Significant Contributions of Isoprene to Summertime Secondary Organic Aerosol in Eastern United States. Ying, Q., Li, J., & Kota, S. H. ENVIRONMENTAL SCIENCE & TECHNOLOGY, 49(13):7834-7842, AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, DC 20036 USA, JUL 7, 2015.
doi  abstract   bibtex   
A modified SAPRC-11 (S11) photochemical mechanism with more detailed treatment of isoprene oxidation chemistry and additional secondary organic aerosol (SOA) formation through surface-Controlled, reactive uptake of dicarbonyls, isoprene epoxydiol and rnethacrylic acid epoxide was incorporated in tie Community Multiscale Air Quality Model (CMAQ) to quantitatively determine contributions of isoprene to Summertime ambient SOA concentrations in the eastern United States. The modified model utilizes a precursor-origin resolved approach to determine secondary glyoxal and methylglyoxal produced by oxidation Of isoprene and other major volatile organic compounds (VOCs). Predicted OC concentrations show good agreement with field measurements without significant bias (MFB similar to 0.07 and MFE similar to 0.50), and predicted SOA reproduces observed day-to-day and diurnal variation of Oxygenated Organic Aerosol (OOA) determined by an aerosol mass spectrometer (AMS) at two locations in Houston, Texas. On average, isoprene SOA accounts for 55.5% of total predicted near-surface SOA in the eastern U.S, followed by aromatic compounds (13.2%), sesquiterpenes (13.0%) and monoterpenes (10.9%). Aerosol surface uptake of isoprene-generated glyoxal, methylglyoxal and epoxydiol accounts for approximately 83% of total isoprene SOA or more than 45% of total SOA. A domain wide reduction of NO emissions by 40% leads to a slight decrease of domain average SOA by 3.6% and isoprene SOA by approximately 2.6%. Although most of the isoprene SOA component concentrations are decreased, SOA from isoprene epoxydiol is increased by similar to 16%.
@article{ WOS:000357840300042,
Author = {Ying, Qi and Li, Jingyi and Kota, Sri Harsha},
Title = {{Significant Contributions of Isoprene to Summertime Secondary Organic
   Aerosol in Eastern United States}},
Journal = {{ENVIRONMENTAL SCIENCE \& TECHNOLOGY}},
Year = {{2015}},
Volume = {{49}},
Number = {{13}},
Pages = {{7834-7842}},
Month = {{JUL 7}},
Abstract = {{A modified SAPRC-11 (S11) photochemical mechanism with more detailed
   treatment of isoprene oxidation chemistry and additional secondary
   organic aerosol (SOA) formation through surface-Controlled, reactive
   uptake of dicarbonyls, isoprene epoxydiol and rnethacrylic acid epoxide
   was incorporated in tie Community Multiscale Air Quality Model (CMAQ) to
   quantitatively determine contributions of isoprene to Summertime ambient
   SOA concentrations in the eastern United States. The modified model
   utilizes a precursor-origin resolved approach to determine secondary
   glyoxal and methylglyoxal produced by oxidation Of isoprene and other
   major volatile organic compounds (VOCs). Predicted OC concentrations
   show good agreement with field measurements without significant bias
   (MFB similar to 0.07 and MFE similar to 0.50), and predicted SOA
   reproduces observed day-to-day and diurnal variation of Oxygenated
   Organic Aerosol (OOA) determined by an aerosol mass spectrometer (AMS)
   at two locations in Houston, Texas. On average, isoprene SOA accounts
   for 55.5\% of total predicted near-surface SOA in the eastern U.S,
   followed by aromatic compounds (13.2\%), sesquiterpenes (13.0\%) and
   monoterpenes (10.9\%). Aerosol surface uptake of isoprene-generated
   glyoxal, methylglyoxal and epoxydiol accounts for approximately 83\% of
   total isoprene SOA or more than 45\% of total SOA. A domain wide
   reduction of NO emissions by 40\% leads to a slight decrease of domain
   average SOA by 3.6\% and isoprene SOA by approximately 2.6\%. Although
   most of the isoprene SOA component concentrations are decreased, SOA
   from isoprene epoxydiol is increased by similar to 16\%.}},
Publisher = {{AMER CHEMICAL SOC}},
Address = {{1155 16TH ST, NW, WASHINGTON, DC 20036 USA}},
Type = {{Article}},
Language = {{English}},
Affiliation = {{Ying, Q (Corresponding Author), Texas A\&M Univ, Zachry Dept Civil Engn, College Stn, TX 77843 USA.
   Ying, Qi; Li, Jingyi; Kota, Sri Harsha, Texas A\&M Univ, Zachry Dept Civil Engn, College Stn, TX 77843 USA.}},
DOI = {{10.1021/acs.est.5b02514}},
ISSN = {{0013-936X}},
EISSN = {{1520-5851}},
Keywords-Plus = {{HETEROGENEOUS REACTIONS; SOA FORMATION; MEXICO-CITY; PHOTOOXIDATION;
   MODEL; EPOXIDES; SULFATE; GLYOXAL; PM2.5; ACID}},
Research-Areas = {{Engineering; Environmental Sciences \& Ecology}},
Web-of-Science-Categories  = {{Engineering, Environmental; Environmental Sciences}},
Author-Email = {{qying@civil.tamu.edu}},
ORCID-Numbers = {{Kota, Sri/0000-0002-1977-2954
   Ying, Qi/0000-0002-4560-433X}},
Funding-Acknowledgement = {{State of Texas as part of the program of the Texas Air Research Center
   {[}079ATM0099A, 078ATM2080A, 312ATM0126A]}},
Funding-Text = {{This project has been partially supported with funds from the State of
   Texas as part of the program of the Texas Air Research Center (Project
   Number 079ATM0099A, 078ATM2080A and 312ATM0126A). We acknowledge the
   Texas A\&M Super-computing Facility (http://sc.tamu.edu) and the Texas
   Advanced Computing Center (TACC) at The University of Texas at Austin
   (http://www.tacc.utexas.edu) for providing computing resources useful in
   conducting the research reported in this paper.}},
Number-of-Cited-References = {{55}},
Times-Cited = {{64}},
Usage-Count-Last-180-days = {{3}},
Usage-Count-Since-2013 = {{92}},
Journal-ISO = {{Environ. Sci. Technol.}},
Doc-Delivery-Number = {{CM6ZN}},
Unique-ID = {{WOS:000357840300042}},
DA = {{2021-12-02}},
}
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