Atmospheric oxidation pathways of propane and its by-products: Acetone, acetaldehyde, and propionaldehyde

Journal of Geophysical Research Atmospheres

Volumn 112, Issue 14, 2007, Pages

  Rosado Reyes, Claudette M ^a   Francisco, Joseph S ^a  

^a PURDUE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACETONE; ALDEHYDES; ATMOSPHERIC CHEMISTRY; FREE RADICALS; HYDROCARBONS; OXIDATION; PHOTOLYSIS; PROPANE; TOXICITY;

ACETALDEHYDE; ACETONE; ATMOSPHERIC CHEMISTRY; CHLORINE; HYDROXYL RADICAL; NONMETHANE HYDROCARBON; OXIDANT; PROPANE;

EID: 34548711872     PISSN: 01480227     EISSN: None     Source Type: Journal    
DOI: 10.1029/2006JD007566     Document Type: Article

References (58)

1. Aikin, A. C., J. R. Herman, E. J. Maier, and C. J. McQuillan (1982), Atmospheric chemistry of ethane and ethylene, J. Geophys Res., 87, 3105-3118.
2. Alvarez-Idaboy, J., R. N. Mora-Diez, R. J. Boyd, and A. Vivier-Bunge (2001), On the importance of prereactive complexes in the molecule-radical reactions: Hydrogen abstraction from aldehydes by OH, J. Am. Chem. Soc., 123(9), 2018-2024.
3. Atkinson, R. (1990), Gas-phase tropospheric chemistry of organic compounds: A review, Atmos. Environ., Part A, 24(1), 1-41.
4. Atkinson, R. (1994), Gas-phase tropospheric chemistry of organic compounds, J. Phys. Chem. Ref. Data Monogr., 2, 1-126.
5. Atkinson, R. (1997), Gas-phase tropospheric chemistry of volatile organic compounds. 1. Alkanes and alkenes, J. Phys. Chem., Ref. Data, 26(2), 215-290.
6. Blitz, M. A., D. E. Heard, and M. J. Pilling (2006), Study of acetone photodissociation over the wavelength range 248-330 nm: Evidence of a mechanism involving both the singlet and triplet excited states, J. Phys. Chem. A, 110(21), 6742-6756.
7. Bonsang, B., M. Kanakidou, and G. Lambert (1987), Non-methane hydrocarbons chemistry in the atmosphere of an equatorial forest - A case of indirect photochemical production of OH radicals, Geophys. Res. Lett., 14(12), 1250-1253.
8. Brewer, D. A., T. R. Augustsson, and J. S. Levine (1983), The photochemistry of anthropogenic non-methane hydrocarbons in the troposphere, J. Geophys. Res., 88, 6683-6695.
9. Bridier, I., B. Veyret, R. Lesclaux, and M. E. Jenkin (1993), Flash-photolysis study of the UV spectrum and kinetics of reactions of the acetonylperoxy radical, J. Chem. Soc. Faraday Trans., 89(16), 2993-2997.
10. Butkovskaya, N. I., A. Kukui, and G. Le Bras (2004), Branching fractions for H2O forming channels of the reaction of OH radicals with acetaldehyde, J. Phys. Chem. A, 108(7), 1160-1168.
11. Cameron, M., V. Sivakumaran, T. J. Dillon, and J. N. Crowley (2002), Reaction between OH and CH3CHO-Part 1. Primary product yields of CH3 (296 K), CH3CO (296 K), and H (237-296 K), Phys. Chem. Chem. Phys., 4(15), 3628-3638.
12. Chatfield, R. B., E. P. Gardner, and J. G. Calvert (1987), Sources and sinks of acetone in the troposphere: Behavior of reactive hydrocarbons and a stable product, J. Geophys. Res., 92, 4208-4216.
13. Crutzen, P. J. (1979), Role of NO and NO2 in the chemistry of the troposphere and stratosphere, Annu. Rev. Earth Planet. Sci., 7, 443-472.
14. D'Anna, B., V. Bakken, J. A. Beukes, C. J. Nielsen, K. Brudnik, and J. T. Jodkowski (2003), Experimental and theoretical studies of gas phase NO3 and OH radical reactions with formaldehyde, acetaldehyde and their isotopomers, Phys. Chem. Chem. Phys., 5(9), 1790-1802.
15. DeMore, W. B., and K. D. Bayes (1999), Rate constants for the reactions of hydroxyl radical with several alkanes, cycloalkanes, and dimethyl ether, J. Phys. Chem. A, 103(15), 2649-2654.
16. Finlayson-Pitts, B. J., S. K. Hernandez, and H. N. Berko (1993), A new dark source of the gaseous hydroxyl radical for relative rate measurements, J. Phys. Chem., 97(6), 1172-1177.
17. Frisch, M. J., et al. (2003), Gaussian 03, edited by I. Gaussian, Pittsburgh, Pa.
18. Graedel, T. E., D. T. Hawkins, and L. D. Claxton (1986), Atmospheric Chemical Compounds: Sources, Occurrence, and Bioassay, Elsevier, New York.
19. Grosjean, D., E. L. Williams, E. Grosjean, J. M. Andino, and J. H. Seinfeld (1993), Atmospheric oxidation of biogenic hydrocarbons: Reaction of ozone with beta-pinene, d-limonene, and trans-caryophyllene, Environ. Sci. Technol., 27(13), 2754-2758.
20. Hanst, P. L., and B. W. Gay (1983), Atmospheric oxidation of hydrocarbons: Formation of hydroperoxides and peroxyacids, Atmos. Environ., 17(11), 2259-2265.
21. Hashimoto, T., and S. Iwata (2002), Theoretical study on the weakly-bound complexes in the reactions of hydroxyl radical with saturated hydrocarbons (methane, ethane, and propane), J. Phys. Chem. A, 106(11), 2652-2658.
22. Jaegle, L., D. J. Jacob, W. H. Brune, and P. O. Wennberg (2001), Chemistry of HOx radicals in the upper troposphere, Atmos. Environ., 35(3), 469-489.
23. Jenkin, M. E., R. A. Cox, M. Emrich, and G. K. Moortgat (1993), Mechanism of the Cl-atom-initiated oxidation of acetone and hydroxyacetone in air, J. Chem. Soc. Faraday Trans., 89(16), 2983-2991.
24. Kaiser, E. W., and T. J. Wallington (1996), Kinetics of the reactions of chlorine atoms with C2H4 (k1) and C2H2 (k2): A determination of ΔH298 for C2H3, J. Phys. Chem., 100(10), 4111-4119.
25. Kanakidou, M., B. Bonsang, and G. Lambert (1989), Light-hydrocarbons vertical profiles and fluxes in a French rural area, Atmos. Environ., 23(5), 921-927.
26. Kanakidou, M., H. B. Singh, K. M. Valentin, and P. J. Crutzen (1991), A 2-dimensional study of ethane and propane oxidation in the troposphere, J. Geophys. Res., 96, 15,395-15,413.
27. Koch, G., and G. K. Moortgat (1998), Photochemistry of methyl glyoxal in the vapor phase, J. Phys. Chem. A, 102(46), 9142-9153.
28. Langford, A. O., and C. B. Moore (1984), Collision complex-formation in the reactions of formyl radicals with nitric-oxide and oxygen, J. Chem. Phys., 80(9), 4211-4221.
29. Le Crane, J. P., E. Villenave, M. D. Hurley, T. J. Wallington, and J. C. Ball (2005), Atmospheric chemistry of propionaldehyde: Kinetics and mechanism of reactions with OH radicals and Cl atoms, UV spectrum, and self-reaction kinetics of CH3CH2 C(O)O2 radicals at 298 K, J. Phys. Chem. A, 109(51), 11,837-11,850.
30. Leone, J. A., and J. H. Seinfeld (1985), Comparative analysis of chemical reaction mechanisms for photochemical smog, Atmos. Environ., 19(3), 437-464.
31. Masgrau, L., Á. Gonzalez-Lafont, and J. M. Lluch (2002), Variational transition-state theory rate constant calculations with multidimensional tunneling of the reaction of acetone with OH, J. Phys. Chem. A, 106(48), 11,760-11,770.
32. Mellouki, A., S. Teton, G. Laverdet, A. Quilgars, and G. Lebras (1994), Kinetic studies of OH reactions with H2O2, C3H8, and CH4 using the pulsed-laser photolysis/laser-induced fluorescense method, J. Chim. Phys. Phys. Chim. Biol., 91(5), 473-487.
33. Niki, H., P. D. Maker, C. M. Savage, and L. P. Breitenbach (1985), An FTIR study of the Cl-atom-initiated reaction of glyoxal, Int. J. Chem. Kinet., 17(5), 547-558.
34. Orlando, J. J., and G. S. Tyndall (2001), The atmospheric chemistry of the HC(O)CO radical, Int. J. Chem. Kinet., 33(3), 149-156.
35. Orlando, J. J., G. S. Tyndall, L. Vereecken, and J. Peeters (2000), The atmospheric chemistry of the acetonoxy radical, J. Phys. Chem. A, 104(49), 11,578-11,588.
36. Roberts, J. M., et al. (1995), Relationships between PAN and ozone at sites in eastern North America, J. Geophys. Res., 100, 22,821-22,830.
37. Rosado-Reyes, C. M., and J. S. Francisco (2006), Atmospheric oxidation pathways of acetic acid, J. Phys. Chem. A, 110, 4419-4433.
38. Rudolph, J., and D. H. Ehhalt (1981), Measurements of C2-C5 hydrocarbons over the North Atlantic, J. Geophys. Res., 86, 1959-1964.
39. Singh, H. B., and J. F. Kasting (1988), Chlorine-hydrocarbon photochemistry in the marine troposphere and lower stratosphere, J. Atmos. Chem., 7(3), 261-285.
40. Singh, H. B., D. O'Hara, D. Herlth, W. Sachse, D. R. Blake, J. D. Bradshaw, M. Kanakidou, and P. J. Crutzen (1994), Acetone in the atmosphere: Distribution, sources, and sinks, J. Geophys. Res., 99, 1805-1819.
41. Singh, H. B., M. Kanakidou, P. J. Crutzen, and D. J. Jacob (1995), High concentrations and photochemical fate of oxygenated hydrocarbons in the global troposphere, Nature, 378(6552), 50-54.
42. Singh, H., et al. (2000), Distribution and fate of selected oxygenated organic species in the troposphere and lower stratosphere over the Atlantic, J. Geophys Res., 105, 3795-3805.
43. Sivakumaran, V., and J. N. Crowley (2003), Reaction between OH and CH3CHO-Part 2. Temperature dependent rate coefficient (201-348 K), Phys. Chem. Chem. Phys., 5(1), 106-111.
44. Soto, M. R., and M. Page (1990), Features of the potential-energy surface for reactions of the OH with CH2O, J. Phys. Chem. A, 94(8), 3242-3246.
45. Talukdar, R. K., A. Mellouki, T. Gierczak, S. Barone, S. Y. Chiang, and A. R. Ravishankara (1994), Kinetics of the reactions of OH with alkanes, Int. J. Chem. Kinet., 26(10), 973-990.
46. Tuazon, E. C., and R. A. Atkinson (1989), A product study of the gas-phase reaction of methyl vinyl ketone with OH radical in the presence of NOx, Int. J. Chem Kinet., 21(2), 1141-1152.
47. Tyndall, G. S., J. J. Orlando, T. J. Wallington, M. Dill, and E. W. Kaiser (1997), Kinetics and mechanisms of the reactions of chlorine atoms with ethane, propane, and n-butane, Int. J. Chem. Kinet., 29(1), 43-55.
48. Tyndall, G. R. S., J. J. Orlando, T. J. Wallington, M. D. Hurley, M. Goto, and M. Kawasaki (2002), Mechanism of the reaction of OH radicals with acetone and acetaldehyde at 251 and 296 K, Phys. Chem. Chem. Phys., 4(11), 2189-2193.
49. Vanderberk, S., and J. Peeters (2003), The reaction of acetaldehyde and propionaldehyde with hydroxyl radicals: Experimental determination of the primary H2O yield at room temperature, J. Photochem. Photobiol. A, 157(2-3), 269-274.
50. Vanderberk, S., L. Vereecken, and J. Peeters (2002), The acetic acid forming channel in the acetone + OH reaction: A combined experimental and theoretical investigation, Phys. Chem. Chem. Phys., 4, 461-466.
51. Vasvári, G., I. Szilagyi, A. Bencsura, S. Dóbé, T. Bérces, E. Henon, S. Canneaux, and F. Bohr (2001), Reaction and complex formation between OH radical and acetone, Phys. Chem. Chem. Phys., 3(4), 551-555.
52. von Kuhlmann, R., M. G. Lawrence, P. J. Crutzen, and P. J. Rasch (2003), A model for studies of tropospheric ozone and nonmethane hydrocarbons: Model description and ozone results, J. Geophys. Res., 108(D9), 4294, doi:10.1029/2002JD002893.
53. Wang, J. J., H. B. Chen, G. P. Glass, and R. F. Curl (2003), Kinetic study of the reaction of acetaldehyde with OH, J. Phys. Chem. A, 107(49), 10,834-10,844.
54. Wennberg, P. O., et al. (1998), Hydrogen radicals, nitrogen radicals, and the production of O3 in the upper troposphere, Science, 279(5347), 49-53.
55. Westberg, H., and P. Zimmerman (1993), Analyical methods used to identify nonmethane organic-compounds in ambient atmospheres, Adv. Chem. Ser., 232, 275-290.
56. Wollenhaupt, M., and J. N. Crowley (2000), Kinetic studies of the reactions CH3 + NO2 → products, CH3O + NO2 → products, and OH+CH3- C(O)CH3 → CH3C (O)OH + CH3, over a range of temperature and pressure, J. Phys. Chem. A, 104(27), 6429-6438.
57. Wollenhaupt, M., S. A. Carl, A. Horowitz, and J. N. Crowley (2000), Rate coefficients for the reaction of OH and acetone between 202 and 395 K, J. Phys. Chem. A, 104(12), 2695-2705.
58. Zhu, L., D. Kellis, and C. F. Ding (1996), Photolysis of glyoxal at 193, 248, 308 and 351 nm, Chem. Phys. Lett., 257(5-6), 487-491.