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Yields of oxidized volatile organic compounds during the OH radical initiated oxidation of isoprene, methyl vinyl ketone, and methacrolein under high-NO_x conditions

Galloway, M. M. and Huisman, A. J. and Yee, L. D. and Chan, A. W. H. and Loza, C. L. and Seinfeld, J. H. and Keutsch, F. N. (2011) Yields of oxidized volatile organic compounds during the OH radical initiated oxidation of isoprene, methyl vinyl ketone, and methacrolein under high-NO_x conditions. Atmospheric Chemistry and Physics, 11 (21). pp. 10779-10790. ISSN 1680-7316. https://resolver.caltech.edu/CaltechAUTHORS:20111220-101336070

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Abstract

We present first-generation and total production yields of glyoxal, methylglyoxal, glycolaldehyde, and hydroxyacetone from the oxidation of isoprene, methyl vinyl ketone (MVK), and methacrolein (MACR) with OH under high NO_x conditions. Several of these first-generation yields are not included in commonly used chemical mechanisms, such as the Leeds Master Chemical Mechanism (MCM) v. 3.2. The first-generation yield of glyoxal from isoprene was determined to be 2.1 (±0.6)%. Inclusion of first-generation production of glyoxal, glycolaldehyde and hydroxyacetone from isoprene greatly improves performance of an MCM based model during the initial part of the experiments. In order to further improve performance of the MCM based model, higher generation glyoxal production was reduced by lowering the first-generation yield of glyoxal from C5 hydroxycarbonyls. The results suggest that glyoxal production from reaction of OH with isoprene under high NO_x conditions can be approximated by inclusion of a first-generation production term together with secondary production only via glycolaldehyde. Analogously, methylglyoxal production can be approximated by a first-generation production term from isoprene, and secondary production via MVK, MACR and hydroxyacetone. The first-generation yields reported here correspond to less than 5% of the total oxidized yield from isoprene and thus only have a small effect on the fate of isoprene. However, due to the abundance of isoprene, the combination of first-generation yields and reduced higher generation production of glyoxal from C5 hydroxycarbonyls is important for models that include the production of the small organic molecules from isoprene.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.5194/acp-11-10779-2011DOIArticle
http://www.atmos-chem-phys.net/11/10779/2011/acp-11-10779-2011.htmlPublisherArticle
ORCID:
AuthorORCID
Galloway, M. M.0000-0002-8518-1888
Chan, A. W. H.0000-0001-7392-4237
Seinfeld, J. H.0000-0003-1344-4068
Additional Information:© 2011 Author(s). Published by Copernicus Publications on behalf of the European Geosciences Union. This work is distributed under the Creative Commons Attribution 3.0 License. Received: 29 March 2011. Published in Atmos. Chem. Phys. Discuss.: 6 April 2011. Revised: 20 October 2011. Accepted: 22 October 2011. Published: 2 November 2011. The authors would like to thank Sam Henry and Aster Kammrath for instrumental assistance and Beth Kautzman for help with experimental setup and execution as well as Tzung-May Fu and Jenny Stavrakou for assistance with model comparisons. This work was supported by the National Science Foundation grant ATM-0852406, US Environmental Protection Agency STAR grant RD-833749. It has not been formally reviewed by the EPA. The views expressed in this document are solely those of the authors and the EPA does not endorse any products in this publication. Edited by: V. F. McNeill.
Funders:
Funding AgencyGrant Number
NSFATM-0852406
Environmental Protection Agency (EPA)RD-833749
Issue or Number:21
Record Number:CaltechAUTHORS:20111220-101336070
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20111220-101336070
Official Citation:Galloway, M. M., Huisman, A. J., Yee, L. D., Chan, A. W. H., Loza, C. L., Seinfeld, J. H., and Keutsch, F. N.: Yields of oxidized volatile organic compounds during the OH radical initiated oxidation of isoprene, methyl vinyl ketone, and methacrolein under high-NOx conditions, Atmos. Chem. Phys., 11, 10779-10790, doi:10.5194/acp-11-10779-2011, 2011.
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:28531
Collection:CaltechAUTHORS
Deposited By: Ruth Sustaita
Deposited On:21 Dec 2011 21:43
Last Modified:03 Oct 2019 03:33

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