Modeling kinetic partitioning of secondary organic aerosol and size distribution dynamics: Representing effects of volatility, phase state, and particle-phase reaction

Atmospheric Chemistry and Physics

Volumn 14, Issue 10, 2014, Pages 5153-5181

  Zaveri, R A ^a   Easter, R C ^a   Shilling, J E ^a   Seinfeld, J H ^b  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^b California Institute of Technology   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AEROSOL; AEROSOL FORMATION; ATMOSPHERIC MODELING; DIFFUSION; PARTICLE SIZE; PARTITIONING; PHYSICOCHEMICAL PROPERTY; REACTION KINETICS; REACTION RATE; SIZE DISTRIBUTION; TIMESCALE;

EID: 84901443971     PISSN: 16807316     EISSN: 16807324     Source Type: Journal    
DOI: 10.5194/acp-14-5153-2014     Document Type: Article

References (66)

1. Abramson, E., Imre, D., Beránek, J., Wilson, J., and Zelenyuk, A.: Experimental determination of chemical diffusion within secondary organic aerosol particles, Phys. Chem. Chem. Phys., 15, 2983-2991, 2013.
2. Astarita, G.: Mass Transfer with Chemical Reaction. Elsevier, New York, 1967.
3. Bird, R. B., Stewart, W. E., and Lightfoot, E. N.: Transport Phenomena (revised 2nd Edn.). John Wiley & Sons, Inc., Hoboken, NJ, 2007.
4. Berkemeier, T., Huisman, A. J., Ammann, M., Shiraiwa, M., Koop, T., and Pöschl, U.: Kinetic regimes and limiting cases of gas uptake and heterogeneous reactions in atmospheric aerosols and clouds: a general classification scheme, Atmos. Chem. Phys., 13, 6663-6686, doi:10.5194/acp-13- 6663-2013, 2013.
5. Bowman, F. M., Odum, J. R., and Seinfeld, J. H.: Mathematical model for gas-particle partitioning of secondary organic aerosols, Atmos. Environ., 31, 3921-3931, 1997.
6. Carlton, A. G. and Turpin, B. J.: Particle partitioning potential of organic compounds is highest in the Eastern US and driven by anthropogenic water, Atmos. Chem. Phys., 13, 10203-10214, doi:10.5194/acp-13-10203-2013, 2013.
7. Carlton, A. G., Turpin, B. I., Altieri, K. E., Seitzinger, S. P., Mathur, R., Roselle, S. J., and Weber, R. J.: CMAQ model performance enhanced when in-cloud secondary organic aerosol is included: comparisons of organic carbon predictions with measurements, Environ. Sci. Technol., 42, 8798-8802, 2008.
8. Carslaw, H. S. and Jaeger, J. C.: Conduction of Heat in Solids, 2nd ed., Clarendon Press, Oxford, 1959.
9. Crank, J.: The Mathematics of Diffusion, 2nd ed., Oxford University Press Inc., New York, 1975.
10. Danckwerts, P. V.: Absorption and simultaneous diffusion and chemical reaction into particles of various shapes and into falling drops, Trans. Faraday Soc., 47, 1014-1023, 1951.
11. Donahue, N. M., Trump, E. R., Pierce, J. R., and Riipinen, I.: Theoretical constraints on pure vapor-pressure driven condensation of organics to ultrafine particles, Geophys. Res. Lett., 38, L16801, doi:10.1029/ 2011GL048115, 2011.
12. Doraiswamy, L. K. and Sharma, M. M.: Heterogeneous Reactions: Analysis, Examples, and Reactor Design, Vol. 2.: Fluid-Fluid-Solid Reactions. Wiley-Interscience, New York, 1984.
13. Dusek, U., Frank, G. P., Hildebrandt, L., Curtius, J., Schneider, J., Walter S., Chand, D., Drewnick, F., Hings, S., Jung, D., Borrmann, S., and Andreae, M. O.: Size matters more than chemistry for cloud-nucleating ability of aerosol particles, Science, 312, 1375-1378, 2006.
14. Ervens, B. and Volkamer, R.: Glyoxal processing by aerosol multiphase chemistry: towards a kinetic modeling framework of secondary organic aerosol formation in aqueous particles, Atmos. Chem. Phys., 10, 8219-8244, doi:10.5194/acp-10-8219-2010, 2010.
15. Ervens, B., Carlton, A. G., Turpin, B. J., Altieri, K. E., Kreidenweis, S. M., and Feingold, G.: Secondary organic aerosol yields from cloud-processing of isoprene oxidation products, Geophys. Res. Lett., 35, L02816, doi:10.1029/2007GL031828, 2008.
16. Gao, S., Ng, N. L., Keywood, M., Varutbangkul, V., Bahreini, R., Nenes, A., He, J., Yoo, K. Y., Beauchamp, J. L., Hodyss, R. P., Flagan, R. C., and Seinfeld, J. H.: Particle phase acidity and oligomer formation in secondary organic aerosol, Environ. Sci. Technol., 38, 6582-6589, 2004.
17. Gunthe, S. S., King, S. M., Rose, D., Chen, Q., Roldin, P., Farmer, D. K., Jimenez, J. L., Artaxo, P., Andreae, M. O., Martin, S. T., and Pöschl, U.: Cloud condensation nuclei in pristine tropical rainforest air of Amazonia: size-resolved measurements and modeling of atmospheric aerosol composition and CCN activity, Atmos. Chem. Phys., 9, 7551-7575, doi:10.5194/acp-9-7551-2009, 2009.
18. Gunthe, S. S., Rose, D., Su, H., Garland, R. M., Achtert, P., Nowak, A.,Wiedensohler, A., Kuwata, M., Takegawa, N., Kondo, Y., Hu, M., Shao, M., Zhu, T., Andreae, M. O., and Pöschl, U.: Cloud condensation nuclei (CCN) from fresh and aged air pollution in the megacity region of Beijing, Atmos. Chem. Phys., 11, 11023-11039, doi:10.5194/acp-11-11023-2011, 2011.
19. Hall,W. A. and Johnston, M. V.: Oligomer content of pinene secondary organic aerosol, Aerosol Sci. Technol, 45, 37-45, 2011.
20. Heaton, K. J., Dreyfus, M. A., Wang, S., and Johnston, M. V.: Oligomers in the early stage of biogenic secondary organic aerosol formation and growth, Environ. Sci. Technol., 41, 6129-6139, 2007.
21. Hoyle, C. R., Boy, M., Donahue, N. M., Fry, J. L., Glasius, M., Guenther, A., Hallar, A. G., Hartz, K. H., Petters, M. D., Petaja, T., Rosenoern, T., and Sullivan, A. P.: A review of the anthropogenic influence on biogenic secondary organic aerosol, Atmos. Chem. Phys., 11, 321-343, doi:10.5194/acp-11-321-2011, 2011.
22. Kalberer, M., Paulsen, D., Sax, M., Steinbacher, M., Dommen, J., Prevot, A. S. H., Fisseha, R., Weingartner, E., Frankevich, V., Zenobi, R., and Baltensperger, U.: Identification of polymers as major components of atmospheric organic aerosols, Science, 303, 1659-1662, 2004.
23. Kuang, C., Chen, M., Zhao, J., Smith, J., McMurry, P. H., andWang, J.: Size and time-resolved growth rate measurements of 1 to 5 nm freshly formed atmospheric nuclei, Atmos. Chem. Phys., 12, 3573-3589, doi:10.5194/acp-12-3573- 2012, 2012.
24. Kulmala, M., Vehkamäki, H., Petäjä, T., Dal Maso, M., Lauri, A., Kerminen, V. M., Birmili, W., and McMurry, P. H.: Formation and growth rates of ultrafine atmospheric particles: a review of observations, J. Aerosol Sci., 35, 143-176, 2004.
25. Kroll, J. H. and Seinfeld, J. H.: Chemistry of secondary organic aerosol: Formation and evolution of low-volatility organics in the atmosphere, Atmos. Environ., 42, 3593-3624, 2008.
26. Lewis, W. K. and Whitman, W. G.: Principles of gas absorption, Ind. Eng. Chem., 16, 1215-1220, 1924.
27. Liu, A. T., Zaveri, R. A., and Seinfeld, J. H.: Technical Note: Analytical solution for transient partitioning and reaction of a condensing vapor species in a droplet, Atmos. Environ., 89, 651-654, 2014.
28. Liu, Y., Monod, A., Tritscher, T., Praplan, A. P., DeCarlo, P. F., Temime-Roussel, B., Quivet, E., Marchand, N., Dommen, J., and Baltensperger, U.: Aqueous phase processing of secondary organic aerosol from isoprene photooxidation, Atmos. Chem. Phys., 12, 5879-5895, doi:10.5194/acp-12-5879-2012, 2012.
29. Mouchel-Vallon, C., Brauer, P., Camredon, M., Valorso, R., Madronich, S., Herrmann, H., and Aumont, B.: Explicit modeling of volatile organic compounds partitioning in the atmospheric aqueous phase, Atmos. Chem. Phys., 13, 1023-1037, doi:10.5194/acp-13-1023-2013, 2013.
30. Nozière, B., Dziedzic, P., and Córdova, A.: Formation of secondary light-absorbing "fulvic-like" oligomers: A common process in aqueous and ionic atmospheric particles?, Geophys. Res. Lett., 34, L21812, doi:10.1029/2007GL031300, 2007.
31. Paasonen, P., Nieminen, T., Asmi, E., Manninen, H. E., Petäjä, T., Plass-Dülmer, C., Flentje, H., Birmili, W., Wiedensohler, A., Hõrrak, U., Metzger, A., Hamed, A., Laaksonen, A., Facchini, M. C., Kerminen, V.-M., and Kulmala, M.: On the roles of sulphuric acid and low-volatility organic vapours in the initial steps of atmospheric new particle formation, Atmos. Chem. Phys., 10, 11223-11242, doi:10.5194/acp-10-11223-2010, 2010.
32. Pankow, J. F.: An absorption model of gas/particle partitioning of organic compounds in the atmosphere, Atmos. Environ., 28, 185-188, 1994.
33. Parikh, H. M., Carlton, A. G., Vizuete, W., and Kamens, R. M.: Modeling secondary organic aerosol using a dynamic partitioning approach incorporating particle aqueous-phase chemistry, Atmos. Environ., 45, 1126-1137, 2011.
34. Perraud, V., Bruns, E. A., Ezell, M. J., Johnson, S. N., Yu, Y., Alexander, M. L., Zelenyuk, A., Imre, D., Chang, W. L., Dabdub, D., Pankow, J. F., and Finlayson-Pitts, B. J.: Nonequilibrium atmospheric secondary organic aerosol formation and growth, Proc. Nat. Acad. Sci. USA, 109, 2836-2841, 2012.
35. Pierce, J. R., Riipinen, I., Kulmala, M., Ehn, M., Petäjä, T., Junninen, H., Worsnop, D. R., and Donahue, N. M.: Quantification of the volatility of secondary organic compounds in ultrafine particles during nucleation events, Atmos. Chem. Phys., 11, 9019-9036, doi:10.5194/acp-11-9019- 2011, 2011.
36. Pierce, J. R., Leaitch, W. R., Liggio, J., Westervelt, D. M., Wainwright, C. D., Abbatt, J. P. D., Ahlm, L., Al-Basheer, W., Cziczo, D. J., Hayden, K. L., Lee, A. K. Y., Li, S.-M., Russell, L. M., Sjostedt, S. J., Strawbridge, K. B., Travis, M., Vlasenko, A., Wentzell, J. J. B., Wiebe, H. A., Wong, J. P. S., and Macdonald, A. M.: Nucleation and condensational growth to CCN sizes during a sustained pristine biogenic SOA event in a forested mountain valley, Atmos. Chem. Phys., 12, 3147-3163, doi:10.5194/acp-12-3147-2012, 2012.
37. Pöschl, U., Rudich, Y., and Ammann, M.: Kinetic model framework for aerosol and cloud surface chemistry and gas-particle interactions-Part 1: General equations, parameters, and terminology, Atmos. Chem. Phys., 7, 5989-6023, doi:10.5194/acp-7-5989-2007, 2007.
38. Renbaum-Wolff, L., Grayson, J. W., Bateman, A. P., Kuwata, M., Sellier, M., Murray, B. J., Shilling, J. E., Martin, S. T., and Bertram, A. K.: Viscosity of pinene secondary organic material and implications for particle growth and reactivity, Proc. Nat. Acad. Sci. USA, 110, 8014-8019, doi:10.1073/pnas. 1219548110, 2013.
39. Riipinen, I., Pierce, J. R., Yli-Juuti, T., Nieminen, T., Häkkinen, S., Ehn, M., Junninen, H., Lehtipalo, K., Petäjä, T., Slowik, J., Chang, R., Shantz, N. C., Abbatt, J., Leaitch, W. R., Kerminen, V.-M., Worsnop, D. R., Pandis, S. N., Donahue, N. M., and Kulmala, M.: Organic condensation: a vital link connecting aerosol formation to cloud condensation nuclei (CCN) concentrations, Atmos. Chem. Phys., 11, 3865-3878, doi:10.5194/acp-11-3865-2011, 2011.
40. Riipinen, I., Yli-Juuti, T., Pierce, J. R., Petäjä , T., Worsnop, D. R., Kulmala, M., and Donahue, N. M.: The contribution of organics to atmospheric nanoparticle growth, Nature Geoscience, 5, 453-458, 2012.
41. Saathoff, H., Naumann, K.-H., Mohler, O., Jonsson, A. M., Hallquist, M., Kiendler-Scharr, A., Mentel, Th. F., Tillmann, R., and Schurath, U.: Temperature dependence of yields of secondary organic aerosols from the ozonolysis of a-pinene and limonene, Atmos. Chem. Phys., 9, 1551-1577, doi:10.5194/acp-9-1551- 2009, 2009.
42. Seinfeld, J. H. and Pandis, S. N.: Atmospheric Chemistry and Physics: From Air Pollution to Climate Change (2nd Edn.). John Wiley & Sons, Inc., Hoboken, NJ, 2006.
43. Schwartz, S. E. and Freiberg, J. E.: Mass-transport limitation to the rate of reaction of gases in liquid droplets: application to oxidation of SO2 in aqueous solutions. Atmos. Environ., 15, 1129-1144, 1981.
44. Shi, B. and Seinfeld, J.H: On mass-transport limitation to the rate of reaction of gases in liquid droplets. Atmos. Environ., 22, 2491-2499, 1991.
45. Shilling, J. E., Zaveri, R. A., Fast, J. D., Kleinman, L., Alexander, M. L., Canagaratna, M. R., Fortner, E., Hubbe, J. M., Jayne, J. T., Sedlacek, A., Setyan, A., Springston, S., Worsnop, D. R., and Zhang, Q.: Enhanced SOA formation from mixed anthropogenic and biogenic emissions during the CARES campaign, Atmos. Chem. Phys., 13, 2091-2113, doi:10.5194/acp-13-2091-2013, 2013.
46. Shiraiwa, M. and Seinfeld, J. H.: Equilibration timescale of atmospheric secondary organic aerosol partitioning, Geophys. Res. Lett., 39, L24801, doi:10.1029/2012GL054008, 2012b.
47. Shiraiwa, M., Pfrang, C., Koop, T., and Pöschl, U.: Kinetic multilayer model of gas-particle interactions in aerosols and clouds (KM-GAP): linking condensation, evaporation, and chemical reactions of organics, oxidants and water. Atmos. Chem. Phys., 12, 2777-2794, doi:10.5194/acp-12-2777-2012, 2012a.
48. Shiraiwa, M., Yee, L. D., Schilling, K. A., Loza, C. L., Craven, J. S., Zuend, A., Ziemann, P. J., and Seinfeld, J. H.: Size distribution dynamics reveal particle-phase chemistry in organic aerosol formation, Proc. Nat. Acad. Sci. USA, 110, 11746-11750, 2013.
49. Shiraiwa, M., Zuend, A., Bertram, A. K., and Seinfeld, J. H.: Gasparticle partitioning of atmospheric aerosols: interplay of physical state, non-ideal mixing and morphology, Phys. Chem. Chem. Phys., 15, 11441-11453, 2013b.
50. Simmel, M. and Wurzler, S.: Condensation and activation in sectional cloud microphysical models, Atmos. Res., 80, 218-236, 2006.
51. Smith, J. N., Dunn, M. J., VanReken, T. M., Iida, K., Stolzenburg, M. R., McMurry, P. H., and Huey, L. G.: Chemical composition of atmospheric nanoparticles formed from nucleation in Tecamac, Mexico: Evidence for an important role for organic species in nanoparticle growth, Geophys. Res. Lett., 35, L04808, doi:10.1029/2007GL032523, 2008.
52. Surratt, J. D., Kroll, J. H., Kleindienst, T. E., Edney, E. O., Claeys, M., Sorooshian, A., Ng, N. L., Offenberg, J. H., Lewandowski, M., Jaoui, M., Flagan, R. C., and Seinfeld, J. H.: Evidence for organosulfates in secondary organic aerosol, Environ. Sci. Technol., 41, 517-527, 2007.
53. Tolocka, M., Jang, M., Ginter, J. M., Cox, F. J., Kamens, R. M., and Johnston, M. V.: Formation of oligomers in secondary organic aerosol, Environ. Sci. Technol., 38, 1428-1434, 2004.
54. Vaden, T. D., Imre, D., Beránek, J., Shrivastava, M., and Zelenyuk, A.: Evaporation kinetics and phase of laboratory and ambient secondary organic aerosol, Proc. Nat. Acad. Sci. USA, 108, 2190-2195, 2011.
55. Virtanen, A., Joutsensaari, J., Koop, T., Kannosto, J., Yli-Pirila, P., Leskinen, J., Makela, J. M., Holopainen, J. K., Poschl, U., Kulmala, M., Worsnop, D. R., and Laaksonen, A.: An amorphous solid state of biogenic secondary organic aerosol particles, Nature, 467, 824-827, 2010.
56. Wang, L., Khalizov, A. F., Zheng, J., Xu, W., Ma, Y., Lal, V., and Zhang, R.: Atmospheric nanoparticles formed from heterogeneous reactions of organics, Nature Geoscience, 3, 238-242, 2010.
57. Weber, R. J., Sullivan, A. P., Peltier, R. E., Russell, A., Yan, B., Zheng, M., de Gouw, J., Warneke, C., Brock, C., Holloway, J. S., Atlas, E. L., and Edgerton, E.: A study of secondary organic aerosol formation in the anthropogenic-influenced southeastern United States, J. Geophys. Res. Atmos., 112, D13302, doi:10.1029/2007jd008408, 2007.
58. Winkler, P. M., Ortega, J., Karl, T., Cappellin, L., Friedli, H. R., Barsanti, K., McMurry, P. H., and Smith, J. N.: Identification of the biogenic compounds responsible for sizedependent nanoparticle growth, Geophys. Res. Lett., 39, L20815, doi:10.1029/2012GL053253, 2012.
59. You, Y., Renbaum-Wolff, L., Carreras-Sospedra, M., Hanna, S. J., Hiranuma, N., Kamal, S., Smith, M. L., Zhang, X., Weber, R. J., Shilling, J. E., Dabdub, D., Martin, S. T., and Bertram, A. K.: Images reveal that atmospheric particles can undergo liquidliquid phase separations, Proc. Nat. Acad. Sci. USA, 109, 13188-13193, 2012.
60. Zaveri, R. A.: Development and evaluation of a comprehensive tropospheric chemistry model for regional and global applications, Ph.D. thesis, Virginia Polytech. Inst. and State Univ., Blacksburg, Virginia, 1997.
61. Zaveri, R. A., Easter, R. C., Fast, J. D., and Peters, L. K.: Model for Simulating Aerosol Interactions and Chemistry (MOSAIC), J. Geophys. Res., 113, D13204, doi:10.1029/2007JD008782, 2008.
62. Zaveri, R. A., Berkowitz, C. M., Brechtel, F. J., Gilles, M. K., Hubbe, J. M., Jayne, J. T., Kleinman, L. I., Laskin, A., Madronich, S., Onasch, T. B., Pekour, M., Springston, S. R., Thornton, J. A., Tivanski, A. V., and Worsnop, D. R.: Nighttime chemical evolution of aerosol and trace gases in a power plant plume: Implications for secondary organic nitrate and organosulfate aerosol formation, NO3 radical chemistry, and N2O5 heterogeneous hydrolysis, J. Geophys. Res., 115, D12304, doi:10.1029/2009JD013250, 2010.
63. Zhang, Q., Jimenez, J. L., Canagaratna, M. R., Allan, J. D., Coe, H., Ulbrich, I., Alfarra, M. R., Takami, A., Middlebrook, A. M., Sun, Y. L., Dzepina, K., Dunlea, E., Docherty, K., De-Carlo, P. F., Salcedo, D., Onasch, T., Jayne, J. T., Miyoshi, T., Shimono, A., Hatakeyama, S., Takegawa, N., Kondo, Y., Schneider, J., Drewnick, F., Borrmann, S., Weimer, S., Demerjian, K., Williams, P., Bower, K., Bahreini, R., Cottrell, L., Griffin, R. J., Rautiainen, J., Sun, J. Y., Zhang, Y. M., and Worsnop, D. R.: Ubiquity and dominance of oxygenated species in organic aerosols in anthropogenically-influenced Northern Hemisphere mid-latitudes, Geophys. Res. Lett., 34, L13801, doi:10.1029/ 2007GL029979, 2007.
64. Zhang, X., Pandis, S. N., and Seinfeld, J. H.: Diffusion-limited versus quasi-equilibrium aerosol growth, Aerosol Science and Technology, 46, 874-885, doi:10.1080/02786826.2012.679344, 2012.
65. Ziemann, P. J. and Atkinson, R.: Kinetics, products, and mechanisms of secondary organic aerosol formation, Chem. Soc. Rev., 41, 6582-6605, 2012.
66. Zobrist, B., Soonsin, V., Luo, B. P., Krieger, U. K., Marcolli, C., Peter, T., and Koop, T.: Ultra-slow water diffusion in aqueous sucrose glasses, Phys. Chem. Chem. Phys., 13, 3514-3526, doi:10.1039/C0CP01273D, 2011.