Organic particulate matter formation at varying relative humidity using surrogate secondary and primary organic compounds with activity corrections in the condensed phase obtained using a method based on the Wilson equation

Atmospheric Chemistry and Physics

Volumn 10, Issue 12, 2010, Pages 5475-5490

  Chang, E I ^a   Pankow, J F ^b  

^a BONNEVILLE POWER ADMINISTRATION   (United States)

^b PORTLAND STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AEROSOL FORMATION; CHEMICAL ANALYSIS; ORGANIC MATTER; PARTICULATE MATTER; PARTITION COEFFICIENT; RELATIVE HUMIDITY; VAPOR PRESSURE; WATER UPTAKE;

EID: 77953824155     PISSN: 16807316     EISSN: 16807324     Source Type: Journal    
DOI: 10.5194/acp-10-5475-2010     Document Type: Article

References (45)

1. Abram, D. S. and Prausnitz, J. M.: Statistical thermodynamics of liquid mixtures: a new expres-sion for the excess Gibbs energy of partly or completely miscible systems, AIChE Journal, 21, 116-128, 1975.
2. Barsanti, K. C. and Pankow, J. F.: Thermodynamics of the formation of atmospheric organic particulate matter by accretion reactions, Part 1: aldehydes and ketones, Atmos. Environ., 38, 4371-4382, 2004.
3. Barsanti, K. C. and Pankow, J. F.: Thermodynamics of the formation of atmospheric organic particulate matter by accretion reactions-2. Dialdehydes, methylglyoxal, and diketones, Atmos. Environ., 39, 6597-6607, 2005.
4. Barsanti, K. C. and Pankow, J. F.: Thermodynamics of the formation of atmospheric organic particulate matter by accretion reactions-Part 3: Carboxylic and dicarboxylic acids, Atmos. Environ., 40, 6676-6686, 2006.
5. Bates, T. S., Anderson, T. L., Baynard, T., Bond, T., Boucher, O., Carmichael, G., Clarke, A., Erlick, C., Guo, H., Horowitz, L., Howell, S., Kulkarni, S., Maring, H., McComiskey, A., Mid-dlebrook, A., Noone, K., O'Dowd, C. D., Ogren, J., Penner, J., Quinn, P. K., Ravishankara, A. R., Savoie, D. L., Schwartz, S. E., Shinozuka, Y., Tang, Y., Weber, R. J., and Wu, Y.: Aerosol direct radiative effects over the northwest Atlantic, northwest Pacific, and North Indian Oceans: estimates based on in-situ chemical and optical measurements and chemical transport modeling, At-mos. Chem. Phys., 6, 1657-1732, 2006, http://www.atmos-chem-phys.net/6/1657/2006/. (Pubitemid 44198617)
6. Bowman, F. M. and Karamalegos, A. M.: Estimated effects of composition on secondary organic aerosol mass concentrations, Environ. Sci. Technol., 36, 2701-2707, 2002.
7. Bowman, F. M. and Melton, J. A.: Effect of activity coefficient models on predictions of secondary organic aerosol partitioning, J. Aerosol Sci., 35, 1415-1438, 2004.
8. Chang, E. I. and Pankow, J. F.: Prediction of activity coefficients in liquid aerosol particles containing organic compounds, dissolved inorganic salts, and water-Part 2: Consideration of phase separation effects by an X-UNFIAC model, Atmos. Environ., 40, 6422-6436, 2006.
9. Cocker III, D. R., Cleggb, S. L., Flagana, R. C., and Seinfelda, J. H.: The effect of water on gas-particle partitioning of secondary organic aerosol, Part I: α-pinene/ozone system, Atmos. Environ., 35, 6049-6072, 2001.
10. Donahue, N. M., Robinson, A. L., Stanier, C. O., and Pandis, S. N.: Coupled partitioning, dilution, and chemical aging of semivolatile organics, Environ. Sci. Technol., 40, 2635-2643, 2006.
11. Erdakos, G. B. and Pankow, J. F.: Gas/particle partitioning of neutral and ionizing compounds to single-and multi-phase aerosol particles. 2. Phase separation in liquid particulate matter containing both polar and low-polarity organic compounds, Atmos. Environ., 38, 1005-1013, 2004.
12. Flory, P. J.: Principles of Polymer Chemistry, Cornell University Press, Ithaca, New York, 1953.
13. Fraser, M. P., Yue, Z. W., Tropp, R. J., Kohl, S. D., and Chow, J. C.: Molecular composition of organic fine particulate matter in Houston, TX, Atmos. Environ., 36, 5751-5758, 2002.
14. Fredenslund, A., Jones, R. L., and Prausnitz, J. M.: Group-contribution estimation of activity coefficients in nonideal mixtures, AIChE Journal, 21, 1086-1099, 1975.
15. Griffin, R. J., Cocker III, D. R., Flagan, R. C., and Seinfeld, J. H.: Organic aerosol formation from the oxidation of biogenic hydrocarbons, J. Geophys. Res., 104, 3555-3568, 1999.
16. Griffin, R. J., Dabdub, D., Kleeman, M. J., Fraser, M. P., Cass, G. R., and Seinfeld, J. H.: Secondary organic aerosol. 3. Urban/regional scale model of size-and composition-resolved aerosols, J. Geophys. Res., 107, AAC5.1-AAC5.14, 2002a.
17. Griffin, R. J., Dabdub, D., and Seinfeld, J. H.: Secondary organic aerosol. 1. Atmospheric chemical mechanism for production of molecular constituents, J. Geophys. Res., 107, AAC3.1-AAC3.26, 2002b.
18. Griffin, R. J., Nguyen, K., Dabdub, D., and Seinfeld, J. H.: A coupled hydrophobic-hydrophilic model for predicting secondary organic aerosol formation, J. Atmos. Chem., 44, 171-190, 2003.
19. Henze, D. K. and Seinfeld, J. H.: Global secondary organic aerosol from isoprene oxidation, Geophys. Res. Lett., 33, L09812, doi:10.1029/2006GL025976, 2007.
20. Hoffman, T., Odum, J. R., Bowman, F., Collins, D., Klockow, D., Flagan, R. C., and Seinfeld, J. H.: Formation of organic aerosols from the oxidation of biogenic hydrocarbons, J. Atmos. Chem., 26, 189-222, 1997.
21. Kalberer, M., Paulsen, D., Sax, M., Dommen, J., Prevot, A. S. H., Fisseha, R., Weingartner, E., Frankevich, V., Zenobi, R., and Bal-tensperger, U.: Identification of polymers as major components of atmospheric organic aerosols, Science, 303, 1659-1662, 2004.
22. Kanakidou, M., Tsigaridis, K., Dentener, F. J., and Crutzen, P. J.: Human-activity-enhanced formation of organic aerosols by bio-genic hydrocarbon oxidation, J. Geophys. Res., 105, 9243-9254, 2000.
23. Liang, C. and Pankow, J. F.: Gas/particle partitioning of organic compounds to environmental tobacco smoke: partition coefficient measurements by desorption and comparison to urban par-ticulate material, Environ. Sci. Technol., 30, 2800-2805, 1996.
24. Levenberg, K.: A method for the solution of certain problems in least Squares, Q. Appl. Math., 2, 164-168, 1944.
25. Mazurek, M., Masonjones, M. C., Masonjones, H. D., Salmon, L. G., Cass, G. R., Hallock, K. A., and Leach, M.: Visibility-reducing organic aerosols in the vicinity of Grand Canyon National Park: Properties observed by high resolution gas chro-matography, J. Geophys. Res., 102, 3779-3794, 1997.
26. Nolte, C. G., Schauer, J. J., Cass, G. R., and Simoneit, B. R. T.: Highly polar organic compounds present in meat smoke, Environ. Sci. Technol., 33, 3313-3316, 1999.
27. Odum, J. R., Hoffmann, T., Bowman, F., Collins, D., Flagan, R. C., and Seinfeld, J. H.: Gas/particle partitioning and secondary organic aerosol yields, Environ. Sci. Technol., 30, 2580-2585, 1996.
28. Odum, J. R., Jungkamp, T. P. W., Griffin, R. J., Forstner, H. J. L., Flagan, R. C., and Seinfeld, J. H.: Aromatics, reformulated gasoline, and atmospheric organic aerosol formation, Environ. Sci. Technol., 31, 1890-1897, 1997.
29. Pankow, J. F.: An absorption model of gas/particle partitioning of organic compounds in the atmosphere, Atmos. Environ., 28, 185-188, 1994a.
30. 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.
31. Pankow, J. F. and Asher, W. E.: SIMPOL.1: a simple group contribution method for predicting vapor pressures and enthalpies of vaporization of multifunctional organic compounds, Atmos. Chem. Phys., 8, 2773-2796, 2008, http://www.atmos-chem-phys.net/8/2773/2008/.
32. Pankow, J. F. and Chang, E. I.: Variation in the sensitivity of predicted levels of atmospheric organic particulate matter (OPM), Environ. Sci. Technol., 42, 7321-7329, 2008.
33. Pankow J. F. and Barsanti, K. C.: The carbon number-polarity grid: A means to manage the complexity of the mix of organic compounds when modeling atmospheric organic particulate matter, Atmos. Environ., 43, 2829-2835, 2009.
34. Pope, C. A.: Epidemiology of fine particulate air pollution and human health: biologic mechanisms and who's at risk, Environ. Health Perspect, 108, 713-723, 2000.
35. Pun, B. K., Zhang, Y., Vijayaraghavan, K., Wu, S., Seigneur, C., and Seinfeld, J. H.: Development and initial application of the model for aerosol dynamics, reaction, ionization, and dissolution (MADRID). Regional Haze and Global Radiation Balance: Aerosol Measurements and Models-Closure, Reconciliation and Evaluation, Proceedings of a Specialty Conference, Bend, OR, United States, 104-113, 2-5 October 2001.
36. Pun, B. K., Wu, S. Y., Seigneur, C., Seinfeld, J. H., Griffin, R. J., and Pandis S. N.: Uncertainties in modeling secondary organic aerosols: three-dimensional modeling studies in Nashville/western Tennessee, Environ. Sci. Technol., 37, 3647-3661, 2003.
37. Renon, H. and Prausnitz, J. M.: Local compositions in thermodynamic excess functions for liquid mixtures, AIChE Journal, 14, 135-144, 1968.
38. Seinfeld, J. H., Erdakos, G. B., Asher, W. E., and Pankow, J. F.: Modeling the formation of secondary organic aerosol (SOA). 2. The predicted effects of relative humidity on aerosol formation in the a-pinene-,/3-pinene-, sabinene-, A3-carene-, and cyclohexene-ozone systems, Environ. Sci. Technol., 35, 1806-1817, 2001.
39. Simoneit, B. R. T., Rogge, W. F., Lang, Q., and Jaffe, R.: Molecular characterization of smoke from campfire burning of pine wood (Pinus elliottii), Chemosphere: Global Change Sci., 2, 107-122, 2000.
40. Sheehan, P. E. and Bowman, F. M.: Estimated effects of temperature on secondary organic aerosol concentrations, Environ. Sci. Technol., 35, 2129-2135, 2001.
41. Surratt, J. D., Murphy, S. M., Kroll, J. H., Ng, N. L., Hildebrandt, L., Sorooshian, A., Szmigielski, R., Vermeylen, R., Maenhaut, W., Claeys, M., Flagan, R. C., and Seinfeld, J. H.: Chemical composition of secondary organic aerosol formed from the photooxidation of isoprene, J. Phys. Chem. A, 110, 9665-9690, 2006.
42. Tsigaridis, K. and Kanakidou, M.: Global modelling of secondary organic aerosol in the troposphere: a sensitivity analysis, Atmos. Chem. Phys., 3, 1849-1869, 2003, http://www.atmos-chem-phys.net/3/1849/2003/.
43. Tsuboka, T. and Katayama, T.: Modified Wilson equation for vapor-liquid and liquid-liquid equilibria, J. Chem. Eng. Japan, 8, 181-187, 1975.
44. Wilson, G. M.: Vapor-Liquid Equilibrium. XI. A new expression for the excess free energy of mixing, J. Am. Chem. Soc., 86, 127-130, 1964.
45. Zhao, Y., Hu, M., Slanina, S., and Zhang, Y.: Chemical compositions of fine particle organic matter emitted from Chinese cooking, Environ. Sci. Technol., 41, 99-105, 2007.