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Parameterized Yields of Semivolatile Products from Isoprene Oxidation under Different NO_x Levels: Impacts of Chemical Aging and Wall-Loss of Reactive Gases

Xing, Li and Shrivastava, Manish and Fu, Tzung-May and Roldin, Pontus and Qian, Yun and Xu, Lu and Ng, Nga L. and Shilling, John and Zelenyuk, Alla and Cappa, Christopher D. (2018) Parameterized Yields of Semivolatile Products from Isoprene Oxidation under Different NO_x Levels: Impacts of Chemical Aging and Wall-Loss of Reactive Gases. Environmental Science and Technology, 52 (16). pp. 9225-9234. ISSN 0013-936X. http://resolver.caltech.edu/CaltechAUTHORS:20180803-162243930

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Abstract

We developed a parametrizable box model to empirically derive the yields of semivolatile products from VOC oxidation using chamber measurements, while explicitly accounting for the multigenerational chemical aging processes (such as the gas-phase fragmentation and functionalization and aerosol-phase oligomerization and photolysis) under different NO_x levels and the loss of particles and gases to chamber walls. Using the oxidation of isoprene as an example, we showed that the assumptions regarding the NO_x-sensitive, multigenerational aging processes of VOC oxidation products have large impacts on the parametrized product yields and SOA formation. We derived sets of semivolatile product yields from isoprene oxidation under different NO_x levels. However, we stress that these product yields must be used in conjunction with the corresponding multigenerational aging schemes in chemical transport models. As more mechanistic insights regarding SOA formation from VOC oxidation emerge, our box model can be expanded to include more explicit chemical aging processes and help ultimately bridge the gap between the process-based understanding of SOA formation from VOC oxidation and the bulk-yield parametrizations used in chemical transport models.


Item Type:Article
Related URLs:
URLURL TypeDescription
https://dx.doi.org/10.1021/acs.est.8b00373DOIArticle
https://pubs.acs.org/doi/suppl/10.1021/acs.est.8b00373PublisherSupporting Information
ORCID:
AuthorORCID
Shrivastava, Manish0000-0002-9053-2400
Ng, Nga L.0000-0001-8460-4765
Shilling, John0000-0002-3728-0195
Zelenyuk, Alla0000-0002-0674-0910
Cappa, Christopher D.0000-0002-3528-3368
Alternate Title:Parameterized Yields of Semivolatile Products from Isoprene Oxidation under Different NOx Levels: Impacts of Chemical Aging and Wall-Loss of Reactive Gases
Additional Information:© 2018 American Chemical Society. Received: January 20, 2018. Revised: June 14, 2018. Accepted: July 20, 2018. Published: July 20, 2018. This work was supported by the Ministry of Science and Technology of China (2017YFC0209802, 2014CB441303), the National Natural Science Foundation of China (41222035, 41461164007), and the Chinese Scholarship Council. L.X. and N.L.N. acknowledge support from US National Science Foundation grant 1455588. The contributions of PNNL authors in this study were supported by the U.S. Department of Energy’s Office of Science as part of the Atmospheric System Research (ASR) program and the Regional and Global Climate Modeling Program. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under contract DE-AC05-76RL01830. The authors declare no competing financial interest.
Funders:
Funding AgencyGrant Number
Ministry of Science and Technology (China)2017YFC0209802
Ministry of Science and Technology (China)2014CB441303
National Natural Science Foundation of China41222035
National Natural Science Foundation of China41461164007
Chinese Scholarship CouncilUNSPECIFIED
NSFAGS-1455588
Department of Energy (DOE)DE-AC05-76RL01830
Record Number:CaltechAUTHORS:20180803-162243930
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20180803-162243930
Official Citation:Parameterized Yields of Semivolatile Products from Isoprene Oxidation under Different NOx Levels: Impacts of Chemical Aging and Wall-Loss of Reactive Gases. Li Xing, Manish Shrivastava, Tzung-May Fu, Pontus Roldin, Yun Qian, Lu Xu, Nga L. Ng, John Shilling, Alla Zelenyuk, and Christopher D. Cappa. Environmental Science & Technology 2018 52 (16), 9225-9234. DOI: 10.1021/acs.est.8b00373
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:88578
Collection:CaltechAUTHORS
Deposited By: George Porter
Deposited On:07 Aug 2018 14:29
Last Modified:29 Aug 2018 16:21

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