Simulating the formation of semivolatile primary and secondary organic aerosol in a regional chemical transport model

Environmental Science and Technology

Volumn 43, Issue 13, 2009, Pages 4722-4728

  Murphy, Benjamin N ^a   Pandis, Spyros N ^a,b  

^a CARNEGIE MELLON UNIVERSITY   (United States)

^b UNIVERSITY OF PATRAS   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

AMBIENT MEASUREMENT; BASIS SETS; BIOGENIC HYDROCARBONS; CHEMICAL AGING; DEGREE OF OXIDATIONS; GAS PHASE OXIDATION; GROUND LEVEL CONCENTRATIONS; INTERAGENCY MONITORING OF PROTECTED VISUAL ENVIRONMENTS; ORGANIC AEROSOL; ORGANIC PARTICULATE MATTERS; PARTICULATE PHASIS; PITTSBURGH AIR QUALITY STUDIES; REGIONAL CHEMICAL TRANSPORT MODEL; RURAL LOCATIONS; SECONDARY ORGANIC AEROSOLS; SIGNIFICANT IMPACTS; SMOG CHAMBERS; VOLATILITY DISTRIBUTION;

AIR QUALITY; ATMOSPHERIC AEROSOLS; ATMOSPHERIC COMPOSITION; CHEMICAL COMPOUNDS; ENVIRONMENTAL PROTECTION AGENCY; FORECASTING; HYDROCARBONS; MONTE CARLO METHODS; ONTOLOGY; OXIDATION; SERVICE ORIENTED ARCHITECTURE (SOA);

ATMOSPHERIC MOVEMENTS;

HYDROCARBON; VOLATILE AGENT;

AEROSOL; AMBIENT AIR; ATMOSPHERIC MODELING; CONCENTRATION (COMPOSITION); PARTICULATE MATTER; PARTITIONING; PREDICTION; RURAL AREA; VOLATILE ORGANIC COMPOUND; VOLATILIZATION;

AEROSOL; AGING; AIR QUALITY; ARTICLE; ENVIRONMENTAL MONITORING; ENVIRONMENTAL TEMPERATURE; OXIDATION; PARTICULATE MATTER; PREDICTION; SMOG; UNITED STATES; VAPOR; VOLATILIZATION;

AEROSOLS; AIR POLLUTANTS; AIR POLLUTION; COMPUTER SIMULATION; ENVIRONMENTAL MONITORING; KINETICS; MODELS, CHEMICAL; MODELS, THEORETICAL; ORGANIC CHEMICALS; OXIDATION-REDUCTION; OXYGEN; TIME FACTORS; VOLATILIZATION;

NORTH AMERICA; PENNSYLVANIA; PITTSBURGH; UNITED STATES;

EID: 67649979476     PISSN: 0013936X     EISSN: 15205851     Source Type: Journal    
DOI: 10.1021/es803168a     Document Type: Article

References (40)

1. Kanakidou, M.; Seinfeld, J. H.; Pandis, S. N.; et al. Organic aerosol and global climate modeling: a review. Atmos. Chem. Phys. 2005, 5, 1053-1123. (Pubitemid 40560480)
2. Seinfeld, J. H.; Pandis S. N. Atmospheric Chemistry and Physics: From Air Pollution to Climate Change, 2nd ed.; John Wiley and Sons, Hoboken, NJ, 2006.
3. Zhang, Q.; Jimenez, J. L.; Canagaratna, M. R. Ubiquity and dominance of oxygenated species in organic aerosols in anthropogenically-influenced Northern Hemisphere midlatitudes. Geophys. Res. Lett. 2007, 34, L13801.
4. Pope, C. A.; Dockery, D. W. Health effects of fine particulate air pollution: lines that connect. J. Air Waste Manage. 2006, 56, 709-742. (Pubitemid 43954090)
5. IPCC Forth Assessment Report: Climate Change, 2007.
6. Chung, S. H.; Seinfeld, J. H. Global distribution and climate forcing of carbonaceous aerosols. J. Geophys. Res. 2002, 107, 4407.
7. Gaydos, T. M.; Pinder, R.; Koo, B.; Fahey, K. M.; Yarwood, G.; Pandis, S. N. Development and application of a three-dimensional aerosol chemical transport model, PMCAMx. Atmos. Environ. 2007, 41, 2594-2611. (Pubitemid 46435787)
8. Odum, J. R.; Hoffman, T.; Bowman, F.; Collins, D.; Flagan, R. C.; Seinfeld, J. H. Gas/particle partitioning and secondary organic aerosol yields. Environ. Sci. Technol. 1996, 30, 2580-2585. (Pubitemid 27119156)
9. Karydis, V. A.; Tsimpidi, A. P.; Pandis, S. N. Evaluation of a three-dimensional chemical transport model (PMCAMx) in the eastern United States for all four seasons. J. Geophys. Res. 2007, 112, D14211.
10. Zhang, Q.; Worsnop, D. R.; Canagaratna, M. R.; Jimenez, J. L. Hydrocarbon-like and oxygenated organic aerosols in Pittsburgh: insights into sources and processes of organic aerosols. Atmos. Chem. Phys. 2005, 5, 3289-3311. (Pubitemid 43085629)
11. Lipsky, E. M.; Robinson, A. L. Effects of dilution on fine particle mass and partitioning of semivolatile organics in diesel exhaust and wood smoke. Environ. Sci. Technol. 2006, 40, 155-162. (Pubitemid 43069898)
12. Robinson, A. L.; Donahue, N. M.; Shrivastava, M. K.; Weitkamp, E. A.; Sage, A. M.; Grieshop, A. P.; Lane, T. E.; Pierce, J. R.; Pandis, S. N. Rethinking organic aerosol: semivolatile emissions and photochemical aging. Science. 2007, 315, 1259-1262. (Pubitemid 46364260)
13. Ng, N. L.; Kroll, J. H.; Keywood, M. D.; Bahreini, R.; Varutbangkul, V.; Flagan, R. C.; Seinfeld, J. H. Contribution of first- versus second-generation products to secondary organic aerosols formed in the oxidation of biogenic hydrocarbons. Environ. Sci. Technol. 2006, 40, 2283-2297.
14. Hildebrandt, L.; Donahue, N. M.; Pandis, S. N. High formation of secondary organic aerosol from the photo-oxidation of toluene Atmos. Chem. Phys. Discuss. 2009, 9, 693-733.
15. Baltensperger, U.; Kalberer, M.; Dommen, J.; et al. Secondary organic aerosols from anthropogenic and biogenic precursors. Faraday Discuss. 2005, 130, 265-278. (Pubitemid 41223689)
16. Lane, T. E.; Donahue, N. M.; Pandis, S. N. Simulating secondary organic aerosol formation using the volatility basis-set approach in a chemical transport model. Atmos. Environ. 2008a, 42, 7439-7451.
17. Stanier, C. O.; Donahue, N. M.; Pandis, S. N. Parameterization of secondary organic aerosol mass fraction from smog chamber data. Atmos. Environ. 2008, 42, 2276-2299.
18. Donahue, N. M.; Robinson, A. L.; Stanier, C. O.; Pandis, S. N. Coupled partitioning, dilution, and chemical aging of semivolatile organics. Environ. Sci. Technol. 2006, 40, 2635-2643.
19. Shrivastava, M. K.; Lane, T. E.; Donahue, N. M.; Pandis, S. N.; Robinson, A. L. Effects of gas-particle partitioning and aging of primary emissions on urban and regional organic aerosol concentrations. J. Geophys. Res. 2008, 113, D18301.
20. Pathak, R. K.; Presto, A. A.; Lane, T. E.; Stanier, C. O.; Donahue, N. M.; Pandis, S. N. Ozonolysis of R-pinene: parameterization of secondary organic aerosol mass fraction. Atmos. Chem. Phys. 2007, 7, 3811-3821. (Pubitemid 47169647)
21. Pankow, J. F. Anabsorption model of the gas/aerosol partitioning involved in the formation of secondary organic aerosol. Atmos. Environ. 1994, 28, 189-193. (Pubitemid 24088864)
22. Strader, R.; Lurmann, F.; Pandis, S. N. Evaluation of secondary organic aerosol formation in winter. Atmos. Environ. 1999, 33, 4849-4863. (Pubitemid 29488600)
23. U.S. EPA. : 1999 National Emission Inventory Documentation and Data, Office of Air Quality Planning and Standards, NEIv3; U.S. Environmental Protection Agency Research Triangle: Park, NC, 2002; http://www.epa.gov/ttn/ chief/net/1999inventory.html.
24. MOBILE6: U.S. EPA, User's Guide to MOBILE6.1 and MOBILE6.2: Mobile Source Emission Factor Model, October 2002, Report No. EPA420-R-02-028; Office of Transportation and Air Quality: Ann Arbor, MI, 2002; http://www.epa.gov/otaq/m6. htm.
25. BEISv3.13: Schwede, D., Pouliot G., and Pierce T. Changes to the Biogenic Emissions Inventory System version 3 (BEIS3)2005: 4th Annual CMAS Models-3 Users' Conference, Friday Center, UNC-Chapel Hill, NC, September 26-28, 2005, Available at http://www.cmascenter.org/html/2005-conference/abstracts/2-7.pdf.
26. Carter, W. P. Documentation of the SAPRC-99 Chemical Mechanism for VOC Reactivity Assessment; University of California.: Riverside, CA 2000.
27. Lane, T. E.; Donahue, N. M.; Pandis, S. N. Effect of NOx on secondary organic aerosol concentrations. Environ. Sci. Technol. 2008, 42, 6022-6027.
28. Kostenidou, E.; Pathak, R.; Pandis, S. N. An algorithm for the calculation of secondary organic aerosol density combining AMS and SMPS data. Aerosol Sci. Technol. 2007, 41, 1002-1010.
29. x. Atmos. Environ. 2000, 34, 2063-2101.
30. Atkinson, R.; Arey, J. Atmospheric degradation of volatile organic compounds. Chem. Rev. 2003, 103, 4605-4638.
31. Presto, A. A.; Donahue, N. M. Investigation of α-pinene+ozone secondary organic aerosol formation at low total aerosol mass. Environ. Sci. Technol. 2006, 40, 3536-3543. (Pubitemid 43830962)
32. Wittig, A. E.; Anderson, N.; Khlystov, A. Y.; Pandis, S. N.; Davidson, C.; Robinson, A. L. Pittsburgh air quality study overview. Atmos. Environ. 2004, 38, 3107-3125. (Pubitemid 38638419)
33. U.S. EPA. User Guide: Air Quality System. Report prepared by the U.S. EPA. April 2002, http://www.epa.gov/ttn/airs/aqs/softw/AQSUserGuide-v1.pdf.
34. IMPROVE. IMPROVE Data Guide, August, 1995; University of California Davis: Davis, CA, 1995; http://vista.cira.colostate.edu/improve/Publications/ OtherDocs/IMPROVEDataGuide/IMPROVEDataGuide.htm.
35. 2.5: fractionation by polarity, FTIR spectroscopy, and OM/OC ratio for the Pittsburgh aerosol. Aerosol Sci. Technol. 2008, 42, 233-246.
36. Aiken, A. C.; DeCarlo, P. F.; Kroll, J. H.; et al. O/C and OM/OC ratios of primary, secondary, and ambient organic aerosols with high-resolution time-of-flight aerosol mass spectrometry. Environ. Sci. Technol. 2008, 42, 4478-4485. (Pubitemid 351842394)
37. Chow, J. C.; Watson, J. G.; Crow, D.; Lowenthal, D. H.; Merrifield, T. Comparison of IMPROVE and NIOSH carbon measurements. Aerosol Sci. Technol. 2001, 34, 23-34. (Pubitemid 32061809)
38. 2.5. Presented at the MANE-VU/MARAMA 2004 Science Meeting, 27-29 January, Baltimore, MD, 2004.
39. Lane, T. E.; Pinder, R. W.; Shrivastava, M. K.; Robinson, A. L.; Pandis, S. N. Source contributions to primary organic aerosol: comparison of the results of a source-resolved model and the chemical mass balance approach. Atmos. Environ. 2007, 41, 3758-3766.
40. Shrivastava, M. K.; Subramanian, R.; Rogge, W. F.; Robinson, A. L. Sources of organic aerosol: positive matrix factorization of molecular marker data and comparison of results from different source apportionment models. Atmos. Environ. 2007, 41, 9353-9369. (Pubitemid 350167530)