Reactivity scales as comparative tools for chemical mechanisms.
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.
Derwent
Richard G
RG
Rdscientific, Newbury, Berkshire, United Kingdom. r.derwent@btopenworld.com
Jenkin
Michael E
ME
Pilling
Michael J
MJ
Carter
William P L
WP
Kaduwela
Ajith
A
D000447:Aldehydes / Q000737:chemistry; D000465:Algorithms; D000473:Alkanes / Q000737:chemistry; D004784:Environmental Monitoring / Q000592:standards* / Q000706:statistics & numerical data; D006841:Hydrocarbons, Aromatic / Q000737:chemistry; D007659:Ketones / Q000737:chemistry; D008956:Models, Chemical; D010083:Oxidants, Photochemical / Q000737:chemistry; D010126:Ozone / Q000737:chemistry
D000447:Aldehydes; D000473:Alkanes; D006841:Hydrocarbons, Aromatic; D007659:Ketones; D010083:Oxidants, Photochemical; D010126:Ozone