Modelling the formation and composition of secondary organic aerosol from α- and β-pinene ozonolysis using MCM v3

Atmospheric Chemistry and Physics

Volumn 4, Issue 7, 2004, Pages 1741-1757

  Jenkin, M E ^a  

^a IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 7244242373     PISSN: 16807316     EISSN: None     Source Type: Journal    
DOI: 10.5194/acp-4-1741-2004     Document Type: Article

References (70)

1. 3 with α-pinene and 1,2-dimethyl-1-cyclohexene, J. Geophys. Res., 103, 25 541-25 551, 1998a.
2. 3 with the monoterpene reaction products pinonaldehyde, caronaldehyde and sabinaketone, J. Atmos. Chem., 31, 281-297, 1998b.
3. Andreae, M. O. and Crutzen, P. J.: Atmospheric aerosols: biogeochemical sources and role in atmospheric chemistry, Science, 276, 1052-1058, 1997.
4. Aschmann, S. M., Reissel, A., Atkinson, R., and Arey, J.: Products of the gas phase reaction of the OH radical with α- and β-pinene in the presence of NO, J. Geophys. Res., 103, 25 553-25 561, 1998.
5. 3 with a series of terpenes, J. Geophys. Res., 97, 6065-6073, 1992.
6. Atkinson, R. and Arey, J.: Gas-phase tropospheric chemistry of biogenic volatile organic compounds: a review, Atmos. Env., 37, Supplement No. 2, S197-S219, 2003.
7. Baum, E. J.: Chemical property estimation: theory and application, CRC Press, Florida, ISBN 0-87371-938-7, 1998.
8. Baxley, J. S. and Wells, J. R.: The hydroxyl radical reaction rate constant and atmospheric transformation products of 2-butanol and 2-pentanol, Int. J. Chem. Kin., 30, 745-752, 1998.
9. Bilde, M. and Pandis, S. N.: Evaporation rates and vapor pressures of individual aerosol species formed in the atmospheric oxidation of α - and β-pinene, Env. Sc. Tec., 35, 3344-3349, 2001.
10. BIOVOC: Final report on the EU project on Degradation Mechanisms of Biogenic VOC "BIOVOC", Contract reference: ENVCT95-0059: Co-ordinator J. Hjorth, JRC Ispra, 1998.
11. 3, and the influence of water vapour: particle size distribution studies, Atmos. Chem. Phys., 2, 183-196, 2002, SRef-ID: 1680-7324/acp/2002-2-183.
12. Bonn, B., Schuster, G., and Moortgat, G. K.: Influence of water vapour on the process of new particle formation during monoterpene ozonolysis, J. Phys. Chem. A., 106, 2869-2881, 2002.
13. Calogirou, A., Larsen, B. R., and Kotzias, D.: Gas-phase terpene oxidation products: a review, Atmos. Env., 33, 1423-1439, 1999.
14. Calvert, J. G., Atkinson, R., Kerr, J. A., Madronich, S., Moortgat, G. K., Wallington, T. J., and Yarwood, G.: The mechanisms of atmospheric oxidation of alkenes, Oxford University Press, New York, ISBN 0-19-513177-0, 2000.
15. Chew, A. A. and Atkinson, R.: OH radical formation yields from the gas-phase reactions of ozone with alkenes and monoterpenes, J. Geophys. Res., 101, 28 649-28 653, 1996.
16. Christoffersen, T. S., Hjorth, J., Horie, O., Jensen, N. R., Kotzias, D., Molander, L. L., Neeb, P., Ruppert, L., Winterhalter, R., Virkkula, A. Wirtz, K., and Larsen B. R.: Cis -pinic acid, a possible precursor for organic aerosol formation from ozonolysis of α -pinene, Atmos. Env., 32, 1657-1661, 1998.
17. Cocker, D. R., Clegg, S. L., Flagan, R. C., and Seinfeld, J. H.: The effect of water on gas-particle partitioning of secondary organic aerosol, Part I: α-pinene/ozone system, Atmos. Env., 35, 6049-6072, 2001.
18. 3, Aeros. Sc. Tecnol., 37, 877-891, 2003.
19. Fuentes, J. D., Lerdau, M., Atkinson, R., Baldocchi, D., Bottenheim, J. W., Ciccioli, P., Lamb, B., Geron, C., Gu, L., Guenther, A., Sharkey, T. D., and Stockwell, W.: Biogenic hydrocarbons in the atmospheric boundary layer: a review, Bulletin of the American Meteorological Society, 81, 1537-1575, 2000.
20. Geron, C., Rassmussen, R., Arnts, R. R., and Guenther, A.: A review and synthesis of monoterpene speciation from forests in the United States, Atmos. Env., 34, 1761-1781, 2000.
21. Glasius, M., Calogirou, A., Jensen, N. R., Hjorth, J., and Nielsen, C. J.: Kinetic study of the gas phase reactions of pinonaldehyde and structurally related compounds, Int. J. Chem. Kin., 29, 527-533, 1997.
22. Glasius, M., Lahaniati, M., Calogirou, A., Di Bella, D., Jensen, N. R., Hjorth, J., Kotzias, D., and Larsen, B. R.: Carboxylic acids in secondary aerosols from the oxidation of cyclic monoterpenes by ozone, Env. Sc. Tec., 34, 1001-1010, 2000.
23. Griffin, R. J., Cocker, D. R., Flagan, R. C., and Seinfeld, J. H.: Organic aerosol formation from oxidation of biogenic hydrocarbons, J. Geophys. Res., 104, 3555-3567, 1999.
24. Guenther, A., Zimmerman, P., and Wildermuth, M.: Natural volatile organic compound emission rate estimates for US woodland landscapes, Atmos. Env., 28, 1197-1210, 1994.
25. 3 with a series of monoterpenes, J. Atmos. Chem., 18, 75-102, 1994.
26. 3 radicals, UV absorption cross sections and vapor pressures, Env. Sc. Tec., 31, 3166-3172, 1997.
27. 3 radical initiated oxidation from selected monoterpenes, Env. Sc. Tec., 33, 553-559, 1999.
28. Hoffmann, 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.
29. 3 reaction: Implications for new particle formation processes, J. Geophys. Res., 103, D19, 25 569-25 578, 1998.
30. Jacob, D. J. and Wofsy, S. C.: Photochemistry of biogenic emissions over the Amazon forest, J. Geophys. Res., 93, 1477-1486, 1988.
31. Jang, M. and Kamens, R. M.: Newly characterized products and composition of secondary aerosols from the reaction of α-pinene with ozone, Atmos. Env., 33, 459-474, 1999.
32. x/air in the presence of natural sunlight, J. Atmos. Chem., 45, 101-141, 2003.
33. Jenkin, M. E.: Interactive comment on Modelling the formation and composition of secondary organic aerosol from α- and β-pinene ozonolysis using MCM v3″ by M. E. Jenkin., Atmos. Chem. Phys. Discuss., 4, S1493-S1502, 2004.
34. Jenkin, M. E., Saunders, S. M., and Pilling, M. J.: The tropospheric degradation of volatile organic compounds: A protocol for mechanism development, Atmos. Env., 31, 81-104, 1997.
35. Jenkin, M. E., Shallcross, D. E., and Harvey, J. N.: Development and application of a possible mechanism for the generation of cis-pinic acid from the ozonolysis of α- and β-pinene, Atmos. Env., 34, 2837-2850, 2000.
36. Joback, K. G. and Reid, R. C.: Estimation of pure-component properties from group contributions, Chemical Engineering Communications, 57, 233-243, 1987.
37. x in the presence of natural sunlight using gas-phase kinetics and gas-particle partitioning theory, Env. Sc. Tec., 35, 1394-1405, 2001.
38. Kamens, R. M., Jang, M., Chien, C.-J., and Leach, K.: Aerosol formation from the reaction of α-pinene and ozone using a gas-phase kinetics-aerosol partitioning model, Env. Sc. Tec., 33, 1430-1438, 1999.
39. Kavouras, I. G., Mihalopolous, N., and Stephanou, E. G.: Formation of atmospheric particles from organic acids produced by forests, Nature, 395, 683-686, 1998.
40. Kavouras, I. G., Mihalopolous, N., and Stephanou, E. G.: Secondary organic aerosol formation vs primary organic aerosol emission: in situ evidence for the chemical coupling between monoterpene acidic photooxidation products and new particle formation over forests, Env. Sc. Tec., 33, 1028-1037, 1999.
41. Keywood, M. D., Kroll, J. H., Varutbangkul, V., Bahreini, R., Flagan, R. C., and Seinfeld, J. H.: Secondary organic aerosol formation from cyclohexene ozonolysis: effect of OH scaveng̀er and the role of radical chemistry, Env. Sc. Tec., 38, 3343-3350, 2004.
42. Koch, S., Winterhalter, R., Kolloff, A., Neeb, P., and Moortgat, G. K.: Organic aerosol formation processes in the photo-oxidation of VOCs. Contribution to the EUROTRAC-2 Chemical Mechanism Development (CMD) Subproject Annual Report, 1998, 189-192. Published by EUROTRAC-2 International Scientific Secretariat, GSF-Forschungszentrum fuer Umwelt und Gesundheit GmbH, Munchen, Germany, September 1999.
43. Kückelmann, U., Warscheid, B., and Hoffmann, T.: On-line characterization of organic aerosols formed from biogenic precursors using atmospheric pressure chemical ionization mass spectrometry, Analyt. Chem., 72, 1905-1912, 2000.
44. Lesclaux, R.: Combination of peroxyl radicals in the gas phase, in Peroxyl Radicals, edited by Alfassi, Z. B., John Wiley and Sons, 1997.
45. Mackay, D., Bobra, A. M., Chan, D. W., and Shiu, W. Y.: Vapor pressure correlations for low volatility environmental chemicals, Env. Sc. Tec., 16, 645-649, 1982.
46. Neeb., P., Horie., O., and Moortgat, G. K.: The ethene-ozone reaction in the gas phase, J. Phys. Chem. A., 102, 6778-6785, 1998.
47. Noziere, B., Barnes, I., and Becker, K. H.: Product study of the reactions of α-pinene and of pinonaldehyde with OH radicals, J. Geophys. Res., 104, D19, 23 645-23 656, 1999a.
48. Noziere, B., Spittler, M., Ruppert, L., Barnes, I., Becker, K. H., Pons, M., and Wirtz, K.: Kinetics of the reactions of pinonaldehyde with OH radicals and with Cl atoms, Int. J. Chem. Kin., 31, 4, 291-301, 1999b.
49. O'Dowd, C., Aalto, P., Hämeri, K., Kulmala, M., and Hoffmann, T.: Atmospheric particles from organic vapours, Nature, 416, 497-498, 2002.
50. Odum, J. R., Hoffmann, T., Bowman, F., Collins, D., Flagan, R. C., and Seinfeld, J. H.: Gas/particle partioning and secondary organic aerosol yields, Env. Sc. Tec., 30, 2580-2585, 1996.
51. Orlando, J. J., Noziere, B., Tyndall, G. S., Orzechowska, G. E., Paulson, S. E., and Rudich, Y.: Product studies of the OH- and ozone-initiated oxidation of some monoterpenes, J. Geophys. Res., 105, D9, 11 561-11 572, 2000.
52. Pankow, J. F.: An absorption model of gas/particle partitioning involved in the formation of secondary organic aerosol, Atmos. Env., 28, 189-193, 1994.
53. Paulson, S. E., Chung, M., Sen, A. D., and Orzechowska, G.: Measurement of OH radical formation from the reaction of ozone with several biogenic alkenes, J. Geophys. Res., 103, D19, 25 533-25 559, 1998.
54. Prausnitz, J. M.: Molecular Thermodynamics of Fluid Phase Equilibria, Prentice-Hall, New Jersey, 1969.
55. Rasmussen, R. A.: What do the hydrocarbons from trees contribute to air pollution?, J. Air Poll. Cont. Assoc., 22, 537-543, 1972.
56. Rickard, A. R., Johnson, D., McGill, C. D., and Marston, G.: OH yields in the gas-phase reactions of ozone with alkenes, J. Phys. Chem. A., 103, 7656-7664, 1999.
57. Saunders, S. M., Jenkin, M. E., Derwent, R. G., and Pilling, M. J.: Protocol for the development of the Master Chemical Mechanism, MCM v3 (Part A): tropospheric degradation of non-aromatic volatile organic compounds, Atmos. Chem. Phys., 3, 161-180, 2003, SRef-ID: 1680-7324/acp/2003-3-161.
58. Sheehan, B. E and Bowman, F. M.: Estimated effects of temperature on secondary organic aerosol concentrations, Env. Sc. Tec., 35, 2129-2135, 2001.
59. Stein, S. E. and Brown, R. L.: Estimation of normal boiling points from group contributions, J. Chem. Info. Comp. Sc., 34, 581-587, 1994.
60. 3 in the presence of alcohols and carboxylic acids, Env. Sc. Tec., 34, 2105-2115, 2000.
61. Trainer, M., Williams, E. J., Parrish, D. D., Burhr, M. P., Allwine, E. J., Westberg, H. H., Fehsenfeld, F. C., and Liu, S. S.: Models and observations of the impact of natural hydrocarbons on rural ozone, Nature, 705-707, 1987.
62. 3 radicals with α-pinene, Env. Sc. Tec., 31, 2130-2135, 1997.
63. Warscheid, B. and Hoffmann, T.: Structural elucidation of monoterpenes oxidation products by ion trap fragmentation using on-line atmospheric pressure chemical ionization mass spectrometry in the negative ion mode, Rapid Communications in Mass Spectrometry, 15, 2259-2272, 2001.
64. Warscheid, B. and Hoffmann, T.: Direct analysis of highly oxidized organic aerosol constituents by on-line ion trap mass spectrometry in the negative ion mode, Rapid Communications in Mass Spectrometry, 16, 496-504, 2002.
65. Went, F. W.: Blue hazes in the atmosphere, Nature, 187, 641-645, 1960.
66. Winterhalter, R., Neeb, P., Grossmann, D., Kolloff, A., Horie, O., and Moortgat, G. K.: Products and mechanism of the gas-phase reaction of ozone with β-pinene, J. Atmos. Chem., 35, 165-197, 2000.
67. Winterhalter, R., Van Dingenen, R., Larsen, B. R., Jensen, N. R., and Hjorth, J.: LC-MS analysis of aerosol particles from the oxidation of α-pinene by ozone and OH radicals, Atmos. Chem. Phys. Discuss., 3, 1-39, 2003. SRef-ID: 1680-7375/acpd/2003-3-1.
68. Yalkowski, S. H.: Estimation of entropies of fusion of organic compounds, Industrial and Engineering Chemistry Fundamentals, 18, 108-111, 1979.
69. Yu, J., Cocker, D. R., Griffin, R. J., Flagan, R. C., and Seinfeld, J. H.: Gas-phase ozone oxidation of monoterpenes: gaseous and particulate products, J. Atmos. Chem., 34, 207-258, 1999a.
70. Yu, J., Griffin, R. J., Cocker, D. R., Flagan, R. C., and Seinfeld, J. H.: Observation of gaseous and particulate products of monoterpene oxidation in forest atmsopheres, Geophys. Res. Lett., 26, 1145-1148, 1999b.