Secondary organic aerosol 2. Thermodynamic model for gas/particle partitioning of molecular constituents

Journal of Geophysical Research Atmospheres

Volumn 107, Issue 17, 2002, Pages AAC-4-1-AAC-4-15

  Pun, Betty K ^a   Griffin, Robert J ^b,c   Seigneur, Christian ^a   Seinfeld, John H ^d  

^a ATMOSPHERIC AND ENVIRONMENTAL RESEARCH   (United States)

^b CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

^c Duke University   (United States)

^d California Institute of Technology   (United States)

Author keywords

Biogenic aerosol; Photooxidation; Secondary organic aerosol; Urban air quality

Indexed keywords

AEROSOLS; AIR QUALITY; CARBOXYLIC ACIDS; HYDROPHOBICITY; ORGANIC COMPOUNDS; OXIDATION; THERMODYNAMICS;

AEROSOL; ATMOSPHERIC POLLUTION; ORGANIC MATTER; URBAN ATMOSPHERE;

EID: 36448979211     PISSN: 01480227     EISSN: None     Source Type: Journal    
DOI: 10.1029/2001JD000542     Document Type: Article

References (56)

1. Ansari, A. S., and S. N. Pandis, An analysis of four model predicting the partitioning of semivolatile inorganic aerosol components, Aerosol Sci. Technol., 31, 129-153, 1999.
2. Atkinson, R., Gas-phase tropospheric chemistry of organic compounds, J. Phys. Chem Ref. Data, Monogr., 2, 1994.
3. Atkinson, R., Gas-phase tropospheric chemistry of volatile organic com pounds, 1, Alkanes and alkenes, J. Phys. Chem. Ref. Data, 26, 215-290, 1997.
4. Aumont, B., S. Madronich, I. Bey, and G. S. Tyndall, Contribution of secondary VOC to the composition of aqueous atmospheric particles: A modeling approach, J. Atmos. Chem., 35, 59-75, 2000.
5. Barthelmie, R. J., and S. C. Pryor, A model mechanism to describe oxida tion of monoterpenes leading to secondary organic aerosol, J. Geophys. Res., 104, 23,657-23,669, 1999.
6. Clegg, S. L., J. H. Seinfeld, and P. Brimblecombe, Thermodynamic model ing of aqueous aerosols containing electrolytes and dissolved organic compounds, J. Aerosol Sci., 32, 713-738, 2001.
7. Cocker, D. R., III, R. C. Flagan, and J. H. Seinfeld, State-of-the-art chamber facility for studying atmospheric aerosol chemistry, Environ. Sci. Tech nol., 35, 2594-2601, 2001.
8. Cruz, C. N., and S. N. Pandis, Deliquescence and hygroscopic growth of mixed inorganic-organic atmospheric aerosols, Environ. Sci. Technol., 34, 4313-4319, 2000.
9. Fredenslund, A., J. Gmehling, and P. Rasmussen, Vapor-Liquid Equilibrium Using UNIFAC, Elsevier Sci., New York, 1977.
10. Griffin, R. J., D. R. Cocker III, R. C. Flagan, and J. H. Seinfeld, Organic aerosol formation from the oxidation of biogenic hydrocarbons, J. Geo phys. Res., 104, 3555-3567, 1999.
11. Griffin, R. J., D. Dabdub, and J. H. Seinfeld, Secondary organic aerosol, 1, Atmospheric chemical mechanism for production of molecular constitu ents, J. Geophys. Res., 107, 10.1029/2001JD000541, in press, 2002.
12. Grosjean, D., In situ organic aerosol formation during a smog episode: Estimated production and chemical functionality, Atmos Environ. Part A, 26, 953-963, 1992.
13. Harris, J. C., and M. J. Hayes, Acid dissociation constant, in Handbook of Chemical Property Estimation Methods: Environmental Behavior of Or ganic Compounds, edited by W. J. Lyman, W. F. Reehl, and D. H. Rosenblatt, McGraw-Hill, New York, 1982.
14. Hine, J., and P. K. Mookerjee, The intrinsic hydrophilic character of organic compounds: Correlations in terms of structural contributions, J. Org. Chem., 40, 292-298, 1975.
15. Hoffmann, T., J. R. Odum, F. Bowman, D. Collins, D. Klockow, R. C. Flagan, and J. H. Seinfeld, Formation of organic aerosols from the oxida tion of biogenic hydrocarbons, J. Atmos. Chem., 26, 189-222, 1997.
16. Jacobson, M. Z., Development and application of a new air pollution mod eling system, 3, Aerosol-phase simulations, Atmos. Environ., 31, 587 -608, 1997.
17. Kamens, R., M. Jang, C.-J. Chien, and K. Leach, Aerosol formation from the reaction of α-pinene and ozone using a gas phase kinetics-aerosol partitioning module, Environ. Sci. Technol., 33, 1430-1438, 1999.
18. Kicic, I., M. Femeglia, and P. Rasmussen, UNIFAC prediction of vapor -liquid equilibria in mixed solvent-salt systems, Chem. Eng. Sci., 47, 2775-2780, 1991.
19. Kim, Y. P., J. H. Seinfeld, and P. Saxena, Atmospheric gas-aerosol equili brium, I, Thermodynamic model, Aerosol Sci. Technol., 19, 157-181, 1993.
20. Liang, C. K., J. F. Pankow, J. R. Odum, and J. H. Seinfeld, Gas/particle partitioning of semi-volatile organic compounds to model inorganic, or ganic, and ambient smog aerosols, Environ. Sci. Technol., 31, 3086 -3092, 1997.
21. Lide, D. R., (Ed.), CRC Handbook of Physics and Chemistry, 77th ed., CRC, Boca Raton, Fla., 1997.
22. Lurmann, F. W., A. S. Wexler, S. N. Pandis, S. Musarra, N. Kumar, and J. H. Seinfeld, Modeling urban and regional aerosols, II, Application to California's South Coast Air Basin, Atmos. Environ., 31, 2695-2715, 1997.
23. Macedo, E. A., P. Skovborg, and P. Rasmussen, UNIFAC prediction of vapor-liquid equilibria in mixed solvent-salt systems, Chem. Eng. Sci., 46, 2775-2780, 1990.
24. Meng, Z., J. H. Seinfeld, P. Saxena, and Y. P. Kim, Atmospheric gas-aerosol equilibrium, 4, Thermodynamics of carbonates, Aerosol Sci. Technol., 23, 131-154, 1995.
25. Meng, Z., D. Dabdub, and J. H. Seinfeld, Size-resolved and chemically resolved model of atmospheric aerosol dynamics, J. Geophys. Res., 103, 3419-3435, 1998.
26. Murphy, D. M., D. S. Thomson, and T. M. J. Mahoney, In situ measure ments of organics, meteoritic material, mercury, and other elements in aerosols at 5 to 19 kilometers, Science, 282, 1664-1669, 1998.
27. Myrdal, P. B., and S. H. Yalkowsky, Estimating pure component vapor pressures of complex organic molecules, Ind. Eng. Chem. Res., 36, 2494-2499, 1997.
28. Nenes, A., S. N. Pandis, and C. Pilinis, ISORROPIA: A new thermody namic equilibrium model for multiphase multicomponent inorganic aero sols, Aquat. Geochem., 4, 123-152, 1998.
29. Odum, J. R., T. Hoffmann, F. Bowman, D. Collins, R. C. Flagan, and J. H. Seinfeld, Gas/particle partitioning and secondary organic aerosol yields, Environ. Sci. Technol., 30, 2580-2585, 1996.
30. Odum, J. R., T. P. W. Jungkamp, R. J. Griffin, R. C. Flagan, and J. H. Seinfeld, The atmospheric aerosol-forming potential of whole gasoline vapor, Science, 276, 96-99, 1997.
31. Pai, P., K. Vijayaraghavan, and C. Seigneur, Particulate matter modeling in the Los Angeles Basin using SAQM-AERO, J. Air Waste Manage. As soc., 50, 32-42, 2000.
32. Pandis, S. N., R. H. Harley, G. R. Cass, and J. H. Seinfeld, Secondary organic aerosol formation and transport, Atmos. Environ., Part A, 26, 2269-2282, 1992.
33. Pankow, J. F., An absorption model of gas-particle partitioning of organic compounds in the atmosphere, Atmos. Environ, 28, 185-188, 1994a.
34. Pankow, J. F., An absorption model of the gas/aerosol partitioning involved in the formation of secondary organic aerosol, Atmos. Environ, 28, 189 -193, 1994b.
35. Pankow, J. F., J. M. E. Storey, and H. Yamasaki, Effects of relative humid ity on gas-particle partitioning of semi-volatile organic compounds to urban particulate matter, Environ. Sci. Technol., 27, 2220-2226, 1993.
36. 3-carene-, and cyclohexene-ozone systems, Environ. Sci. Tech nol, 35, 1164-1172, 2001.
37. Penner, J. E., Carbonaceous aerosols influencing atmospheric radiation: Black and organic carbon, in Aerosol Forcing of Climate: Report of the Dahlem Workshop on Aerosol Forcing of Climate, Berlin 1994, edited by R. J. Charlson and J. Heintzenberg, pp. 91-108, John Wiley, New York, 1995.
38. Rogge, W. F., M. A. Mazurek, L. M. Hildemann, and G. R. Cass, Quanti fication of urban organic aerosols at a molecular level: Identification, abundance, and seasonal variation, Atmos. Environ., 27, 1309-1330, 1993.
39. Saxena, P., and L. M. Hildemann, Water-soluble organics in atmospheric particles: A critical review of the literature and application of thermo dynamics to identify candidate compounds, J. Atmos. Chem., 24, 57 -109, 1996.
40. Saxena, P., and L. M. Hildemann, Water absorption by organics: Survey of laboratory evidence and evaluation of UNIFAC for estimating water activity, Environ. Sci. Technol., 31, 3318-3324, 1997.
41. Schauer, J. J., Source contributions to atmospheric organic compound con centrations: Emissions, measurements, and model predictions, Ph.D. the sis, Calif. Inst. of Technol., Pasadena, 1998.
42. Schauer, J. J., and G. R. Cass, Source contributions to airborne particles in the San Joaquin Valley during the IMS95 Study, Contract 97-6PM, draft final report, Calif. Air Res. Board, Sacramento, Calif., 1998.
43. 29 organic compounds from meat charbroiling, Environ. Sci. Technol., 33, 1566 -1577, 1999a.
44. 30 organic compounds from medium duty diesel trucks, Environ. Sci. Technol., 33, 1578-1587, 1999b.
45. Schwarzenbach, R. P., P. M. Gschwend, and D. M. Imboden, Environmen tal Organic Chemistry, John Wiley, New York, 1993.
46. 3-carene-, and cyclohexene-ozone systems, Environ. Sci. Technol., 35, 1806-1817, 2001.
47. Smith, D. F., T. E. Kleindienst, and C. D. McIver, Primary product dis tributions from the reaction of OH with m-, p-xylene, 1,2,4-and 1,3,5 -trimethylbenzene, J. Atmos. Chem., 34, 339-364, 1999.
48. Stevens, R. K., T. G. Dzubay, C. W. Lewis, and R. W. Shaw Jr., Source apportionment methods applied to the determination of the origin of ambient aerosols that affected visibility in forested areas, Atmos. Envir on., 18, 261-272, 1984.
49. Strader, R., F. Lurmann, and S. N. Pandis, Evaluation of secondary organic aerosol formation in winter, Atmos. Environ, 33, 4849-4863, 1999.
50. Sun, Q., and A. S. Wexler, Modeling urban and regional aerosols near acid neutrality: Application to the 24-25 June SCAQS episode, Atmos. En viron., 32, 3533-3545, 1998.
51. Suzuki, T., K. Ohtaguchi, and K. Koide, Application of principal compo nents analysis to calculate Henry's constant from molecular structure, Comput. Chem., 16, 41-52, 1992.
52. United States Environmental Protection Agency, Air quality criteria for particulate matter, EPA/600/P-95/001, Environ. Prot. Agency, Washing ton, D.C., 1996.
53. White, W. H., and E. S. Macias, Carbonaceous particles and regional haze in the western United States, Aerosol. Sci. Technol., 10, 106-110, 1989.
54. Yan, W, M. Toppoff, C. Rose, and J. Gmehling, Prediction of vapor-liquid equilibrium in mixed solvent electrolyte systems using the group contri bution concept, Fluid Phase Equilibria, 162, 97-113, 1999.
55. Yu, J., D. R. Cocker III, R. J. Griffin, R. C. Flagan, and J. H. Seinfeld, Gas -phase ozone oxidation of monoterpenes: Gaseous and particulate pro ducts, J. Atmos. Chem., 34, 207-258, 1999.
56. Zhang, Y., C. Seigneur, J. H. Seinfeld, M. Jacobson, S. L. Clegg, and F. S. Binkowski, A comparative review of inorganic aerosol thermodynamic modules: Similarities, differences, and their likely causes, Atmos. Envir on., 34, 117-137, 2000.