Studies in photochemical smog chemistry. I. Atmospheric chemistry of toluene. II. Analysis of chemical reaction mechanisms for photochemical smog

Thesis/Dissertation · Tue Jan 01 00:00:00 EST 1985

OSTI ID:5327564

Leone, J A

This study focuses on two related topics in the gas phase organic chemistry of importance in urban air pollution. Part I describes an experimental and modeling effort aimed at developing a new explicit reaction mechanism for the atmospheric photooxidation of toluene. This mechanism is tested using experimental data from both indoor and outdoor smog chamber facilities. The predictions of the new reaction mechanism are found to be in good agreement with both sets of experimental data. Additional simulations performed with the new mechanism are used to investigate various mechanistic paths, and to gain insight into areas where the understanding is not complete. The outdoor experimental facility, which was built to provide the second set of experimental data, consists of a 65 cubic meter teflon smog chamber together with full instrumentation capable of measuring ozone, nitrogen dioxide, nitric oxide, peroxyacetyl nitrate (PAN), carbon monoxide, relative humidity, temperature, aerosol size distributions, and of course toluene and its photooxidation products. In Part II, a theoretical analysis of lumped chemical reaction mechanisms for photochemical smog is presented. Included is a description of a new counter species analysis technique which can be used to analyze any complex chemical reaction mechanism. Finally, a new lumped mechanism for photochemical smog is developed and tested against experimental data from two smog chamber facilities. Advantages of this mechanism relative to the existing lumped mechanisms are discussed.

• Research Organization: California Inst. of Tech., Pasadena (USA)
• OSTI ID: 5327564
• Resource Relation: Other Information: Thesis (Ph. D.)
• Country of Publication: United States
• Language: English

Related Subjects

54 ENVIRONMENTAL SCIENCES
CARBON MONOXIDE
AEROSOL MONITORING
DIFFUSION CHAMBERS
DESIGN
NITRIC OXIDE
NITROGEN DIOXIDE
OZONE
PEROXYACETYL NITRATE
SMOG
CHEMICAL COMPOSITION
PHOTOCHEMICAL REACTIONS
TOLUENE
ATMOSPHERIC CHEMISTRY
AIR POLLUTION
HUMIDITY
MATHEMATICAL MODELS
PARTICLE SIZE
PHOTOCHEMICAL OXIDANTS
AIR POLLUTION MONITORING
ALKYLATED AROMATICS
AROMATICS
CARBON COMPOUNDS
CARBON OXIDES
CHALCOGENIDES
CHEMICAL REACTIONS
CHEMISTRY
ESTERS
HYDROCARBONS
MONITORING
NITRATES
NITRIC ACID ESTERS
NITROGEN COMPOUNDS
NITROGEN OXIDES
ORGANIC COMPOUNDS
OXIDES
OXYGEN COMPOUNDS
POLLUTION
SIZE
500200* - Environment
Atmospheric- Chemicals Monitoring & Transport- (-1989)