Modeling of simulated photochemical smog with kinetic mechanisms. Volume 2. Interim report appendix. Interim report, July 1976-July 1978

Technical Report · Mon Jan 01 04:00:00 EST 1979

OSTI ID:5643713

Whitten, G Z; Hogo, H; Meldgin, M J; Killus, J P; Bekowies, P J

Computer modeling of smog chamber data is discussed in three parts. First, a series of detailed chemical mechanisms were developed to describe the photochemical formation of ozone from nitrogen oxides and the following organic compounds (alone and in various combinations): formaldehyde, acetaldehyde, ethylene, propylene, butane, 1-butene, trans-2-butene, and 2,3-dimethylbutane. Second, a generalized kinetic scheme intended for use in models simulating the formation of ozone in urban atmospheres was refined. The generalized mechanism includes a condensed version of the detailed mechanisms developed in the first part plus a semi-empirical scheme to describe the oxidation of aromatic hydrocarbons. Third, the effects of smog chambers on ozone formation were examined. For this part of the study, similar experiments using nitrogen oxides and propylene in eight different smog chambers were simulated using the detailed propylene mechanism. The main chamber effects identified thus far are apparently due to nitrogen oxides degassing from the walls during experiments and differences between chambers in the spectral distribution of ultraviolet irradiation. Volume 2 contains graphs of measured and simulated pollutant concentrations for many smog chamber experiments.

• Research Organization: Systems Applications, Inc., San Rafael, CA (USA)
• OSTI ID: 5643713
• Report Number(s): PB-290508
• Country of Publication: United States
• Language: English

Related Subjects

500200* -- Environment
Atmospheric-- Chemicals Monitoring & Transport-- (-1989)
54 ENVIRONMENTAL SCIENCES
ACETALDEHYDE
AIR POLLUTION
ALDEHYDES
ALKANES
ALKENES
BUTANE
BUTENES
CHALCOGENIDES
CHEMICAL REACTIONS
ETHYLENE
FORMALDEHYDE
HYDROCARBONS
KINETICS
MATHEMATICAL MODELS
NITROGEN COMPOUNDS
NITROGEN OXIDES
ORGANIC COMPOUNDS
OXIDES
OXYGEN COMPOUNDS
OZONE
PHOTOCHEMICAL REACTIONS
POLLUTION
PROPYLENE
REACTION KINETICS
SMOG