Search Menu
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information
Search Scholarly Publications

Title: Semivolatile POA and parameterized total combustion SOA in CMAQv5.2: impacts on source strength and partitioning

Abstract

Mounting evidence from field and laboratory observations coupled with atmospheric model analyses shows that primary combustion emissions of organic compounds dynamically partition between the vapor and particulate phases, especially as near-source emissions dilute and cool to ambient conditions. The most recent version of the Community Multiscale Air Quality model version 5.2 (CMAQv5.2) accounts for the semivolatile partitioning and gas-phase aging of these primary organic aerosol (POA) compounds consistent with experimentally derived parameterizations. We also include a new surrogate species, potential secondary organic aerosol from combustion emissions (pcSOA), which provides a representation of the secondary organic aerosol (SOA) from anthropogenic combustion sources that could be missing from current chemical transport model predictions. The reasons for this missing mass likely include the following: (1) unspeciated semivolatile and intermediate volatility organic compound (SVOC and IVOC, respectively) emissions missing from current inventories, (2) multigenerational aging of organic vapor products from known SOA precursors (e.g., toluene, alkanes), (3) underestimation of SOA yields due to vapor wall losses in smog chamber experiments, and (4) reversible organic compounds–water interactions and/or aqueous-phase processing of known organic vapor emissions. CMAQ predicts the spatially averaged contribution of pcSOA to OA surface concentrations in the continental United States to be 38.6 and 23.6 % inmore » the 2011 winter and summer, respectively. Whereas many past modeling studies focused on a particular measurement campaign, season, location, or model configuration, we endeavor to evaluate the model and important uncertain parameters with a comprehensive set of United States-based model runs using multiple horizontal scales (4 and 12 km), gas-phase chemical mechanisms, and seasons and years. The model with representation of semivolatile POA improves predictions of hourly OA observations over the traditional nonvolatile model at sites during field campaigns in southern California (CalNex, May–June 2010), northern California (CARES, June 2010), the southeast US (SOAS, June 2013; SEARCH, January and July, 2011). Model improvements manifest better correlations (e.g., the correlation coefficient at Pasadena at night increases from 0.38 to 0.62) and reductions in underprediction during the photochemically active afternoon period (e.g., bias at Pasadena from -5.62 to -2.42 µg m-3). Daily averaged predictions of observations at routine-monitoring networks from simulations over the continental US (CONUS) in 2011 show modest improvement during winter, with mean biases reducing from 1.14 to 0.73 µg m-3, but less change in the summer when the decreases from POA evaporation were similar to the magnitude of added SOA mass. Because the model-performance improvement realized by including the relatively simple pcSOA approach is similar to that of more-complicated parameterizations of OA formation and aging, we recommend caution when applying these more-complicated approaches as they currently rely on numerous uncertain parameters. The pcSOA parameters optimized for performance at the southern and northern California sites lead to higher OA formation than is observed in the CONUS evaluation. This may be due to any of the following: variations in real pcSOA in different regions or time periods, too-high concentrations of other OA sources in the model that are important over the larger domain, or other model issues such as loss processes. This discrepancy is likely regionally and temporally dependent and driven by interferences from factors like varying emissions and chemical regimes.« less

Authors:
; ORCiD logo; ORCiD logo; ORCiD logo; ORCiD logo; ; ORCiD logo; ORCiD logo; ; ORCiD logo; ; ORCiD logo; ORCiD logo; ORCiD logo
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Biological and Environmental Research (BER)
OSTI Identifier:
1459761
Alternate Identifier(s):
OSTI ID: 1406733
Report Number(s):
PNNL-SA-124491
Journal ID: ISSN 1680-7324
Grant/Contract Number:  
AC06-76RLO 1830; FG02-11ER65293; AC05-76RL01830
Resource Type:
Published Article
Journal Name:
Atmospheric Chemistry and Physics (Online)
Additional Journal Information:
Journal Name: Atmospheric Chemistry and Physics (Online) Journal Volume: 17 Journal Issue: 18; Journal ID: ISSN 1680-7324
Publisher:
Copernicus Publications, EGU
Country of Publication:
Germany
Language:
English
Subject:
54 ENVIRONMENTAL SCIENCES

Citation Formats

Murphy, Benjamin N., Woody, Matthew C., Jimenez, Jose L., Carlton, Ann Marie G., Hayes, Patrick L., Liu, Shang, Ng, Nga L., Russell, Lynn M., Setyan, Ari, Xu, Lu, Young, Jeff, Zaveri, Rahul A., Zhang, Qi, and Pye, Havala O. T. Semivolatile POA and parameterized total combustion SOA in CMAQv5.2: impacts on source strength and partitioning. Germany: N. p., 2017. Web. doi:10.5194/acp-17-11107-2017.
Copy to clipboard
Murphy, Benjamin N., Woody, Matthew C., Jimenez, Jose L., Carlton, Ann Marie G., Hayes, Patrick L., Liu, Shang, Ng, Nga L., Russell, Lynn M., Setyan, Ari, Xu, Lu, Young, Jeff, Zaveri, Rahul A., Zhang, Qi, & Pye, Havala O. T. Semivolatile POA and parameterized total combustion SOA in CMAQv5.2: impacts on source strength and partitioning. Germany. https://doi.org/10.5194/acp-17-11107-2017
Copy to clipboard
Murphy, Benjamin N., Woody, Matthew C., Jimenez, Jose L., Carlton, Ann Marie G., Hayes, Patrick L., Liu, Shang, Ng, Nga L., Russell, Lynn M., Setyan, Ari, Xu, Lu, Young, Jeff, Zaveri, Rahul A., Zhang, Qi, and Pye, Havala O. T. Wed . "Semivolatile POA and parameterized total combustion SOA in CMAQv5.2: impacts on source strength and partitioning". Germany. https://doi.org/10.5194/acp-17-11107-2017.
Copy to clipboard
@article{osti_1459761,
title = {Semivolatile POA and parameterized total combustion SOA in CMAQv5.2: impacts on source strength and partitioning},
author = {Murphy, Benjamin N. and Woody, Matthew C. and Jimenez, Jose L. and Carlton, Ann Marie G. and Hayes, Patrick L. and Liu, Shang and Ng, Nga L. and Russell, Lynn M. and Setyan, Ari and Xu, Lu and Young, Jeff and Zaveri, Rahul A. and Zhang, Qi and Pye, Havala O. T.},
abstractNote = {Mounting evidence from field and laboratory observations coupled with atmospheric model analyses shows that primary combustion emissions of organic compounds dynamically partition between the vapor and particulate phases, especially as near-source emissions dilute and cool to ambient conditions. The most recent version of the Community Multiscale Air Quality model version 5.2 (CMAQv5.2) accounts for the semivolatile partitioning and gas-phase aging of these primary organic aerosol (POA) compounds consistent with experimentally derived parameterizations. We also include a new surrogate species, potential secondary organic aerosol from combustion emissions (pcSOA), which provides a representation of the secondary organic aerosol (SOA) from anthropogenic combustion sources that could be missing from current chemical transport model predictions. The reasons for this missing mass likely include the following: (1) unspeciated semivolatile and intermediate volatility organic compound (SVOC and IVOC, respectively) emissions missing from current inventories, (2) multigenerational aging of organic vapor products from known SOA precursors (e.g., toluene, alkanes), (3) underestimation of SOA yields due to vapor wall losses in smog chamber experiments, and (4) reversible organic compounds–water interactions and/or aqueous-phase processing of known organic vapor emissions. CMAQ predicts the spatially averaged contribution of pcSOA to OA surface concentrations in the continental United States to be 38.6 and 23.6 % in the 2011 winter and summer, respectively. Whereas many past modeling studies focused on a particular measurement campaign, season, location, or model configuration, we endeavor to evaluate the model and important uncertain parameters with a comprehensive set of United States-based model runs using multiple horizontal scales (4 and 12 km), gas-phase chemical mechanisms, and seasons and years. The model with representation of semivolatile POA improves predictions of hourly OA observations over the traditional nonvolatile model at sites during field campaigns in southern California (CalNex, May–June 2010), northern California (CARES, June 2010), the southeast US (SOAS, June 2013; SEARCH, January and July, 2011). Model improvements manifest better correlations (e.g., the correlation coefficient at Pasadena at night increases from 0.38 to 0.62) and reductions in underprediction during the photochemically active afternoon period (e.g., bias at Pasadena from -5.62 to -2.42 µg m-3). Daily averaged predictions of observations at routine-monitoring networks from simulations over the continental US (CONUS) in 2011 show modest improvement during winter, with mean biases reducing from 1.14 to 0.73 µg m-3, but less change in the summer when the decreases from POA evaporation were similar to the magnitude of added SOA mass. Because the model-performance improvement realized by including the relatively simple pcSOA approach is similar to that of more-complicated parameterizations of OA formation and aging, we recommend caution when applying these more-complicated approaches as they currently rely on numerous uncertain parameters. The pcSOA parameters optimized for performance at the southern and northern California sites lead to higher OA formation than is observed in the CONUS evaluation. This may be due to any of the following: variations in real pcSOA in different regions or time periods, too-high concentrations of other OA sources in the model that are important over the larger domain, or other model issues such as loss processes. This discrepancy is likely regionally and temporally dependent and driven by interferences from factors like varying emissions and chemical regimes.},
doi = {10.5194/acp-17-11107-2017},
journal = {Atmospheric Chemistry and Physics (Online)},
number = 18,
volume = 17,
place = {Germany},
year = {Wed Sep 20 00:00:00 EDT 2017},
month = {Wed Sep 20 00:00:00 EDT 2017}
}
Copy to clipboard
Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.5194/acp-17-11107-2017
Copyright Statement
Other availability
Search WorldCat Search WorldCat to find libraries that may hold this journal
Citation Metrics:
Cited by: 70 works
Citation information provided by
Web of Science
Save / Share:
Export Metadata
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Works referenced in this record:

Gas-Particle Partitioning of Primary Organic Aerosol Emissions: (2) Diesel Vehicles
journal, July 2013

  • May, Andrew A.; Presto, Albert A.; Hennigan, Christopher J.
  • Environmental Science & Technology, Vol. 47, Issue 15
  • DOI: 10.1021/es400782j

A Semiempirical Correlation between Enthalpy of Vaporization and Saturation Concentration for Organic Aerosol
journal, January 2010

  • Epstein, Scott A.; Riipinen, Ilona; Donahue, Neil M.
  • Environmental Science & Technology, Vol. 44, Issue 2
  • DOI: 10.1021/es902497z

Characterization of Vapor Wall Loss in Laboratory Chambers
journal, July 2010

  • Loza, Christine L.; Chan, Arthur W. H.; Galloway, Melissa M.
  • Environmental Science & Technology, Vol. 44, Issue 13
  • DOI: 10.1021/es100727v

Atmospheric organic particulate matter: From smoke to secondary organic aerosol
journal, January 2009

New unbiased symmetric metrics for evaluation of air quality models
journal, January 2006

  • Yu, Shaocai; Eder, Brian; Dennis, Robin
  • Atmospheric Science Letters, Vol. 7, Issue 1
  • DOI: 10.1002/asl.125

Connecting the solubility and CCN activation of complex organic aerosols: a theoretical study using solubility distributions
journal, January 2015

  • Riipinen, I.; Rastak, N.; Pandis, S. N.
  • Atmospheric Chemistry and Physics, Vol. 15, Issue 11
  • DOI: 10.5194/acp-15-6305-2015

A volatility basis set model for summertime secondary organic aerosols over the eastern United States in 2006: A VOLATILITY BASIS SET MODEL FOR SOA
journal, March 2012

  • Ahmadov, R.; McKeen, S. A.; Robinson, A. L.
  • Journal of Geophysical Research: Atmospheres, Vol. 117, Issue D6
  • DOI: 10.1029/2011JD016831

Description and evaluation of the Community Multiscale Air Quality (CMAQ) modeling system version 5.1
journal, January 2017

  • Appel, K. Wyat; Napelenok, Sergey L.; Foley, Kristen M.
  • Geoscientific Model Development, Vol. 10, Issue 4
  • DOI: 10.5194/gmd-10-1703-2017

The glyoxal budget and its contribution to organic aerosol for Los Angeles, California, during CalNex 2010: GLYOXAL BUDGET FOR LOS ANGELES
journal, October 2011

  • Washenfelder, R. A.; Young, C. J.; Brown, S. S.
  • Journal of Geophysical Research: Atmospheres, Vol. 116, Issue D21
  • DOI: 10.1029/2011JD016314

Modeling the formation and aging of secondary organic aerosols in Los Angeles during CalNex 2010
journal, January 2015

  • Hayes, P. L.; Carlton, A. G.; Baker, K. R.
  • Atmospheric Chemistry and Physics, Vol. 15, Issue 10
  • DOI: 10.5194/acp-15-5773-2015

Enhanced SOA formation from mixed anthropogenic and biogenic emissions during the CARES campaign
journal, January 2013

  • Shilling, J. E.; Zaveri, R. A.; Fast, J. D.
  • Atmospheric Chemistry and Physics, Vol. 13, Issue 4
  • DOI: 10.5194/acp-13-2091-2013

Ambient Gas-Particle Partitioning of Tracers for Biogenic Oxidation
journal, September 2016

  • Isaacman-VanWertz, Gabriel; Yee, Lindsay D.; Kreisberg, Nathan M.
  • Environmental Science & Technology, Vol. 50, Issue 18
  • DOI: 10.1021/acs.est.6b01674

Gas and aerosol carbon in California: comparison of measurements and model predictions in Pasadena and Bakersfield
journal, January 2015

  • Baker, K. R.; Carlton, A. G.; Kleindienst, T. E.
  • Atmospheric Chemistry and Physics, Vol. 15, Issue 9
  • DOI: 10.5194/acp-15-5243-2015

Influence of particle-phase state on the hygroscopic behavior of mixed organic–inorganic aerosols
journal, January 2015

Modeling global secondary organic aerosol formation and processing with the volatility basis set: Implications for anthropogenic secondary organic aerosol
journal, January 2010

  • Farina, Salvatore C.; Adams, Peter J.; Pandis, Spyros N.
  • Journal of Geophysical Research, Vol. 115, Issue D9
  • DOI: 10.1029/2009JD013046

Global-scale combustion sources of organic aerosols: sensitivity to formation and removal mechanisms
journal, January 2017

  • Tsimpidi, Alexandra P.; Karydis, Vlassis A.; Pandis, Spyros N.
  • Atmospheric Chemistry and Physics, Vol. 17, Issue 12
  • DOI: 10.5194/acp-17-7345-2017

Organic aerosol composition and sources in Pasadena, California, during the 2010 CalNex campaign: AEROSOL COMPOSITION IN PASADENA
journal, August 2013

  • Hayes, P. L.; Ortega, A. M.; Cubison, M. J.
  • Journal of Geophysical Research: Atmospheres, Vol. 118, Issue 16
  • DOI: 10.1002/jgrd.50530

Gas-particle partitioning of primary organic aerosol emissions: 3. Biomass burning: BIOMASS-BURNING PARTITIONING
journal, October 2013

  • May, Andrew A.; Levin, Ezra J. T.; Hennigan, Christopher J.
  • Journal of Geophysical Research: Atmospheres, Vol. 118, Issue 19
  • DOI: 10.1002/jgrd.50828

Constraining uncertainties in particle-wall deposition correction during SOA formation in chamber experiments
journal, January 2017

  • Nah, Theodora; McVay, Renee C.; Pierce, Jeffrey R.
  • Atmospheric Chemistry and Physics, Vol. 17, Issue 3
  • DOI: 10.5194/acp-17-2297-2017

Simulating the Degree of Oxidation in Atmospheric Organic Particles
journal, November 2011

  • Simon, Heather; Bhave, Prakash V.
  • Environmental Science & Technology, Vol. 46, Issue 1
  • DOI: 10.1021/es202361w

ORACLE (v1.0): module to simulate the organic aerosol composition and evolution in the atmosphere
journal, January 2014

  • Tsimpidi, A. P.; Karydis, V. A.; Pozzer, A.
  • Geoscientific Model Development, Vol. 7, Issue 6
  • DOI: 10.5194/gmd-7-3153-2014

Quantifying the effect of organic aerosol aging and intermediate-volatility emissions on regional-scale aerosol pollution in China
journal, June 2016

  • Zhao, Bin; Wang, Shuxiao; Donahue, Neil M.
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep28815

Sources of organic aerosol investigated using organic compounds as tracers measured during CalNex in Bakersfield: SOURCES OF ORGANIC AEROSOL
journal, October 2013

  • Zhao, Yunliang; Kreisberg, Nathan M.; Worton, David R.
  • Journal of Geophysical Research: Atmospheres, Vol. 118, Issue 19
  • DOI: 10.1002/jgrd.50825

Epoxide Pathways Improve Model Predictions of Isoprene Markers and Reveal Key Role of Acidity in Aerosol Formation
journal, September 2013

  • Pye, Havala O. T.; Pinder, Robert W.; Piletic, Ivan R.
  • Environmental Science & Technology, Vol. 47, Issue 19
  • DOI: 10.1021/es402106h

Composition and hygroscopicity of the Los Angeles Aerosol: CalNex: LOS ANGELES AEROSOL: CALNEX
journal, April 2013

  • Hersey, Scott P.; Craven, Jill S.; Metcalf, Andrew R.
  • Journal of Geophysical Research: Atmospheres, Vol. 118, Issue 7
  • DOI: 10.1002/jgrd.50307

Chemical Characterization of Water-Soluble Organic Aerosol in Contrasting Rural and Urban Environments in the Southeastern United States
journal, December 2016

  • Xu, Lu; Guo, Hongyu; Weber, Rodney J.
  • Environmental Science & Technology, Vol. 51, Issue 1
  • DOI: 10.1021/acs.est.6b05002

The influence of semi-volatile and reactive primary emissions on the abundance and properties of global organic aerosol
journal, January 2011

  • Jathar, S. H.; Farina, S. C.; Robinson, A. L.
  • Atmospheric Chemistry and Physics, Vol. 11, Issue 15
  • DOI: 10.5194/acp-11-7727-2011

Evaluating the impact of new observational constraints on P-S/IVOC emissions, multi-generation oxidation, and chamber wall losses on SOA modeling for Los Angeles, CA
journal, January 2017

  • Ma, Prettiny K.; Zhao, Yunliang; Robinson, Allen L.
  • Atmospheric Chemistry and Physics, Vol. 17, Issue 15
  • DOI: 10.5194/acp-17-9237-2017

Determining the spatial and seasonal variability in OM/OC ratios across the US using multiple regression
journal, January 2011

  • Simon, H.; Bhave, P. V.; Swall, J. L.
  • Atmospheric Chemistry and Physics, Vol. 11, Issue 6
  • DOI: 10.5194/acp-11-2933-2011

Organic Aerosols in the Earth’s Atmosphere
journal, October 2009

  • De Gouw, Joost; Jimenez, Jose L.
  • Environmental Science & Technology, Vol. 43, Issue 20
  • DOI: 10.1021/es9006004

Molecular characterization of organic aerosol using nanospray desorption/electrospray ionization mass spectrometry: CalNex 2010 field study
journal, April 2013

Simulating secondary organic aerosol from missing diesel-related intermediate-volatility organic compound emissions during the Clean Air for London (ClearfLo) campaign
journal, January 2016

  • Ots, Riinu; Young, Dominique E.; Vieno, Massimo
  • Atmospheric Chemistry and Physics, Vol. 16, Issue 10
  • DOI: 10.5194/acp-16-6453-2016

Secondary organic aerosol formation from the β-pinene+NO 3 system: effect of humidity and peroxy radical fate
journal, January 2015

Gas- and particle-phase primary emissions from in-use, on-road gasoline and diesel vehicles
journal, May 2014

A two-dimensional volatility basis set – Part 2: Diagnostics of organic-aerosol evolution
journal, January 2012

  • Donahue, N. M.; Kroll, J. H.; Pandis, S. N.
  • Atmospheric Chemistry and Physics, Vol. 12, Issue 2
  • DOI: 10.5194/acp-12-615-2012

Chemically-resolved aerosol volatility measurements from two megacity field studies
journal, January 2009

  • Huffman, J. A.; Docherty, K. S.; Aiken, A. C.
  • Atmospheric Chemistry and Physics, Vol. 9, Issue 18
  • DOI: 10.5194/acp-9-7161-2009

A simplified description of the evolution of organic aerosol composition in the atmosphere: VAN KREVELEN DIAGRAM OF ORGANIC AEROSOL
journal, April 2010

  • Heald, C. L.; Kroll, J. H.; Jimenez, J. L.
  • Geophysical Research Letters, Vol. 37, Issue 8
  • DOI: 10.1029/2010GL042737

Single-particle mass spectrometry of tropospheric aerosol particles: TROPOSPHERIC AEROSOL PARTICLES
journal, September 2006

  • Murphy, D. M.; Cziczo, D. J.; Froyd, K. D.
  • Journal of Geophysical Research: Atmospheres, Vol. 111, Issue D23
  • DOI: 10.1029/2006JD007340

Intermediate-Volatility Organic Compounds: A Large Source of Secondary Organic Aerosol
journal, November 2014

  • Zhao, Yunliang; Hennigan, Christopher J.; May, Andrew A.
  • Environmental Science & Technology, Vol. 48, Issue 23
  • DOI: 10.1021/es5035188

Unspeciated organic emissions from combustion sources and their influence on the secondary organic aerosol budget in the United States
journal, July 2014

  • Jathar, S. H.; Gordon, T. D.; Hennigan, C. J.
  • Proceedings of the National Academy of Sciences, Vol. 111, Issue 29
  • DOI: 10.1073/pnas.1323740111

The effect of dry and wet deposition of condensable vapors on secondary organic aerosols concentrations over the continental US
journal, January 2015

  • Knote, C.; Hodzic, A.; Jimenez, J. L.
  • Atmospheric Chemistry and Physics, Vol. 15, Issue 1
  • DOI: 10.5194/acp-15-1-2015

Evaluation of recently-proposed secondary organic aerosol models for a case study in Mexico City
journal, January 2009

  • Dzepina, K.; Volkamer, R. M.; Madronich, S.
  • Atmospheric Chemistry and Physics, Vol. 9, Issue 15
  • DOI: 10.5194/acp-9-5681-2009

Evaluation of a regional air-quality model with bidirectional NH 3 exchange coupled to an agroecosystem model
journal, January 2013

Photochemical Modeling of the Ozark Isoprene Volcano: MEGAN, BEIS, and Their Impacts on Air Quality Predictions
journal, May 2011

  • Carlton, Annmarie G.; Baker, Kirk R.
  • Environmental Science & Technology, Vol. 45, Issue 10
  • DOI: 10.1021/es200050x

The formation, properties and impact of secondary organic aerosol: current and emerging issues
journal, January 2009

  • Hallquist, M.; Wenger, J. C.; Baltensperger, U.
  • Atmospheric Chemistry and Physics, Vol. 9, Issue 14
  • DOI: 10.5194/acp-9-5155-2009

Simulation of semi-explicit mechanisms of SOA formation from glyoxal in aerosol in a 3-D model
journal, January 2014

  • Knote, C.; Hodzic, A.; Jimenez, J. L.
  • Atmospheric Chemistry and Physics, Vol. 14, Issue 12
  • DOI: 10.5194/acp-14-6213-2014

A two-dimensional volatility basis set – Part 3: Prognostic modeling and NO x dependence
journal, January 2016

Evaluation of surface and upper air fine scale WRF meteorological modeling of the May and June 2010 CalNex period in California
journal, December 2013

Simulating the oxygen content of ambient organic aerosol with the 2D volatility basis set
journal, January 2011

  • Murphy, B. N.; Donahue, N. M.; Fountoukis, C.
  • Atmospheric Chemistry and Physics, Vol. 11, Issue 15
  • DOI: 10.5194/acp-11-7859-2011

1.5-Dimensional volatility basis set approach for modeling organic aerosol in CAMx and CMAQ
journal, October 2014

Organic photolysis reactions in tropospheric aerosols: effect on secondary organic aerosol formation and lifetime
journal, January 2015

  • Hodzic, A.; Madronich, S.; Kasibhatla, P. S.
  • Atmospheric Chemistry and Physics, Vol. 15, Issue 16
  • DOI: 10.5194/acp-15-9253-2015

Quantification of Gas-Wall Partitioning in Teflon Environmental Chambers Using Rapid Bursts of Low-Volatility Oxidized Species Generated in Situ
journal, May 2016

  • Krechmer, Jordan E.; Pagonis, Demetrios; Ziemann, Paul J.
  • Environmental Science & Technology, Vol. 50, Issue 11
  • DOI: 10.1021/acs.est.6b00606

Formation and aging of secondary organic aerosol from toluene: changes in chemical composition, volatility, and hygroscopicity
journal, January 2015

  • Hildebrandt Ruiz, L.; Paciga, A. L.; Cerully, K. M.
  • Atmospheric Chemistry and Physics, Vol. 15, Issue 14
  • DOI: 10.5194/acp-15-8301-2015

Multi-generation gas-phase oxidation, equilibrium partitioning, and the formation and evolution of secondary organic aerosol
journal, January 2012

Elemental ratio measurements of organic compounds using aerosol mass spectrometry: characterization, improved calibration, and implications
journal, January 2015

  • Canagaratna, M. R.; Jimenez, J. L.; Kroll, J. H.
  • Atmospheric Chemistry and Physics, Vol. 15, Issue 1
  • DOI: 10.5194/acp-15-253-2015

Chemically-Resolved Volatility Measurements of Organic Aerosol from Different Sources
journal, July 2009

  • Huffman, J. A.; Docherty, K. S.; Mohr, C.
  • Environmental Science & Technology, Vol. 43, Issue 14
  • DOI: 10.1021/es803539d

Implications of low volatility SOA and gas-phase fragmentation reactions on SOA loadings and their spatial and temporal evolution in the atmosphere: LOW VOLATILITY SOA AND GAS FRAGMENTATION
journal, April 2013

  • Shrivastava, Manish; Zelenyuk, Alla; Imre, Dan
  • Journal of Geophysical Research: Atmospheres, Vol. 118, Issue 8
  • DOI: 10.1002/jgrd.50160

Laboratory investigation of photochemical oxidation of organic aerosol from wood fires 1: measurement and simulation of organic aerosol evolution
journal, January 2009

  • Grieshop, A. P.; Logue, J. M.; Donahue, N. M.
  • Atmospheric Chemistry and Physics, Vol. 9, Issue 4
  • DOI: 10.5194/acp-9-1263-2009

Why do organic aerosols exist? Understanding aerosol lifetimes using the two-dimensional volatility basis set
journal, January 2013

  • Donahue, N. M.; Chuang, W.; Epstein, S. A.
  • Environmental Chemistry, Vol. 10, Issue 3
  • DOI: 10.1071/EN13022

Modeling the Role of Alkanes, Polycyclic Aromatic Hydrocarbons, and Their Oligomers in Secondary Organic Aerosol Formation
journal, May 2012

  • Pye, Havala O. T.; Pouliot, George A.
  • Environmental Science & Technology, Vol. 46, Issue 11
  • DOI: 10.1021/es300409w

Modeling the Current and Future Roles of Particulate Organic Nitrates in the Southeastern United States
journal, November 2015

  • Pye, Havala O. T.; Luecken, Deborah J.; Xu, Lu
  • Environmental Science & Technology, Vol. 49, Issue 24
  • DOI: 10.1021/acs.est.5b03738

Coupled Partitioning, Dilution, and Chemical Aging of Semivolatile Organics
journal, April 2006

  • Donahue, N. M.; Robinson, A. L.; Stanier, C. O.
  • Environmental Science & Technology, Vol. 40, Issue 8
  • DOI: 10.1021/es052297c

Chemistry of new particle growth in mixed urban and biogenic emissions – insights from CARES
journal, January 2014

Simulating secondary organic aerosol in a regional air quality model using the statistical oxidation model – Part 2: Assessing the influence of vapor wall losses
journal, January 2016

  • Cappa, Christopher D.; Jathar, Shantanu H.; Kleeman, Michael J.
  • Atmospheric Chemistry and Physics, Vol. 16, Issue 5
  • DOI: 10.5194/acp-16-3041-2016

Evidence for NOx Control over Nighttime SOA Formation
journal, September 2012

Rethinking Organic Aerosols: Semivolatile Emissions and Photochemical Aging
journal, March 2007

Evaluation of the volatility basis-set approach for the simulation of organic aerosol formation in the Mexico City metropolitan area
journal, January 2010

  • Tsimpidi, A. P.; Karydis, V. A.; Zavala, M.
  • Atmospheric Chemistry and Physics, Vol. 10, Issue 2
  • DOI: 10.5194/acp-10-525-2010

SIMPOL.1: a simple group contribution method for predicting vapor pressures and enthalpies of vaporization of multifunctional organic compounds
journal, January 2008

Modeling the Multiday Evolution and Aging of Secondary Organic Aerosol During MILAGRO 2006
journal, April 2011

  • Dzepina, Katja; Cappa, Christopher D.; Volkamer, Rainer M.
  • Environmental Science & Technology, Vol. 45, Issue 8
  • DOI: 10.1021/es103186f

On the gas-particle partitioning of soluble organic aerosol in two urban atmospheres with contrasting emissions: 1. Bulk water-soluble organic carbon: WSOC PARTITIONING IN LA AND ATLANTA
journal, September 2012

  • Zhang, Xiaolu; Liu, Jiumeng; Parker, Eric T.
  • Journal of Geophysical Research: Atmospheres, Vol. 117, Issue D21
  • DOI: 10.1029/2012JD017908

Particle partitioning potential of organic compounds is highest in the Eastern US and driven by anthropogenic water
journal, January 2013

Formation of organic aerosol in the Paris region during the MEGAPOLI summer campaign: evaluation of the volatility-basis-set approach within the CHIMERE model
journal, January 2013

  • Zhang, Q. J.; Beekmann, M.; Drewnick, F.
  • Atmospheric Chemistry and Physics, Vol. 13, Issue 11
  • DOI: 10.5194/acp-13-5767-2013

Exploring Divergent Volatility Properties from Yield and Thermodenuder Measurements of Secondary Organic Aerosol from α-Pinene Ozonolysis
journal, May 2016

  • Saha, Provat K.; Grieshop, Andrew P.
  • Environmental Science & Technology, Vol. 50, Issue 11
  • DOI: 10.1021/acs.est.6b00303

A two-dimensional volatility basis set: 1. organic-aerosol mixing thermodynamics
journal, January 2011

  • Donahue, N. M.; Epstein, S. A.; Pandis, S. N.
  • Atmospheric Chemistry and Physics, Vol. 11, Issue 7
  • DOI: 10.5194/acp-11-3303-2011

Effects of gas particle partitioning and aging of primary emissions on urban and regional organic aerosol concentrations
journal, January 2008

  • Shrivastava, Manish K.; Lane, Timothy E.; Donahue, Neil M.
  • Journal of Geophysical Research, Vol. 113, Issue D18
  • DOI: 10.1029/2007JD009735

The AeroCom evaluation and intercomparison of organic aerosol in global models
journal, January 2014

  • Tsigaridis, K.; Daskalakis, N.; Kanakidou, M.
  • Atmospheric Chemistry and Physics, Vol. 14, Issue 19
  • DOI: 10.5194/acp-14-10845-2014

Gasoline emissions dominate over diesel in formation of secondary organic aerosol mass: GASOLINE DOMINATES SOA FORMATION
journal, March 2012

  • Bahreini, R.; Middlebrook, A. M.; de Gouw, J. A.
  • Geophysical Research Letters, Vol. 39, Issue 6
  • DOI: 10.1029/2011GL050718

Gas-Wall Partitioning of Organic Compounds in a Teflon Film Chamber and Potential Effects on Reaction Product and Aerosol Yield Measurements
journal, August 2010

A global perspective on aerosol from low-volatility organic compounds
journal, January 2010

The 2010 California Research at the Nexus of Air Quality and Climate Change (CalNex) field study: CalNex 2010 FIELD PROJECT OVERVIEW
journal, June 2013

  • Ryerson, T. B.; Andrews, A. E.; Angevine, W. M.
  • Journal of Geophysical Research: Atmospheres, Vol. 118, Issue 11
  • DOI: 10.1002/jgrd.50331

Modeling anthropogenically controlled secondary organic aerosols in a megacity: a simplified framework for global and climate models
journal, January 2011

Vapor wall deposition in Teflon chambers
journal, January 2015

  • Zhang, X.; Schwantes, R. H.; McVay, R. C.
  • Atmospheric Chemistry and Physics, Vol. 15, Issue 8
  • DOI: 10.5194/acp-15-4197-2015

Influence of vapor wall loss in laboratory chambers on yields of secondary organic aerosol
journal, April 2014

  • Zhang, X.; Cappa, C. D.; Jathar, S. H.
  • Proceedings of the National Academy of Sciences, Vol. 111, Issue 16
  • DOI: 10.1073/pnas.1404727111

Secondary organic aerosol formation from fossil fuel sources contribute majority of summertime organic mass at Bakersfield: SOA AT BAKERSFIELD
journal, December 2012

  • Liu, Shang; Ahlm, Lars; Day, Douglas A.
  • Journal of Geophysical Research: Atmospheres, Vol. 117, Issue D24
  • DOI: 10.1029/2012JD018170

Effects of anthropogenic emissions on aerosol formation from isoprene and monoterpenes in the southeastern United States
journal, December 2014

  • Xu, Lu; Guo, Hongyu; Boyd, Christopher M.
  • Proceedings of the National Academy of Sciences, Vol. 112, Issue 1
  • DOI: 10.1073/pnas.1417609112

High formation of secondary organic aerosol from the photo-oxidation of toluene
journal, January 2009

  • Hildebrandt, L.; Donahue, N. M.; Pandis, S. N.
  • Atmospheric Chemistry and Physics, Vol. 9, Issue 9
  • DOI: 10.5194/acp-9-2973-2009

Emissions of organic carbon and methane from petroleum and dairy operations in California's San Joaquin Valley
journal, January 2014

  • Gentner, D. R.; Ford, T. B.; Guha, A.
  • Atmospheric Chemistry and Physics, Vol. 14, Issue 10
  • DOI: 10.5194/acp-14-4955-2014

Model Representation of Secondary Organic Aerosol in CMAQv4.7
journal, November 2010

  • Carlton, Annmarie G.; Bhave, Prakash V.; Napelenok, Sergey L.
  • Environmental Science & Technology, Vol. 44, Issue 22
  • DOI: 10.1021/es100636q

O/C and OM/OC Ratios of Primary, Secondary, and Ambient Organic Aerosols with High-Resolution Time-of-Flight Aerosol Mass Spectrometry
journal, June 2008

  • Aiken, Allison C.; DeCarlo, Peter F.; Kroll, Jesse H.
  • Environmental Science & Technology, Vol. 42, Issue 12
  • DOI: 10.1021/es703009q

Water uptake by organic aerosol and its influence on gas/particle partitioning of secondary organic aerosol in the United States
journal, March 2016

Influence of seed aerosol surface area and oxidation rate on vapor wall deposition and SOA mass yields: a case study with α -pinene ozonolysis
journal, January 2016

  • Nah, Theodora; McVay, Renee C.; Zhang, Xuan
  • Atmospheric Chemistry and Physics, Vol. 16, Issue 14
  • DOI: 10.5194/acp-16-9361-2016

Secondary Organic Aerosol Formation from Intermediate-Volatility Organic Compounds: Cyclic, Linear, and Branched Alkanes
journal, August 2012

  • Tkacik, Daniel S.; Presto, Albert A.; Donahue, Neil M.
  • Environmental Science & Technology, Vol. 46, Issue 16
  • DOI: 10.1021/es301112c

Characterization of a real-time tracer for isoprene epoxydiols-derived secondary organic aerosol (IEPOX-SOA) from aerosol mass spectrometer measurements
journal, January 2015

  • Hu, W. W.; Campuzano-Jost, P.; Palm, B. B.
  • Atmospheric Chemistry and Physics, Vol. 15, Issue 20
  • DOI: 10.5194/acp-15-11807-2015

On the implications of aerosol liquid water and phase separation for organic aerosol mass
journal, January 2017

  • Pye, Havala O. T.; Murphy, Benjamin N.; Xu, Lu
  • Atmospheric Chemistry and Physics, Vol. 17, Issue 1
  • DOI: 10.5194/acp-17-343-2017

Emission factor ratios, SOA mass yields, and the impact of vehicular emissions on SOA formation
journal, January 2014

  • Ensberg, J. J.; Hayes, P. L.; Jimenez, J. L.
  • Atmospheric Chemistry and Physics, Vol. 14, Issue 5
  • DOI: 10.5194/acp-14-2383-2014

Effects of Dilution on Fine Particle Mass and Partitioning of Semivolatile Organics in Diesel Exhaust and Wood Smoke
journal, January 2006

  • Lipsky, Eric M.; Robinson, Allen L.
  • Environmental Science & Technology, Vol. 40, Issue 1
  • DOI: 10.1021/es050319p

Evolution of Organic Aerosols in the Atmosphere
journal, December 2009

Determination of Volatility Distributions of Primary Organic Aerosol Emissions from Internal Combustion Engines Using Thermal Desorption Gas Chromatography Mass Spectrometry
journal, October 2012

  • Presto, Albert A.; Hennigan, Christopher J.; Nguyen, Ngoc T.
  • Aerosol Science and Technology, Vol. 46, Issue 10
  • DOI: 10.1080/02786826.2012.700430

Modelling of organic aerosols over Europe (2002–2007) using a volatility basis set (VBS) framework: application of different assumptions regarding the formation of secondary organic aerosol
journal, January 2012

  • Bergström, R.; Denier van der Gon, H. A. C.; Prévôt, A. S. H.
  • Atmospheric Chemistry and Physics, Vol. 12, Issue 18
  • DOI: 10.5194/acp-12-8499-2012

Global distribution of particle phase state in atmospheric secondary organic aerosols
journal, April 2017

  • Shiraiwa, Manabu; Li, Ying; Tsimpidi, Alexandra P.
  • Nature Communications, Vol. 8, Issue 1
  • DOI: 10.1038/ncomms15002

A database and tool for boundary conditions for regional air quality modeling: description and evaluation
journal, January 2014

  • Henderson, B. H.; Akhtar, F.; Pye, H. O. T.
  • Geoscientific Model Development, Vol. 7, Issue 1
  • DOI: 10.5194/gmd-7-339-2014

Simulating the Formation of Semivolatile Primary and Secondary Organic Aerosol in a Regional Chemical Transport Model
journal, July 2009

  • Murphy, Benjamin N.; Pandis, Spyros N.
  • Environmental Science & Technology, Vol. 43, Issue 13
  • DOI: 10.1021/es803168a

Gas-particle partitioning of primary organic aerosol emissions: (1) Gasoline vehicle exhaust
journal, October 2013

Understanding sources of organic aerosol during CalNex-2010 using the CMAQ-VBS
journal, January 2016

  • Woody, Matthew C.; Baker, Kirk R.; Hayes, Patrick L.
  • Atmospheric Chemistry and Physics, Vol. 16, Issue 6
  • DOI: 10.5194/acp-16-4081-2016

Intermediate Volatility Organic Compound Emissions from On-Road Gasoline Vehicles and Small Off-Road Gasoline Engines
journal, April 2016

  • Zhao, Yunliang; Nguyen, Ngoc T.; Presto, Albert A.
  • Environmental Science & Technology, Vol. 50, Issue 8
  • DOI: 10.1021/acs.est.5b06247

Adsorptive uptake of water by semisolid secondary organic aerosols: Water uptake of SOA
journal, April 2015

  • Pajunoja, Aki; Lambe, Andrew T.; Hakala, Jani
  • Geophysical Research Letters, Vol. 42, Issue 8
  • DOI: 10.1002/2015GL063142

Functionalization and fragmentation during ambient organic aerosol aging: application of the 2-D volatility basis set to field studies
journal, January 2012

  • Murphy, B. N.; Donahue, N. M.; Fountoukis, C.
  • Atmospheric Chemistry and Physics, Vol. 12, Issue 22
  • DOI: 10.5194/acp-12-10797-2012

Chemical transport model simulations of organic aerosol in southern California: model evaluation and gasoline and diesel source contributions
journal, January 2017

  • Jathar, Shantanu H.; Woody, Matthew; Pye, Havala O. T.
  • Atmospheric Chemistry and Physics, Vol. 17, Issue 6
  • DOI: 10.5194/acp-17-4305-2017

Effects of aging on organic aerosol from open biomass burning smoke in aircraft and laboratory studies
journal, January 2011

  • Cubison, M. J.; Ortega, A. M.; Hayes, P. L.
  • Atmospheric Chemistry and Physics, Vol. 11, Issue 23
  • DOI: 10.5194/acp-11-12049-2011

Effects of chemical aging on global secondary organic aerosol using the volatility basis set approach
journal, December 2013

Overview of the 2010 Carbonaceous Aerosols and Radiative Effects Study (CARES)
journal, January 2012

  • Zaveri, R. A.; Shaw, W. J.; Cziczo, D. J.
  • Atmospheric Chemistry and Physics, Vol. 12, Issue 16
  • DOI: 10.5194/acp-12-7647-2012

Simulating secondary organic aerosol formation using the volatility basis-set approach in a chemical transport model
journal, October 2008

Evolution of brown carbon in wildfire plumes
journal, June 2015

  • Forrister, Haviland; Liu, Jiumeng; Scheuer, Eric
  • Geophysical Research Letters, Vol. 42, Issue 11
  • DOI: 10.1002/2015GL063897

SOA formation from the photooxidation of  α -pinene: systematic exploration of the simulation of chamber data
journal, January 2016

  • McVay, Renee C.; Zhang, Xuan; Aumont, Bernard
  • Atmospheric Chemistry and Physics, Vol. 16, Issue 5
  • DOI: 10.5194/acp-16-2785-2016

A new chemistry option in WRF-Chem v. 3.4 for the simulation of direct and indirect aerosol effects using VBS: evaluation against IMPACT-EUCAARI data
journal, January 2015

  • Tuccella, P.; Curci, G.; Grell, G. A.
  • Geoscientific Model Development, Vol. 8, Issue 9
  • DOI: 10.5194/gmd-8-2749-2015
    Sort by:
    [ × clear filter / sort ]

    Similar Records in DOE PAGES and OSTI.GOV collections: