Condensed atmospheric photooxidation mechanisms for isoprene

Abstract Two condensed mechanisms for the atmospheric reactions of isoprene, which differ in the number of species used to represent isoprene's reactive products, have been developed for use in ambient air quality modehng. They are based on a detailed isoprene mechanism that has recently been developed and extensively evaluated against environmental chamber data. The new condensed mechanisms give very close predictions to those of the detailed mechanism for ozone, OH radicals, nitric acid, H2O2, formaldehyde, total PANS, and for incremental effects of isoprene on ozone formation in one day simulations. The effects of the condensations become somewhat greater in multi-day simulations, particularly in cases where NO3 reactions are important at nighttime, but the ozone predictions are still very close. On the other hand, the SAPRC-90, RADM-2, and Carbon Bond IV isoprene mechanisms give quite different predictions of these quantities. It is recommended that the new mechanisms replace those currently used in airshed simulations where isoprene emissions are important.

[1]  CALCULATION OF REACTIVITY SCALES USING AN UPDATED CARBON BOND IV MECHANISM , 1994 .

[2]  Y. Yokouchi Seasonal and diurnal variation of isoprene and its reaction products in a semi-rural area , 1994 .

[3]  Sanford Sillman,et al.  The sensitivity of ozone to nitrogen oxides and hydrocarbons in regional ozone episodes , 1990 .

[4]  Roger Atkinson,et al.  Development and evaluation of a detailed mechanism for the atmospheric reactions of isoprene and NOx , 1996 .

[5]  J. Seinfeld,et al.  Development and evaluation of a photooxidation mechanism for isoprene , 1992 .

[6]  W. Carter Development of Ozone Reactivity Scales for Volatile Organic Compounds , 1994 .

[7]  W. Carter,et al.  Computer modeling study of incremental hydrocarbon reactivity , 1989 .

[8]  Randal S. Martin,et al.  Measurement of isoprene and its atmospheric oxidation products in a central Pennsylvania deciduous forest , 1991 .

[9]  D. Jacob,et al.  Isoprene and its oxidation products: Methacrolein and methyl vinyl ketone , 1990 .

[10]  W. Stockwell,et al.  The second generation regional acid deposition model chemical mechanism for regional air quality modeling , 1990 .

[11]  S. Montzka,et al.  Isoprene and its oxidation products, methyl vinyl ketone and methacrolein, in the rural troposphere , 1993 .

[12]  Crispin Jenkinson,et al.  Development and Testing of the UK SF-12 , 1997 .

[13]  W. Carter A detailed mechanism for the gas-phase atmospheric reactions of organic compounds , 1990 .

[14]  S. C. Liu,et al.  Models and observations of the impact of natural hydrocarbons on rural ozone , 1987, Nature.

[15]  S. Montzka,et al.  Measurements of 3‐methyl furan, methyl vinyl ketone, and methacrolein at a rural forested site in the southeastern United States , 1995 .

[16]  Environmental chamber studies of atmospheric reactivities of volatile organic compounds. Effects of varying chamber and light source. Final report , 1995 .

[17]  W. Carter Computer modeling of environmental chamber measurements of maximum incremental reactivities of volatile organic compounds , 1995 .

[18]  W. Chameides,et al.  The role of biogenic hydrocarbons in urban photochemical smog: Atlanta as a case study. , 1988, Science.