Mathematical simulation of smog chamber photochemical experiments. Final report, June 1973-74

Technical Report · Fri Nov 01 04:00:00 EST 1974

OSTI ID:7368402

Hecht, T A; Liu, M; Whitney, D C

This report deals with the continued development and testing of a general kinetic mechanism for photochemical smog formation. In line with recent experimental measurements, several rate constant values were updated, and simulations of several n-butane/NOx, propylene/NOx, and n-butane/propylene/NOx smog chamber experiments were repeated. The predictions made tend to be best at high ratios of initial hydrocarbons to NOx. A sensitivity analysis of the mechanism was carried out, and the results were combined with uncertainty estimates of the rate constants to quantify the importance of determining individual rate constants with greater accuracy. Operating parameters of the University of California, Riverside, (UCR) evacuable smog chamber were considered in detail; experimental data from this chamber will soon be used to test the mechanism further. Finally, the report discusses the validity of the steady-state approximation in simulating smog chamber experiments and some techniques for mathematically combining a number of similar organic species into general groupings. (GRA)

• Research Organization: Systems Applications, Inc., San Rafael, Calif. (USA)
• OSTI ID: 7368402
• Report Number(s): PB-238094; R-74-9
• Country of Publication: United States
• Language: English

Related Subjects

500100* -- Environment
Atmospheric-- Basic Studies-- (-1989)
54 ENVIRONMENTAL SCIENCES
ALKANES
ALKENES
CHALCOGENIDES
CHEMISTRY
HYDROCARBONS
KINETICS
MATHEMATICAL MODELS
NITROGEN COMPOUNDS
NITROGEN OXIDES
ORGANIC COMPOUNDS
OXIDES
OXYGEN COMPOUNDS
OZONE
PHOTOCHEMISTRY
REACTION KINETICS
SMOG
STEADY-STATE CONDITIONS