Reactivity estimates for aromatic compounds. Part 2. Uncertainty in incremental reactivities

Atmospheric Environment

Volumn 34, Issue 25, 2000, Pages 4349-4360

  Wang, Lihua ^a,c   Milford, Jana B ^a   Carter, W P L ^b  

^a UCB 450   (United States)

^b University of California Riverside   (United States)

^c GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

Ozone; Photochemistry; Uncertainty analysis

Indexed keywords

AROMATIC COMPOUNDS; MONTE CARLO METHODS; OXIDATION; PHOTOCHEMICAL REACTIONS; PROBABILITY; REACTION KINETICS; SAMPLING;

AROMATIC MECHANISM PARAMETERS; EQUAL BENEFIT INCREMENTAL REACTIVITIES; LATIN HYPERCUBE SAMPLING; MAXIMUM OZONE INCREMENTAL REACTIVITIES;

OZONE LAYER;

AROMATIC COMPOUND; OZONE; VOLATILE ORGANIC COMPOUND;

AROMATIC HYDROCARBON; REACTION KINETICS; VOLATILE ORGANIC COMPOUND;

ANALYTICAL ERROR; ARTICLE; ATMOSPHERE; EXPERIMENTAL MODEL; OXIDATION; PREDICTION; PRIORITY JOURNAL; REACTION ANALYSIS; STOICHIOMETRY; SYSTEM ANALYSIS; VALIDATION PROCESS;

EID: 0034718040     PISSN: 13522310     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1352-2310(00)00206-5     Document Type: Article

References (21)

1. 2 + M between 248 and 393 K and between 30 and 760 T. Journal of Physical Chemistry 95, 3594-3600.
2. Carter, W.P.L., 1990. A detailed mechanism for the gas-phase atmospheric reactions of organic compounds. Atmospheric Environment A 24, 481-518.
3. Carter, W.P.L., 1994. Development of ozone reactivity scales for volatile organic compounds. Journal of the Air and Waste Management Association 44, 881-899.
4. Carter, W.P.L., 1995. Computer modeling of environmental chamber measurements of maximum incremental reactivities of volatile organic compounds. Atmospheric Environment 29, 2513-2527.
5. Carter, W.P.L., 1996. Development and application of an updated photochemical mechanism for VOC reactivity assessment. Quarterly Report to the California Air Resources Board, Contract No. 92-329.
6. Carter, W.P.L., 1999. Documentation of the SAPRC-99 chemical mechanism for VOC reactivity assessment. Draft Report for the California Air Resources Board, Contract 92-329 and 95-308. Available at http://cert.ucr.edu/ ~ carter/absts. htm#saprc99.
7. Carter, W.P.L., Luo, D., Malkina, I.L., 1997. Environmental chamber studies for development of an updated photochemical mechanism for VOC reactivity assessment. Final Report to California Air Resources Board, Contract 92-345; Coordinating Research Council, Inc., Project M-9; National Renewable Energy Laboratory, Contract ZF-2-12252-07.
8. DeMore, W.B., Sander, S.P., Golden, D.M., Molina, M.J., Hampson, R.F., Kurylo, M.J., Howard, C.J., Ravishankara, A.R., Kolb, M.J., Molina, M.J., 1994. Chemical kinetics and photochemical data for use in stratospheric modeling. Evaluation No. 11, JPL Publ., 94-26.
9. DeMore, W.B., Golden, D.M., Hampson, R.F., Howard, C.J., Ravishankara, A.R., Kolb, M.J., Molina, M.J., 1997. Chemical kinetics and photochemical data for use in stratospheric modeling. Evaluation No. 12, JPL Publ. 97-4.
10. Dunker, A.M., 1984. The direct decoupled method for calculating sensitivity coefficients in chemical kinetics. Journal of Chemical Physics 81, 2385-2393.
11. Gery, M.W., Whitten, G.Z., Killus, J.P., Dodge, M.C., 1989. A photochemical mechanism for urban and regional scale computer modeling. Journal of Geophysical Research 94, 12925-12956.
12. Grosjean, D., Grosjean, E., Williams II, E.L., 1994. Thermal decomposition of PAN, PPN and Vinyl-PAN. Journal of the Air and Waste Management Association 44, 391-396.
13. Iman, R.L., Shortencarier, M.J., 1984. A FORTRAN77 program and user's guide for the generation of Latin hypercube and random samples for use with computer models. SAND83-2365, US Department of Energy, Sandia National Laboratory, Albuquerque, NM.
14. McBride, S.J., Oravetz, M.A., Russell, A.G., 1997. Cost-benefit and uncertainty issues in using organic reactivity to regulate urban ozone. Environmental Science and Technology/News 31, 238A-244A.
15. Neter, J., Kutner, M.H., Nachtsheim, C.J., Wasserman, W., 1996. Applied Linear Statistical Models. Irwin, Homewood, IL.
16. Stockwell, W.R., Middleton, P., Chang, J.S., Tang, X., 1990. The RADM2 chemical mechanism for regional air quality modeling. Journal of Geophysical Research 95, 16343-16367.
17. Stockwell, W.R., Yang, Y.J., Milford, J.B., 1994. A compilation of estimated uncertainty factors for rate constants in W.P.L. Carter's detailed mechanism. Prepared for the Automotive Emissions Cooperative Research Program under Coordinating Research Council, Inc. Contract No. AQIRP-19-92.
18. Wang, L., Milford, J.B., Carter, W.P.L., 1999. Reactivity estimates for aromatic compounds. Report to the California Air Resources Board, University of Colorado, Boulder and University of California, Riverside, June 1999.
19. Wang, L., Milford, J.B., Carter, W.P.L., 2000. Reactivity estimates for aromatic compounds. Part 1. Uncertainty in chamber-derived parameters. Atmospheric Environment 34, 4337-4348.
20. Yang, Y.J., Stockwell, W.R., Milford, J.B., 1995. Uncertainty in incremental reactivities of volatile organic compounds. Environmental Science and Technology 23, 1336-1345.
21. Yang, Y.J., Stockwell, W.R., Milford, J.B., 1996. Effect of chemical product yield uncertainties on reactivities of VOCs and emissions from reformulated gasolines and methanol fuels. Environmental Science and Technology 30, 1392-1397.