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Ozone Formation Potential of Organic Compounds in the Eastern United States: A Comparison of Episodes, Inventories, and Domains

Hakami, Amir and Bergin, Michelle S. and Russell, Armistead G. (2004) Ozone Formation Potential of Organic Compounds in the Eastern United States: A Comparison of Episodes, Inventories, and Domains. Environmental Science and Technology, 38 (24). pp. 6748-6759. ISSN 0013-936X. doi:10.1021/es035471a.

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Direct sensitivity analysis is applied for 3-D assessment of ozone reactivity (or ozone formation potential) in the Eastern United States. A detailed chemical mechanism (SAPRC-99) is implemented in a multiscale air quality model to calculate the reactivity of 32 explicit and 9 lumped compounds. Simulations are carried out for two different episodes and two different emission scenarios. While absolute reactivities of VOCs show a great deal of spatial variability, relative reactivities (normalized to the reactivity of a base mixture) produce a significantly more homogeneous field. Three types of domain-wide relative reactivity metrics are formed for 1-h and 8-h averaging intervals. In general, ozone reactivity metrics (with the exception of those based on daily peak ozone) are fairly robust and consistent between different episodes or emission scenarios. The 3-D metrics also show fairly similar rankings for VOC reactivity when compared to the box model scales. However, the 3-D metrics have a noticeably narrower range for species reactivities, as they result in lower reactivity for some of the more reactive, radical-producing VOCs (especially aldehydes). As expected, episodes and emission scenarios with less radical availability have higher absolute reactivities for all species and higher relative reactivities for the more radical-producing species. Finally, comparing the results with those from a different domain (central California) shows that relative reactivity metrics are comparable over these two significantly different domains.

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Additional Information:© 2004 American Chemical Society. Received for review December 30, 2003. Revised manuscript received August 5, 2004. Accepted August 17, 2004. Publication Date (Web): November 16, 2004. This work was supported by the American Chemistry Council and the California Air Resources Board and by funding from U.S. EPA under contracts RD-83096001 and RD-82897601. The authors are grateful to Dr. William Carter for his kind help, in particular with base mixture composition and least-squares metric definition. We also thank Dr. Jana Milford for providing the SAPRC-99 mechanism used in this study. The spatial plots in this paper are produced using PAVE by MCNC.
Funding AgencyGrant Number
American Chemistry CouncilUNSPECIFIED
California Air Resources BoardUNSPECIFIED
Environmental Protection Agency (EPA)RD-83096001
Environmental Protection Agency (EPA)RD-82897601
Issue or Number:24
Record Number:CaltechAUTHORS:20170315-102221379
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Official Citation:Ozone Formation Potential of Organic Compounds in the Eastern United States:  A Comparison of Episodes, Inventories, and Domains Amir Hakami, Michelle S. Bergin, and Armistead G. Russell, Environmental Science & Technology 2004 38 (24), 6748-6759 DOI: 10.1021/es035471a
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:75141
Deposited By: Tony Diaz
Deposited On:15 Mar 2017 18:19
Last Modified:15 Nov 2021 16:31

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