Deconvolution and quantification of hydrocarbon-like and oxygenated organic aerosols based on aerosol mass spectrometry

Environmental Science and Technology

Volumn 39, Issue 13, 2005, Pages 4938-4952

  Zhang, Qi ^a   Rami Alfarra, M ^b,d   Worsnop, Douglas R ^c   Allan, James D ^b   Coe, Hugh ^b   Canagaratna, Manjula R ^c   Jimenez, Jose L ^a  

^a UNIVERSITY OF COLORADO   (United States)

^b UNIVERSITY OF MANCHESTER   (United Kingdom)

^c AERODYNE RESEARCH INC   (United States)

^d PAUL SCHERRER INSTITUTE   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

AEROSOLS; ALGORITHMS; DATA ACQUISITION; ITERATIVE METHODS; LUBRICATING OILS; MASS SPECTROMETERS; OXYGEN; SPECTRUM ANALYSIS; TRACE ELEMENTS;

HUMIC ACIDS; MASS SPECTRA; OXYGENATION; TRACER COMPOUNDS;

HYDROCARBONS;

ACID; FULVIC ACID; HYDROCARBON; VOLATILE ORGANIC COMPOUND;

AEROSOL; MASS SPECTROMETRY;

AEROSOL; AIR POLLUTION INDICATOR; ALGORITHM; ARTICLE; ATMOSPHERE; CONCENTRATION (PARAMETERS); DECONVOLUTION; EXHAUST GAS; HUMAN; LINEAR REGRESSION ANALYSIS; LUBRICATION; MASS SPECTROMETRY; MATHEMATICAL ANALYSIS; MULTIVARIATE ANALYSIS; OXIDATION; QUANTITATIVE ANALYSIS; RURAL AREA; URBAN AREA;

AEROSOLS; AIR POLLUTANTS; ENVIRONMENTAL MONITORING; HYDROCARBONS; MASS SPECTROMETRY; OXYGEN; VEHICLE EMISSIONS;

EID: 22044447672     PISSN: 0013936X     EISSN: None     Source Type: Journal    
DOI: 10.1021/es048568l     Document Type: Article

References (84)

1. Jacobson, M. C.; Hansson, H. C.; Noone, K. J.; Charlson, R. J. Organic atmospheric aerosols: Review and state of the science. Rev. Geophys. 2000, 38, 267-294.
2. Seinfeld, J. H.; Pankow, J. F. Organic atmospheric particulate material. Annu. Rev. Phys. Chem. 2003, 54, 121-140.
3. Andreae, M. O.; Crutzen, P. J. Atmospheric aerosols: Biogeochemical sources and role in atmospheric chemistry. Science 1997, 276, 1052-1058.
4. Cass, G. R.; Hughes, L. A.; Bhave, P.; Kleeman, M. J.; Allen, J. O.; Salmon, L. G. The chemical composition of atmospheric ultrafine particles. Philos. Trans. R. Soc. London Ser. A-Math. Phys. Eng. Sci 2000, 358, 2581-2592.
5. Rogge, W. F.; Mazurek, M. A.; Hildemann, L. M.; Cass, G. R.; Simoneit, B. R. T. Quantification of urban organic aerosols at a molecular level - Identification, abundance and seasonal variation. Atmos. Environ. A 1993, 27, 1309-1330.
6. NARSTO. Particulate Matter Science for Policy Makers: A NARSTO Assessment; EPR1 1007735; 2003.
7. Turpin, B. J.; Saxena, P.; Andrews, E. Measuring and simulating particulate organicsin the atmosphere: problems and prospects. Atmos. Environ. 2000, 34, 2983-3013.
8. IPCC. Climate Change 2001: The Scientific Basis, Contribution of Working Group I to the Third Assessment Report of the Intergovernmental Panel on Climate Change; Houghton, J. T., et al., Ed.; Cambridge University Press: New York, 2001.
9. Watson, J. G. Visibility: Science and regulation. J. Air Waste Manage. Assoc. 2002, 52, 628-713.
10. Jang, M. S.; Czoschke, N. M.; Lee, S.; Kamens, R. M. Heterogeneous atmospheric aerosol production by acid-catalyzed particle-phase reactions. Science 2002, 298, 814-817.
11. Claeys, M.; Wang, W.; Ion, A. C.; Kourtchev, I.; Gelencser, A.; Maenhaut, W. Formation of secondary organic aerosols from isoprene and its gas-phase oxidation products through reaction with hydrogen peroxide. Atmos. Environ. 2004, 38, 4093-4098.
12. Blando, J. D.; Turpin, B. J. Secondary organic aerosol formation in cloud and fog droplets: a literature evaluation of plausibility. Atmos. Environ. 2000, 34, 1623-1632.
13. Corrigan, C. E.; Novakov, T. Cloud condensation nucleus activity of organic compounds: a laboratory study. Atmos. Environ. 1999, 33, 2661-2668.
14. Mircea, M.; Facchini, M. C.; Decesari, S.; Fuzzi, S.; Charlson, R. J. The influence of the organic aerosol component on CCN supersaturation spectra for different aerosol types. Tellus Ser. B-Chem. Phys. Meteorol. 2002, 54, 74-81.
15. Kerminen, V. M.; Virkkula, A.; Hillamo, R.; Wexler, A. S.; Kulmala, M. Secondary organics and atmospheric cloud condensation nuclei production. J. Geophys. Res., [Atmos.] 2000, 105, 9255-9264.
16. Cruz, C. N.; Pandis, S. N. A study of the ability of pure secondary organic aerosol to act as cloud condensation nuclei. Atmos. Environ. 1997, 31, 2205-2214.
17. Kavouras, I. G.; Stephanou, E. G. Particle size distribution of organic primary and secondary aerosol constituents in urban, background marine, and forest atmosphere. J. Geophys. Res., [Atmos.] 2002, 107.
18. Zhang, Q.; Canagaratna, M. C.; Jayne, J. T.; Worsnop, D. R.; Jimenez, J. L. Time and size-resolved chemical composition of submicron particles in Pittsburgh - Implications for aerosol sources and processes. J. Geophys. Res. 2005, 110, doi:10.1029/2004JD004649.
19. Russell, A.; Dennis, R. NARSTO critical review of photochemical models and modeling. Atmos. Environ. 2000, 34, 2283-2324.
20. Strader, R.; Lurmann, F.; Pandis, S. N. Evaluation of secondary organic aerosol formation in winter. Atmos. Environ. 1999, 33, 4849-4863.
21. Pandis, S. N.; Harley, R. A.; Cass, G. R.; Seinfeld, J. H. Secondary organic aerosol formation and transport. Atmos. Environ. A1992, 26, 2269-2282.
22. Cass, G. R. Organic molecular tracers for particulate air pollution sources. TrAC, Trends Anal. Chem. 1998, 17, 356-366.
23. Schauer, J. J.; Rogge, W. F.; Hildemann, L. M.; Mazurek, M. A.; Cass, G. R. Source apportionment of airborne particulate matter using organic compounds as tracers. Atmos. Environ. 1996, 30, 3837-3855.
24. 2.5 in the southeastern United States using solvent-extractable organic compounds as tracers. Environ. Sci. Technol 2002, 36, 2361-2371.
25. Turpin, B. J.; Huntzicker, J. J. Secondary formation of organic aerosol in the Los Angeles basin: A descriptive analysis of organic and elemental carbon concentrations. Atmos. Environ. Part A General Topics 1991, 25, 207-215.
26. Turpin, B. J.; Huntzicker, J. J. Identification of secondary organic aerosol episodes and quantitation of primary and secondary organic aerosol concentrations during SCAQS. Atmos. Environ. 1995, 29, 3527-3544,
27. Castro, L. M.; Pio, C. A.; Harrison, R. M.; Smith, D. J. T. Carbonaceous aerosol in urban and rural European atmospheres: estimation of secondary organic carbon concentrations. Atmos. Environ. 1999, 33, 2771-2781.
28. Cabada, J. C.; Pandis, S. N.; Robinson, A. L. Sources of atmospheric carbonaceous particulate matter in Pittsburgh, Pennsylvania. J. Air Waste Manage. Assoc. 2002, 52, 732-741.
29. Cabada, J. C.; Pandis, S. N.; Subramanian, R.; Robinson, A. L.; Polidori, A.; Turpin, B. Estimating the secondary organic aerosol contribution to PM2.5 using the EC tracer method. Aerosol Sci. Technol. 2004, 38(S1), 140-155.
30. Malinowski, E. R. Factor Analysis in Chemistry, 3rd ed.; Wiley-Interscience: New York, 2002.
31. Paatero, P.; Tapper, U. Positive matrix factorization: A non-negative factor model with optimal utilization of error estimates of data values. Environmetrics 1994, 5, 111-126.
32. Henry, R. C.; Lewis, C. W.; Collins, J. F. Vehicle-related hydrocarbon source composition from ambient data: The GRACE/SAFER method. Environ. Sci. Technol. 1994, 28, 823-832.
33. Schauer, J. J.; Cass, G. R. Source apportionment of wintertime gas-phase and particle-phase air pollutants using organic compounds as tracers. Environ. Sci. Technol. 2000, 34, 1821-18 32.
34. Fine, P. M.; Chakrabarti, B.; Krudysz, M.; Schauer, J. J.; Sioutas, C. Diurnal variations of individual organic compound constituents of ultrafine and accumulation mode particulate matter in the Los Angeles Basin. Environ. Sci. Technol. 2004, 38, 1296-1304.
35. Schauer, J. J.; Fraser, M. P.; Cass, G. R.; Simoneit, B. R. T. Source reconciliation of atmospheric gas-phase and particle-phase pollutants during a severe photochemical smog episode. Environ. Sci. Technol. 2002, 36, 3806-3814.
36. Jimenez, J. L.; Jayne, J. T.; Shi, Q.; Kolb, C. E.; Worsnop, D. R.; Yourshaw, I.; Seinfeld, J. H.; Flagan, R. C.; Zhang, X.; Smith, K. A.; Morris, J. W.; Davidovits, P. Ambient aerosol sampling with an Aerosol Mass Spectrometer. J. Geophys. Res. 2003, 108, 8425, doi: 8410:1029/2001JD001213.
37. 2). J. Geophys. Res., [Atmos.] 2003, 108, 4318, doi: 4310.1029/2002JD002452.
38. Jayne, J. T.; Leard, D. C.; Zhang, X.; Davidovits, P.; Smith, K. A.; Kolb, C. E.; Worsnop, D. R. Development of an aerosol mass spectrometer for size and composition analysis of submicron particles. Aerosol. Sci. Technol 2000, 33, 49-70.
39. Allan, J. D.; Jimenez, J. L.; Williams, P. I.; Alfarra, M. R.; Bower, K. N.; Jayne, J. T.; Coe, H.; Worsnop, D. R. Quantitative sampling using an Aerodyne Aerosol Mass Spectrometer. Part 1: Techniques of data interpretation and error analysis. J. Geophys. Res., [Atmos.] 2003, 108, 4090, doi: 4010.1029/2002JD002358.
40. Allan, J. D.; Delia, A. E.; Coe, H.; Bower, K. N.; Alfarra, M. R.; Jimenez, J. L.; Middlebrook, A. M.; Drewnick, F.; Onasch, T. B.; Canagaratna, M. R.; Jayne, J. T.; Worsnop, D. R. A generalised method for the extraction of chemically resolved mass spectra from Aerodyne aerosol mass spectrometer data. J. Aerosol Sci. 2004, 35, 909-922, doi: 910.1016/j.jaerosci.2004.1002.1007.
41. Alfarra, M. R.; Coe, H.; Allan, J. D.; Bower, K. N.; Boudries, H.; Canagaratna, M. R.; Jimenez, J. L.; Jayne, J. T.; Garforth, A.; Li, S.-M.; Worsnop, D. R. Characterization of urban and regional organic aerosols in the lower Fraser Valley using two Aerodyne Aerosol Mass Spectrometers. Atmos. Environ. 2004, 5745-5758.
42. 2.5 sulfate instruments. Atmos. Environ. 2004, 37, 3335-3350.
43. Drewnick, F.; Schwab, J. J.; Jayne, J. T.; Canagaratna, M.; Worsnop, D. R.; Demerjian, K. L. Measurement of ambient aerosol composition during the PMTACS-NY 2001 using an Aerosol Mass Spectrometer. Part I: Mass concentrations. Aerosol Sci. Technol. 2004, 38, 92-103.
44. Allan, J. D.; Bower, K. N.; Coe, H.; Boudries, H.; Jayne, J. T.; Canagaratna, M. R.; Millet, D. B.; Goldstein, A. H.; Quinn, P. K.; Weber, R. J.; Worsnop, D. R. Submicron aerosol composition at Trinidad Head, California, during ITCT 2K2: Its relationship with gas-phase volatile organic carbon and assessment of instrument performance. J. Geophys. Res., [Atmos.] 2004, 109, D23S24, doi: 10.1029/2003JD004208.
45. Liu, B. Y. H.; Ziemman, P. J.; Kittelson, D. B.; McMurry, P. H. Generating particle beams of controlled dimensions and divergence: II. experimental evaluation of particle motion in aerodynamic lenses and nozzle expansions. Aerosol Sci. Technol. 1995, 22, 314-324.
46. Zhang, X.; Smith, K. A.; Worsnop, D. R.; Jimenez, J. L.; Jayne, J. T.; Kolb, C. E. A numerical characterization of particle beam collimation by an aerodynamic lens-nozzle system. Part I: An individual lens or nozzle. Aerosol Sci. Technol. 2002, 36, 617-631.
47. Zhang, X.; Smith, K. A.; Worsnop, D. R.; Jimenez, J. L.; Jayne, J. T.; Kolb, C. E.; Morris, J.; Davidovits, P. Characterization of particle beam collimation: Part II Integrated aerodynamic lens-nozzle system. Aerosol Sci. Technol. 2004, 38, 619-638.
48. Reilly, P. T. A.; Lazar, A. C.; Gieray, R. A.; Whitten, W. B.; Ramsey, J. M. The elucidation of charge-transfer-induced matrix effects in environmental aerosols via real-time aerosol mass spectral analysis of individual airborne particles. Aerosol Sci. Technol. 2000, 33, 135-152.
49. Stein, S.; Mirokhin, Y.; Tchekhovskoi, D.; Mallard, G. The NIST Mass Spectral Search Program for the NIST/EPA/NIH Mass Spectral Library (Version 2.0); The Standard Reference Data Program of NIST, 2001.
50. Alfarra, M. R. Ph.D. Dissertation, Insights into Atmospheric Organic Aerosols Using an Aerosol Mass Spectrometer, University of Manchester, 2004.
51. Zhang, Q.; Stanier, C. O.; Canagaratna, M. R.; Jayne, J. T.; Worsnop, D. R.; Pandis, S. N.; Jimenez, J. L. Insights into the chemistry of new particle formation and growth events in Pittsburgh based on Aerosol Mass Spectrometry. Environ. Sci. Technol. 2004, 38, 4797-4809.
52. Takegawa, N.; Miyazaki, Y.; Kondo, Y.; Komazaki, Y.; Miyakawa, T.; Jimenez, J. L.; Jayne, J. T.; Worsnop, D. R.; Allan, J. D.; Weber, R. J. Characterization of an Aerodyne Aerosol Mass Spectrometer (AMS): Intercomparison with other aerosol instruments. Aerosol Sci. Technol. 2005, in press.
53. Canagaratna et al. Ambient Aerosol Analysis with the Aerodyne AMS in the Houston 2000 Study. J. Geophys. Res., [Atmos.] 2005, manuscript in preparation.
54. Bahreini, R.; Jimenez, J. L.; Wang, J.; Flagan, R. C.; Seinfeld, J. H.; Jayne, J. T.; Worsnop, D. R. Aircraft-based aerosol size and composition measurements during ACE-Asia using an Aerodyne aerosol mass spectrometer. J. Geophys. Res., [Atmos.] 2003, 108, 8645, doi: 8610.1029/2002JD003226.
55. Canagaratna, M. R.; Jayne, J. T.; Ghertner, D. A.; Herndon, S.; Shi, Q.; Jimenez, J. L.; Silva, P. J.; Williams, P.; Lanni, T.; Drewnick, F.; Demerjian, K. L.; Kolb, C. E.; Worsnop, D. R. Chase studies of particulate emissions from in-use New York city vehicles. Aerosol Sci. Technol 2004, 38, 555-573, 510.1080/02786820490465504.
56. Jackson, J. E. A User's Guide to Principal Components; John Wiley & Son, Inc.: Hoboken, NJ, 2003.
57. Katrib, Y.; Martin, S. T.; Hung, H. M.; Rudich, Y.; Zhang, H.; Slowik, J.; Davidovits, P.; Jayne, J. T.; Worsnop, D. R. Products and mechanisms of ozone reactions with oleic acid for aerosol particles having core-shell morphologies. J. Phys. Chem. A2004, 108, 6686-6695.
58. Seinfeld, J. H.; Pandis, S. N. Atmospheric Chemistry and Physics: From Air Pollution to Climate Change; Wiley: New York, 1998.
59. Paatero, P.; Hopke, P. K.; Begum, B. A.; Biswas, S. K. A graphical diagnostic method for assessing the rotation in factor analytical models of atmospheric pollution. Atmos. Environ. 2005, 39, 193-201.
60. Stein, S. E.; Scott, D. R. Optimization and testing of mass-spectral library search algorithms for compound identification. J. Am. Soc. Mass Spectrom. 1994, 5, 859-866.
61. Press: W. H.; Teukolsky, S. A.; Vetterling, W. T.; Flannery, B. P. Numerical Recipes in C: The Art of Scientific Computing, 2nd ed.; Cambridge University Press: Cambridge, New York, Port Chester, Melbourne, Sydney, 1992.
62. Allan, J. D.; Alfarra, M. R.; Bower, K. N.; Williams, P. I.; Gallagher, M. W.; Jimenez, J. L.; McDonald, A. G.; Nemitz, E.; Canagaratna, M. R.; Jayne, J. T.; Coe, H.; Worsnop, D. R. Quantitative sampling using an Aerodyne Aerosol Mass Spectrometer. Part 2: Measurements of fine particulate chemical composition in two UK Cities. J. Geophys. Res., [Atmos.] 2003, 108, 4091, doi: 4010.1029/2002JD002359.
63. Dzepina et al. Characterization of ambient aerosol in Mexico City: The organic component. Atmos. Chem. Phys. 2005, manuscript in preparation.
64. Baumgardner, D.; Raga, G.; Peralta, O.; Rosas, I.; Castro, T.; Kuhlbusch, T.; John, A.; Petzold, A. Diagnosing black carbon trends in large urban areas using carbon monoxide measurements. J. Geophys. Res., [Atmos.] 2002, 107.
65. McLafferty, F. W.; Turecek, F. Interpretation of Mass Spectra; University Science Books: Mill Valley, CA, 1993.
66. Alfarra, M. R.; Paulsen, D.; Gysel, M.; Garforth, A. A.; Dommen, J.; Prevot, A. S. H.; Worsnop, D. R.; Baltensperger, U.; Coe, H. A Mass Spectrometric study of secondary organic aerosols formed from the photooxidation of anthropogenic and biogenic precursors in a reaction chamber. Environ. Sci. Technol. 2004, submitted for publication.
67. Bahreini, R.; Keywood, M.; Ng, N. L.; Varutbangkul, V.; Gao, S.; Flagan, R. C.; Seinfeld, J. H.; Worsnop, D. R.; Jimenez, J. L. Measurements of secondary organic aerosols (SOA) from oxidation of cycloalkanes, terpenes, and m-xylene using the Aerodyne Aerosol Mass Spectrometer (AMS). Environ. Sci. Technol. 2005, in press.
68. 2.5) and fogwaters from Northern California. Atmos. Environ. 2003, 37, 2247-2258.
69. 2.5) from Northern California. J. Geophys. Res. 2002, 107(D11), 4112, doi: 4110.1029/2001JD000870.
70. Milne, P. J.; Zika, R. G. Amino acid nitrogen in atmospheric aerosols - Occurrence, sources and photochemical modification. J. Atmos. Chem. 1993, 16, 361-398.
71. Cornell, S. E.; Jickells, T. D.; Thornton, C. A. Urea in rainwater and atmospheric aerosol. Atmos. Environ. 1998, 32, 1903-1910.
72. Gorzelska, K.; Talbot, R. W.; Klemm, K.; Lefer, B.; Klemm, O.; Gregory, G. L.; Anderson, B.; Barrie, L. A. Chemical composition of the atmospheric aerosol in the troposphere over the Hudson Bay lowlands and Quebec-Labrador regions of Canada. J. Geophys. Res., [Atmos.] 1994, 99, 1763-1779.
73. Donahue, N.; Robinson, A. Theoretical, in situ, and laboratory constraints on organic aerosol oxidation, AAAR 2004 Annual Conference, 2004.
74. Eliason, T. L.; Gilman, J. B.; Vaida, V. Oxidation of organic films relevant to atmospheric aerosols. Atmos. Environ. 2004, 38, 1367-1378.
75. Bertram, A. K.; Ivanov, A. V.; Hunter, M.; Molina, L. T.; Molina, M. J. The reaction probability of OH on organic surfaces of tropospheric interest. J. Phys. Chem. A 2001, 105, 9415-9421.
76. Molina, M. J.; Ivanov, A. V.; Trakhtenberg, S.; Molina, L. T. Atmospheric evolution of organic aerosol. Geophys. Res. Lett. 2004, 31, doi:10.1029/2004GL020910.
77. Jakober, C.; Destaillats, H.; Green, P.; Charles, J. Oxygenated organics compounds present in motor vehicle emissions, AAAR Annual Conference 2003.
78. Novakov, T.; Corrigan, C. E. Cloud condensation nucleus activity of the organic component of biomass smoke particles. Geophys. Res. Lett. 1996, 23, 2141-2144.
79. Andreae, M. O.; Merlet, P. Emission of trace gases and aerosols from biomass burning. Global Biogeochem. Cycle 2001, 15, 955-966.
80. Mayol-Bracero, O. L.; Guyon, P.; Graham, B.; Roberts, G.; Andreae, M. O.; Decesari, S.; Facchini, M. C.; Fuzzi, S.; Artaxo, P. Water-soluble organic compounds in biomass burning aerosols over Amazonia - 2. Apportionment of the chemical composition and importance of the polyacidic fraction - art. no. 8091. J. Geophys. Res., [Atmos.] 2002, 107, 8091.
81. Reid, J. S.; Koppmann, R.; Eck, T. F.; Eleuterio, D. P. A review of biomass burning emissions part II: intensive physical properties of biomass burning particles. Atmos. Chem. Phys. 2005, 5, 799-825.
82. Sakurai, H.; Tobias, H. J.; Park, K.; Zarling, D.; Docherty, S.; Kittelson, D. B.; McMurry, P. H.; Ziemann, P. J. On-line measurements of diesel nanoparticle composition and volatility. Atmos. Environ. 2003, 37, 1199-1210.
83. Tobias, H. J.; Beving, D. E.; Ziemann, P. J.; Sakurai, H.; Zuk, M.; McMurry, P. H.; Zarling, D.; Waytulonis, R.; Kittelson, D. B. Chemical analysis of diesel engine nanoparticles using a nano-DMA/thermal desorption particle beam mass spectrometer. Environ. Sci. Technol. 2001, 35, 2233-2243.
84. Decesari, S.; Facchini, M. C.; Malta, E.; Mircea, M.; Fuzzi, S.; Chughtai, A.R.; Smith, D.M. Water soluble organic compounds formed by oxidation of soot. Atmos. Environ. 2002, 36, 1827-1832.