Reactivity scales as comparative tools for chemical mechanisms

J Air Waste Manag Assoc. 2010 Aug;60(8):914-24. doi: 10.3155/1047-3289.60.8.914.

Abstract

Incremental ozone impacts or reactivities have been calculated for selected organic compounds using a Master Chemical Mechanism (MCMv3.1) and compared with those calculated elsewhere with the SAPRC-07 chemical mechanism. The comparison of incremental reactivities has been completed for 116 organic compounds representing the alkanes, alkenes, aldehydes, ketones, aromatics, oxygenates, and halocarbons. Both mechanisms have constructed a consistent and coherent description of reactivity within each class of organics. MCMv3.1 and SAPRC-07 have represented some features of the available body of understanding concerning the atmospheric oxidation of organic compounds in a consistent and quantitative manner, although significant differences were found for 14 organic compounds. These differences represent species-dependent facets of their atmospheric chemistry that have not been adequately resolved in the available literature experimental data.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Aldehydes / chemistry
  • Algorithms
  • Alkanes / chemistry
  • Environmental Monitoring / standards*
  • Environmental Monitoring / statistics & numerical data
  • Hydrocarbons, Aromatic / chemistry
  • Ketones / chemistry
  • Models, Chemical
  • Oxidants, Photochemical / chemistry
  • Ozone / chemistry

Substances

  • Aldehydes
  • Alkanes
  • Hydrocarbons, Aromatic
  • Ketones
  • Oxidants, Photochemical
  • Ozone