µg m −3 (6%) over the entire domain. Secondary chemical components of PM 2.5 include sulfate, nitrate, ammonium and organic aerosols, and the chemical composition of PM 2.5 is not significantly different between the two mechanisms. Monthly-mean concentrations of inorganic aerosol are higher with RACM2 than with CB05 (+16% for sulfate, +11% for nitrate, and +10% for ammonium), whereas the concentrations of organic aerosols are slightly higher with CB05 than with RACM2 (+22% for anthropogenic SOA and +1% for biogenic SOA). Differences in the inorganic and organic aerosols result primarily from differences in oxidant concentrations (OH, O 3 and NO 3 ). Nitrate formation tends to be HNO 3 -limited over land and differences in the concentrations of nitrate are due to differences in concentration of HNO 3 . Differences in aerosols formedCorrespondence to: Y. Kim (kimy@cerea.enpc.fr) from aromatic SVOC are due to different aromatic oxidation between CB05 and RACM2. The aromatic oxidation in CB05 leads to more cresol formation, which then leads to more SOA. Differences in the aromatic aerosols would be significantly reduced with the recent CB05-TU mechanism for toluene oxidation. Differences in the biogenic aerosols are due to different oxidant concentrations (monoterpenes) and different particulate organic mass concentrations affecting the gas-particle partitioning of SOA (isoprene). These results show that the formulation of a gas-phase chemical kinetic mechanism for ozone can have significant direct (e.g., cresol formation) and indirect (e.g., oxidant levels) effects on PM formation. Furthermore, the incorporation of SOA into an existing gas-phase chemical kinetic mechanism requires the addition of reactions and product species, which should be conducted carefully to preserve the original mechanism design and reflect current knowledge of SOA formation processes (e.g., NO x dependence of some SOA yields). The development of chemical kinetic mechanisms, which offer suff...

show abstract

Section: Comparisons To Observationssupporting

confidence: 81%

“…We assume that the yield of SVOC from phenol is analogous to the yield of SVOC from cresol (Pun and Seigneur, 2007). Table 3c presents the cresol and phenol oxidation chemistry.…”

Section: Soa Formation In Cb05 and Racm2mentioning

confidence: 99%

Section: Chemical Kinetic Mechanismsmentioning

confidence: 99%

Section: Soa Modulementioning

confidence: 99%

Section: Soa Modulementioning

confidence: 99%

See 3 more Smart Citations

Formation of secondary aerosols over Europe: comparison of two gas-phase chemical mechanisms

2011

Self Cite

View full text Add to dashboard Cite

show abstract

Geographical Distribution and Transport of Atmospheric Particulate Matter

Pipal

Dubey²,

Singh³

et al. 2022

Airborne Particulate Matter

View full text Add to dashboard Cite

Impact of biogenic emissions on air quality over Europe and North America

Sartelet

Couvidat

Seigneur

et al. 2012

Atmospheric Environment

133

127

View full text Add to dashboard Cite

a b s t r a c tThis study aims to compare the relative impact of biogenic emissions on ozone (O 3 ) and particulate matter (PM) concentrations between North America (NA) and Europe. The simulations are conducted with the Polyphemus air quality modeling system over July and August 2006. Prior to the sensitivity study on the impact of biogenic emissions on air quality, the modeling results are compared to observational data, as well as to the concentrations obtained by other modeling teams of the Air Quality Model Evaluation International Initiative (AQMEII) study.Over Europe, three distinct emission inventories are used. Model performance is satisfactory for O 3 , PM 10 and PM 2.5 with all inventories with respect to the criteria described in the literature. Furthermore, the rmse and errors are lower than the average rmse and errors of the AQMEII simulations. Over North America, the model performance satisfies the criteria described in the literature for O 3 , PM 10 and PM 2.5 . Polyphemus results are within the range of the AQMEII model results. Although the rmse and errors are higher than the average of the AQMEII simulations for O 3 , they are lower for PM 10 and PM 2.5 .The impact of biogenic and anthropogenic emissions on O 3 and PM concentrations is studied by removing alternatively biogenic and anthropogenic emissions in distinct simulations. Because biogenic species interact strongly with NO x , the impact of biogenic emissions on O 3 concentrations varies with variations of the Volatile Organic Compound (VOC)/NO x ratio. This impact is larger over NA than Europe. O 3 decreases by 10e11% on average over Europe and 20% over NA. Locally, the relative impact is also higher in NA (60% maximum) than in Europe (35% maximum). O 3 decreases near large urban centers where biogenic emissions are large (e.g. Los Angeles, Chicago, Houston in NA, Milan in Europe).Most of secondary organic aerosols (SOA) formed at the continental scale over Europe and NA are biogenic aerosols. Eliminating biogenic emissions reduces SOA by 72e88% over Europe and by 90% over NA. However, biogenic SOA are not only impacted by biogenic but also by anthropogenic emissions: eliminating all anthropogenic emissions affects oxidant levels and the absorbing carbon mass, reducing the formation of SOA by 15e16% over Europe and by about 10% over NA; Furthermore, locally, the reduction may be as large as 50%, especially over large urban centers in Europe and NA.

show abstract

A comparison of the performance of four air quality models for the Southern Oxidants Study episode in July 1999

Cited by 15 publications

References 37 publications

Formation of secondary aerosols over Europe: comparison of two gas-phase chemical mechanisms

Formation of secondary aerosols over Europe: comparison of two gas-phase chemical mechanisms

Geographical Distribution and Transport of Atmospheric Particulate Matter

Impact of biogenic emissions on air quality over Europe and North America

Contact Info

Product

Resources

About