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Part C
Simulation Results of Propylene Experiments
Performed at Various Chambers
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TECHNICAL REPORT DATA
(Please read Instructions on the reverse before completing)
1. REPORT NO.
EPA-600/3-79-001b
3. RECIPIENT'S ACCESSION-NO.
4. TITLE AND SUBTITLE
MODELING OF SIMULATED PHOTOCHEMICAL SMOG WITH KINETIC
MECHANISMS Volume 2. Interim Report Appendix
5. REPORT DATE
January 1979
6. PERFORMING ORGANIZATION CODE
7. AUTHOR(S)
G. Z. Whitten, H. Hogo, M.J. Meldgin, J.P. Killus,
and P.O. Bekowies
8. PERFORMING ORGANIZATION REPORT NO.
EF78-121B
9. PERFORMING ORGANIZATION NAME AND ADDRESS
Systems Applications, Incorporated
950 Northgate Drive
San Rafael, California 94903
10. PROGRAM ELEMENT NO.
1AA6Q3 AC-19 (FY-78)
1. CONTRACT/GRANT NO.
11. CONTRACT/GRANT
Contract No. 68-02-2428
12. SPONSORING AGENCY NAME AND ADDRESS
13. TYPE OF REPORT AND PERIOD COVERED
Environmental Sciences Research Laboratory-RTP, NC
Office of Research and Development
U.S. Environmental Protection Agency
Research Triangle Park, N.C. 27711
Interim 7/76-7/78
14. SPONSORING AGENCY CODE
EPA/600/09
15. SUPPLEMENTARY NOTES
Volume 1. Interim Report EPA-600/3-79-001a
16. ABSTRACT
Computer modeling of smog chamber data is discussed in three parts. First,
a series of detailed chemical mechanisms were developed to describe the photo-
chemical 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 1 contains all textual material. Volume 2 contains graphs of measured anc
simulated pollutant concentrations for many smog chamber experiments.
17.
KEY WORDS AND DOCUMENT ANALYSIS
DESCRIPTORS
b.lDENTIFIERS/OPEN ENDED TERMS
c. COSATI Field/Group
Air pollution
Reaction kinetics
Photochemical reactions
Test chambers
Mathematical models
Computerized simulation
13B
07D
07E
14B
12A
09B
18. DISTRIBUTION STATEMENT
RELEASE TO PUBLIC
19. SECURITY CLASS (This Report I
UNCLASSIFIED
21. NO. OF PAGES
414
20. SECURITY CLASS (Thispage)
UNCLASSIFIED
22. PRICE
EPA Form 2220-1 (9-73)
406
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