A comparison of chemical mechanisms based on TRAMP-2006 field data

Shuang Chen, Xinrong Ren, Jingqiu Mao, Zhong Chen, William Henry Brune, Barry Lefer, Bernhard Rappenglück, James Flynn, Jennifer Olson, James H. Crawford

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Abstract

A comparison of a model using five widely known mechanisms (RACM, CB05, LaRC, SAPRC-99, SAPRC-07, and MCMv3.1) has been conducted based on the TexAQS II Radical and Aerosol Measurement Project (TRAMP-2006) field data in 2006. The concentrations of hydroxyl (OH) and hydroperoxy (HO 2 ) radicals were calculated by a zero-dimensional box model with each mechanism and then compared with the OH and HO 2 measurements. The OH and HO 2 calculated by the model with different mechanisms show similarities and differences with each other and with the measurements. First, measured OH and HO 2 are generally greater than modeled for all mechanisms, with the median modeled-to-measured ratios ranging from about 0.8 (CB05) to about 0.6 (SAPRC-99). These differences indicate that either measurement errors, the effects of unmeasured species or chemistry errors in the model or the mechanisms, with some errors being independent of the mechanism used. Second, the modeled and measured ratios of HO 2 /OH agree when NO is about 1 ppbv, but the modeled ratio is too high when NO was less and too low when NO is more, as seen in previous studies. Third, mechanism-mechanism HO x differences are sensitive to the environmental conditions - in more polluted conditions, the mechanism-mechanism differences are less. This result suggests that, in polluted conditions, the mechanistic details are less important than in cleaner conditions, probably because of the dominance of reactive nitrogen chemistry under polluted conditions.

Original languageEnglish (US)
Pages (from-to)4116-4125
Number of pages10
JournalAtmospheric Environment
Volume44
Issue number33
DOIs
StatePublished - Oct 1 2010

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environmental conditions
aerosol
comparison
chemical
nitrogen
effect
project

All Science Journal Classification (ASJC) codes

  • Environmental Science(all)
  • Atmospheric Science

Cite this

Chen, S., Ren, X., Mao, J., Chen, Z., Brune, W. H., Lefer, B., ... Crawford, J. H. (2010). A comparison of chemical mechanisms based on TRAMP-2006 field data. Atmospheric Environment, 44(33), 4116-4125. https://doi.org/10.1016/j.atmosenv.2009.05.027
Chen, Shuang ; Ren, Xinrong ; Mao, Jingqiu ; Chen, Zhong ; Brune, William Henry ; Lefer, Barry ; Rappenglück, Bernhard ; Flynn, James ; Olson, Jennifer ; Crawford, James H. / A comparison of chemical mechanisms based on TRAMP-2006 field data. In: Atmospheric Environment. 2010 ; Vol. 44, No. 33. pp. 4116-4125.
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Chen, S, Ren, X, Mao, J, Chen, Z, Brune, WH, Lefer, B, Rappenglück, B, Flynn, J, Olson, J & Crawford, JH 2010, 'A comparison of chemical mechanisms based on TRAMP-2006 field data', Atmospheric Environment, vol. 44, no. 33, pp. 4116-4125. https://doi.org/10.1016/j.atmosenv.2009.05.027

A comparison of chemical mechanisms based on TRAMP-2006 field data. / Chen, Shuang; Ren, Xinrong; Mao, Jingqiu; Chen, Zhong; Brune, William Henry; Lefer, Barry; Rappenglück, Bernhard; Flynn, James; Olson, Jennifer; Crawford, James H.

In: Atmospheric Environment, Vol. 44, No. 33, 01.10.2010, p. 4116-4125.

Research output: Contribution to journalArticle

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