α-pinene photooxidation under controlled chemical conditions-Part 1: Gas-phase composition in low-and high-NOxenvironments

Atmospheric Chemistry and Physics

Volumn 12, Issue 14, 2012, Pages 6489-6504

  Eddingsaas, N C ^a   Loza, C L ^a   Yee, L D ^b   Seinfeld, J H ^a,b   Wennberg, P O ^b,c  

^a California Institute of Technology   (United States)

^b California Institute of Technology   (United States)

^c CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATMOSPHERIC POLLUTION; CHEMICAL COMPOSITION; CONCENTRATION (COMPOSITION); NITRATE; NITROGEN OXIDES; ORGANIC COMPOUND; OZONE; PHOTOOXIDATION; REACTION KINETICS;

EID: 84864210204     PISSN: 16807316     EISSN: 16807324     Source Type: Journal    
DOI: 10.5194/acp-12-6489-2012     Document Type: Article

References (66)

1. 3 with alpha-pinene and 1,2-dimethyl-1-cyclohexene, J. Geo-phys. Res.-Atmos., 103,25541-25551, doi:10.1029/98JD00524, 1998. (Pubitemid 128700101)
2. Arey, J., Atkinson, R., and Aschmann, S. M.: Produt study of the gas-phase reactions of monoterpenes with the OH radical in the presence of NOx, J. Geophys. Res., 95, 18539-18546, doi:10.1029/JD095iD11p18539, 1990.
3. Aschmann, S. M., Atkinson, R., and Arey, J.: Products of reaction of OH radicals with alpha-pinene, J. Geophys. Res.-Atmos., 107, D14, doi:10.1029/2001JD001098, 2002. (Pubitemid 43197316)
4. Atkinson, R.: Kinetics and mechanisms of the gas-phase reactions of the hydroxyl radical with organic compounds under atmospheric conditions, Chem. Rev., 86, 69-201, 1986.
5. Atkinson, R., Baulch, D. L., Cox, R. A., Crowley, J. N., Hamp-son, R. F., Hynes, R. G., Jenkin, M. E., Rossi, M. J., Troe, J., and IUPAC Subcommittee: Evaluated kinetic and photochemical data for atmospheric chemistry: Volume II-gas phase reactions of organic species, Atmos. Chem. Phys., 6, 3625-4055, doi:10.5194/acp-6-3625-2006, 2006. (Pubitemid 44369557)
6. 3)3COOH (tert-butyl hydroperoxide): OH reaction rate coefficients between 206 and 375 K and the OH photolysis quantum yield at 248 nm, Phys. Chem. Chem. Phys., 12, 12101-12111, doi:10.1039/ C0CP00463D, 2010.
7. Berndt, T., Boge, O., and Stratmann, F.: Gas-phase ozonolysis of alpha-pinene: gaseous products and particle formation, Atmos. Environ., 37, 3933-3945, 2003. (Pubitemid 36945321)
8. Birdsall, A. W., Andreoni, J. F., and Elrod, M. J.: Investigation of the role of bicyclic peroxy radicals in the oxidation mechanism of toluene, J. Phys. Chem. A, 114, 10655-10663, 2010.
9. Blin-Simiand, N., Jorand, F., Sahetchian, K., Brun, M., Ker-hoas, L., Malosse, C, and Einhorn, J.: Hydroperoxides with zero, one, two or more carbonyl groups formed during the oxidation of n-dodecane, Combust. Flame, 126, 1524-1532, doi:10.1016/s0010-2180(01)00264-4, 2001.
10. Capouet, M. and Muller, J.-F.: A group contribution method for estimating the vapour pressures of α-pinene oxidation products, Atmos. Chem. Phys., 6,1455-1467, doi:10.5194/acp-6-1455-2006, 2006. (Pubitemid 44195043)
11. Capouet, M., Peeters, J., Noziere, B., and Muller, J.-F.: Alpha-pinene oxidation by OH: simulations of laboratory experiments, Atmos. Chem. Phys., 4, 2285-2311, doi:10.5194/acp-4-2285-2004,2004.
12. Capouet, M., Mueller, J. F., Ceulemans, K., Compernolle, S., Vereecken, L., and Peeters, J.: Modeling aerosol formation in alpha-pinene photo-oxidation experiments, J. Geophys. Res.-Atmos., 113,D02308, doi:10.1029/2007JD008995,2008.
13. Carter, W. P. L., Darnall, K. R., Graham, R. A., Winer, A. M., and Pitts, J. N.: Reactions of C2 and C4 alpha-hydroxy radicals with oxygen, J. Phys. Chem., 83, 2305-2311, 1979.
14. Chung, S. H. and Seinfeld, J. H.: Global distribution and climate forcing of carbonaceous aerosols, J. Geophys. Res.-Atmos., 107, doi:10.1029/ 2001JD001397, 2002. (Pubitemid 43206212)
15. Cocker, D. R. I., Flagan, R. C., and Seinfeld, J. H.: State-of-the-art chamber facility for studying atmospheric aerosol chemistry, Environ. Sci. Technol., 35, 2594-2601, 2001.
16. Crounse, J. D., McKinney, K. A., Kwan, A. J., and Wennberg, P. O.: Measurement of gas-phase hydroperoxides by chemical ioniza-tion mass spectrometry, Anal. Chem., 78, 6726-6732, 2006. (Pubitemid 44522521)
17. Crounse, J. D., Paulot, F., Kjaergaard, H. G., and Wennberg, P. O.: Peroxy radical isomerization in the oxidation of isoprene, Phys. Chem. Chem. Phys., 13, 13607-13613, doi:10.1039/C1CP21330J, 2011.
18. da Silva, G., Graham, C., and Wang, Z.-F.: Unimolecular beta-Hydroxyperoxy Radical Decomposition with OH Recycling in the Photochemical Oxidation of Isoprene, Environ Sci. Technol., 44, 250-256, doi:10.1021/ es900924d, 2010.
19. Davis, M. E., Talukdar, R. K., Notte, G., Ellison, G. B., and Burkholder, J. B.: Rate coefficients for the OH plus pinonalde-hyde (C10H16O2) reaction between 297 and 374K, Environ. Sci. Technol., 41, 3959-3965, 2007. (Pubitemid 46903206)
20. 2 and other substituted peroxy radicals, Atmos. Chem. Phys., 8, 4877-4889, doi:10.5194/acp-8-4877-2008, 2008.
21. Goldstein, A. H. and Galbally, I. E.: Known and unexplored organic constituents in the Earth's atmosphere, Environ. Sci. Technol., 41, 1514-1521, 2007. (Pubitemid 46362448)
22. Grosjean, D.: Atmospheric chemistry of alcohols, J. Braz. Chem. Soc., 8, 433-442, 1997.
23. Guenther, A., Hewitt, C. N., Erickson, D., Fall, R., Geron, C., Graedel, T., Harley, P., Klinger, L., Lerdau, M., Mckay, W. A., Pierce, T., Scholes, B., Steinbrecher, R., Tallamraju, R., Taylor, J., and Zimmerman, P.: A global model of natural volatile organic compound emissions, J. Geophys. Res.-Atmos., 100, 8873-8892, doi:10.1029/94JD02950, 1995. (Pubitemid 26439580)
24. 2) radicals, J. Phys. Chem. A, 108, 5979-5989, 2004.
25. Hatakeyama, S., Izumi, K., Fukuyama, T., Akimoto, H., and Washida, N.: Reactions of OH with alpha-pinene and beta-pinene in air-Estimate of global CO production from the atmospheric oxidation of terpenes, J. Geophys. Res.-Atmos., 96, 947-958, 1991.
26. 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, doi:10.1029/90JD02341, 1997.
27. Ianni, J. C.: Kintecus, Window v. 2.80, www.kintecus.com, 2002.
28. Jaoui, M. and Kamens, R. M.: Mass balance of gaseous and particu-late products analysis from alpha-pinene/NOx/air in the presence of natural sunlight, J. Geophys. Res.-Atmos., 106, 12541-12558, doi:10.1029/2001JD900005, 2001.
29. Jorand, F., Heiss, A., Perrin, O., Sahetchian, K., Kerhoas, L., and Einhorn, J.: Isomeric hexyl-ketohydroperoxides formed by reactions of hexoxy and hexylperoxy radicals in oxygen, Int. J. Chem. Kinet., 35, 354-366, doi:10.1002/kin.10136, 2003.
30. Kavouras, I. G., Mihalopoulos, N., and Stephanou, E. G.: Formation of atmospheric particles from organic acids produced by forests, Nature (London), 395, 683-686, 1998. (Pubitemid 28475962)
31. Kavouras, I. G., Mihalopoulos, N., and Stephanou, E. G.: Formation and gas/particle partitioning of monoterpenes photo-oxidation products over forests, Geophys. Res. Lett., 26, 55-58, doi:10.1029/1998GL900251, 1999. (Pubitemid 29224015)
32. Keywood, M. D., Varutbangkul, V., Bahreini, R., Flagan, R. C., and Seinfeld, J. H.: Secondary organic aerosol formation from the ozonolysis of cycloalkenes and related compounds, Environ. Sci. Technol., 38, 4157-4164, 2004. (Pubitemid 39014199)
33. Kwok, E. S. C. and Atkinson, R.: Estimation of hydroxyl radical reaction rate constants for gas-phase organic compounds using a structure-reactivity relationship: an update, Atmos. Environ., 29, 1685-1695, 1995. (Pubitemid 26436793)
34. Laaksonen, A., Kulmala, M., O'Dowd, C. D., Joutsensaari, J., Vaat-tovaara, P., Mikkonen, S., Lehtinen, K. E. J., Sogacheva, L., Dal Maso, M., Aalto, P., Petäjä, T., Sogachev, A., Yoon, Y. J., Li-havainen, H., Nilsson, D., Facchini, M. C., Cavalli, F., Fuzzi, S., Hoffmann, T., Arnold, F., Hanke, M., Sellegri, K., Umann, B., Junkermann, W., Coe, H., Allan, J. D., Alfarra, M. R., Worsnop, D. R., Riekkola, M.-L., Hyötyläinen, T., and Viisanen, Y.: The role of VOC oxidation products in continental new particle formation, Atmos. Chem. Phys., 8, 2657-2665, doi:10.5194/acp-8-2657-2008, 2008.
35. Larsen, B. R., Di Bella, D., Glasius, M., Winterhalter, R., Jensen, N. R., and Hjorth, J.: Gas-phase OH oxidation of monoterpenes: Gaseous and particulate products, J. Atmos. Chem., 38, 231-276, 2001. (Pubitemid 32266085)
36. Lee, A., Goldstein, A. H., Kroll, J. H., Ng, N. L., Varutbangkul, V., Flagan, R. C., and Seinfeld, J. H.: Gas-phase products and secondary aerosol yields from the photooxidation of 16 different terpenes, J. Geophys. Res.-Atmos., 111, D17305, doi:10.1029/2006JD007050, 2006.
37. Lelieveld, J., Butler, T. M., Crowley, J. N., Dillon, T. J., Fischer, H., Ganzeveld, L., Harder, H., Lawrence, M. G., Martinez, M., Taraborrelli, D., and Williams, J.: Atmospheric oxidation capacity sustained by a tropical forest, Nature, 452, 737-740, 2008. (Pubitemid 351521085)
38. Librando, V. and Tringali, G.: Atmospheric fate of OH initiated oxidation of terpenes. Reaction mechanism of alpha-pinene degradation and secondary organic aerosol formation, J. Environ. Manage., 75, 275-282, 2005. (Pubitemid 40485780)
39. Monks, P. S., Granier, C., Fuzzi, S., Stohl, A., Williams, M. L., Aki-moto, H., Amann, M., Baklanov, A., Baltensperger, U., Bey, I., Blake, N., Blake, R. S., Carslaw, K., Cooper, O. R., Dentener, F., Fowler, D., Fragkou, E., Frost, G. J., Generoso, S., Ginoux, P., Grewe, V., Guenther, A., Hansson, H. C., Henne, S., Hjorth, J., Hofzumahaus, A., Huntrieser, H., Isaksen, I. S. A., Jenkin, M. E., Kaiser, J., Kanakidou, M., Klimont, Z., Kulmala, M., Laj, P., Lawrence, M. G., Lee, J. D., Liousse, C., Maione, M., McFig-gans, G., Metzger, A., Mieville, A., Moussiopoulos, N., Orlando, J. J., O'Dowd, C. D., Palmer, P. I., Parrish, D. D., Petzold, A., Platt, U., Pöschl, U., Prevot, A. S. H., Reeves, C. E., Reimann, S., Rudich, Y., Sellegri, K., Steinbrecher, R., Simpson, D., ten Brink, H., Theloke, J., van der Werf, G. R., Vautard, R., Vestreng, V., Vlachokostas, C., and von Glasow, R.: Atmospheric composition change-global and regional air quality, Atmos. Environ., 43, 5268-5350, 2009.
40. Müller, L., Reinnig, M.-C., Naumann, K. H., Saathoff, H., Mentel, T. F., Donahue, N. M., and Hoffmann, T.: Formation of 3-methyl-1,2,3- butanetricarboxylic acid via gas phase oxidation of pinonic acid-a mass spectrometric study of SOA aging, Atmos. Chem. Phys., 12, 1483-1496, doi:10.5194/acp-12-1483-2012, 2012.
41. Nguyen, T. L., Vereecken, L., and Peeters, J.: HOx Regeneration in the Oxidation of Isoprene III: Theoretical Study of the key Isomerisation of the Z-delta-hydroxy-peroxy Isoprene Radicals, Chem. Phys. Chem., 11, 3996-4001, doi:10.1002/cphc.201000480, 2010.
42. Niki, H., Maker, P. D., Savage, C. M., and Breitenbach, L. P.: A Fourier transform infrared study of the kinetics and mechanism for the reaction hydroxyl + methyl hydroperoxide, J. Phys. Chem., 87, 2190-2193, 1983.
43. 2 self-reactions and cross reactions, J. Phys. Chem. A, 114, 6983-6995, 2010.
44. Noziere, B., Barnes, I., and Becker, K.-H.: Product study and mechanisms of the reactions of alpha-pinene and of pinonaldehyde with OH radicals, J. Geophys. Res.-Atmos., 104, 23645-23656, doi:10.1029/1999JD900778, 1999.
45. Paulot, F., Crounse, J. D., Kjaergaard, H. G., Kroll, J. H., Seinfeld, J. H., and Wennberg, P. O.: Isoprene photooxidation: new insights into the production of acids and organic nitrates, Atmos. Chem. Phys., 9, 1479-1501, doi:10.5194/acp-9-1479-2009, 2009a.
46. Paulot, F., Crounse, J. D., Kjaergaard, H. G., Kurten, A., St. Clair, J. M., Seinfeld, J. H., and Wennberg, P. O.: Unexpected epoxide formation in the gas-phase photooxidation of isoprene, Science, 325, 730-733, 2009b.
47. Peeters, J. and Muller, J. F.: HOx radical regeneration in isoprene oxidation via peroxy radical isomerisations. II: experimental evidence and global impact, Phys. Chem. Chem. Phys., 12, 14227-14235, doi:10.1039/C0CP00811G, 2010.
48. Peeters, J., Nguyen, T. L., and Vereecken, L.: HOx radical regeneration in the oxidation of isoprene, Phys. Chem. Chem. Phys., 11, 5935-5939, 2009.
49. 10OH radicals in oxygen. Analytical-steady state solution by use of the Laplace transform, J. Chem. Soc. Faraday T., 94, 2323-2335, doi:10.1039/a803340d, 1998. (Pubitemid 128758454)
50. 3), Atmos. Chem. Phys., 10, 11261-11276, doi:10.5194/acp-10-11261-2010, 2010.
51. 2 using chemical ionization mass spectrometry, Phys. Chem. Chem. Phys., 9, 4338-4348, doi:10.1039/B703038J, 2007.
52. Ren, X., Olson, J. R., Crawford, J. H., Brune, W. H., Mao, J., Long, R. B., Chen, Z., Chen, G., Avery, M. A., Sachse, G. W., Bar-rick, J. D., Diskin, G. S., Huey, L. G., Fried, A., Cohen, R. C., Heikes, B., Wennberg, P. O., Singh, H. B., Blake, D. R., and Shet-ter, R. E.: HOx chemistry during INTEX-A 2004: observation, model calculation, and comparison with previous studies, J. Geo-phys. Res.-Atmos., 113, D05310, doi:10.1029/2007JD009166, 2008.
53. Sander, S. P., Finlayson-Pitts, B. J., Friedl, R. R., Golden, D. M., Huie, R. E., Kolb, C. E., Kurylo, M. J., Molina, M. J., Moortgat, G. K., Orkin, V. L., and Ravishankara, A. R.: Chemical kinetics and photochemical data for use in atmospheric studies, evaluation number 15, Tech. rep., Jet Propulsion Laboratory, 2006.
54. 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, doi:10.5194/acp-3-161-2003, 2003.
55. St. Clair, J. M., McCabe, D. C., Crounse, J. D., Steiner, U., and Wennberg, P. O.: Chemical ionization tandem mass spectrometer for the in situ measurement of methyl hydrogen peroxide, Rev. Sci. Instrum., 81, 094102, doi:10.1063/1.3480552, 2010.
56. Steinbrecher, R., Smiatek, G., Koeble, R., Seufert, G., Theloke, J., Hauff, K., Ciccioli, P., Vautard, R., and Curci, G.: Intra-and inter-annual variability of VOC emissions from natural and semi-natural vegetation in Europe and neighbouring countries, Atmos. Environ., 43, 1380-1391, 2009.
57. Szmigielski, R., Surratt, J. D., Gomez-Gonzalez, Y., Van der Veken, P., Kourtchev, I., Vermeylen, R., Blockhuys, F., Jaoui, M., Kleindienst, T. E., Lewandowski, M., Offenberg, J. H., Edney, E. O., Seinfeld, J. H., Maenhaut, W., and Claeys, M.: 3-methyl-1,2,3-butanetricarboxylic acid: an atmospheric tracer for terpene secondary organic aerosol, Geophys. Res. Lett., 34, L24811, doi:10.1029/2007GL031338, 2007. (Pubitemid 351279337)
58. Taylor, W. D., Allston, T. D., Moscato, M. J., Fazekas, G. B., Ko-zlowski, R., and Takacs, G. A.: Atmospheric photo-dissociation lifetimes for nitromethane, methyl nitrite, and methyl nitrate, Int. J. Chem. Kinet., 12, 231-240, doi:10.1002/kin.550120404, 1980.
59. 3OOH, J. Phys. Chem., 93, 1948-1959, 1989.
60. Vereecken, L. and Peeters, J.: Enhanced H-atom abstraction from pinonaldehyde, pinonic acid, pinic acid, and related compounds: theoretical study of C-H bond strengths, Phys. Chem. Chem. Phys., 4, 467-472, doi:10.1039/B109370C, 2002.
61. Vereecken, L., Muller, J. F., and Peeters, J.: Low-volatility poly-oxygenates in the OH-initiated atmospheric oxidation of alpha-pinene: impact of non-traditional peroxyl radical chemistry, Phys. Chem. Chem. Phys., 9, 5241-5248, doi:10.1039/B708023A, 2007.
62. 2 and NO, Atmos. Environ., 42, 6614-6619, 2008.
63. Wisthaler, A., Jensen, N. R., Winterhalter, R., Lindinger, W., and Hjorth, J.: Measurements of acetone and other gas phase product yields from the OH-initiated oxidation of terpenes by proton-transfer-reaction mass spectrometry (PTR-MS), Atmos. Environ., 35, 6181-6191, 2001. (Pubitemid 33041393)
64. Wolfe, G. M., Thornton, J. A., Bouvier-Brown, N. C., Goldstein, A. H., Park, J.-H., McKay, M., Matross, D. M., Mao, J., Brune, W. H., LaFranchi, B. W., Browne, E. C., Min, K.-E., Wooldridge, P. J., Cohen, R. C., Crounse, J. D., Faloona, I. C., Gilman, J. B., Kuster, W. C., de Gouw, J. A., Huisman, A., and Keutsch, F. N.: The Chemistry of Atmosphere-Forest Exchange (CAFE) Model-Part 2: Application to BEARPEX-2007 observations, Atmos. Chem. Phys., 11, 1269-1294, doi:10.5194/acp-11-1269-2011, 2011.
65. Yu, J., Griffin, R. J., Cocker, David R., I., Flagan, R. C., Seinfeld, J. H., and Blanchard, P.: Observation of gaseous and particulate products of monoterpene oxidation in forest atmospheres, Geo-phys. Res. Lett., 26, 1145-1148, doi:10.1029/1999GL900169, 1999. (Pubitemid 29390844)
66. Zhang, Y. Y., Müller, L., Winterhalter, R., Moortgat, G. K., Hoffmann, T., and Pöschl, U.: Seasonal cycle and temperature dependence of pinene oxidation products, dicarboxylic acids and nitro-phenols in fine and coarse air particulate matter, Atmos. Chem. Phys., 10, 7859-7873, doi:10.5194/acp-10-7859-2010, 2010.