Kinetics and atmospheric implications of peroxy radical cross reactions involving the CH3C(O)O2 radical

Journal of Geophysical Research Atmospheres

Volumn 103, Issue D19, 1998, Pages 25273-25285

  Villenave, Eric ^a   Lesclaux, Robert ^a   Seefeld, Stephan ^b,d   Stockwell, William R ^c  

^a UNIVERSITÉ DE BORDEAUX   (France)

^b SWISS FEDERAL INSTITUTE OF AQUATIC SCIENCE AND TECHNOLOGY   (Switzerland)

^c KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

^d ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ATMOSPHERIC CHEMISTRY; PEROXY RADICAL; REACTION KINETICS; TROPOSPHERE;

EID: 0032454464     PISSN: 01480227     EISSN: None     Source Type: Journal    
DOI: 10.1029/98JD00926     Document Type: Article

References (49)

1. Atkinson, R., D.L. Baulch, R.A. Cox, R.F. Hampson, J.A. Kerr, and J. Troe, Evaluated kinetic and photochemical data for atmospheric chemistry, Supplement IV, J. Phys. Chem. Ref. Data, 21, 1125-1568, 1992.
2. Atkinson, R., Gas-phase tropospheric chemistry of organic compounds, Monograph 2, J. Phys. Chem. Ref. Data, 24, 1-216, 1994.
3. Atkinson, R., D.L. Baulch, R.A. Cox, R.F. Hampson, J.A. Kerr, M.J. Rossi, and J. Troe, Evaluated kinetic, photochemical and heterogeneous data for atmospheric chemistry, Supplement V, J. Phys. Chem. Ref. Data, 26, 521-1113, 1997.
4. 2, Int. J. Chem. Kinet., 21, 499-517, 1989.
5. Baulch, D.L., J. Duxbury, S.J. Grant, and D.C. Montague, Evaluated kinetic data for high temperature reactions, 4, Homogeneous gas phase reactions of halogen- and cyanide-containing species, J. Phys. Chem. Ref. Data, 10, 1-721, 1981.
6. Bridier, I., B. Veyret, R. Lesclaux, and M.E. Jenkin, Flash photolysis study of the UV spectrum and kinetics of reactions of the acetonylperoxy radical, J. Chem. Soc. Faraday Trans., 89(16), 2993-2997, 1993.
7. Brown, P.N., G.D. Byrne, and A.C. Hindmarsh, VODE: A variable-coefficient ODE solver, J. Sci. Stat. Comput., 10(5), 1038-1051, 1989.
8. Calvert, J.G., and J.N. Pitts, Photochemistry, John Wiley, New York, 1966.
9. Crowley, J.N., and G.K. Moortgat, 2-bromoethylperoxy and 2-bromo-1-methylpropylperoxy radicals: Ultraviolet absorption spectra and self-reaction rate constants at 298 K, J. Chem. Soc. Faraday Trans., 88, 2437-2444, 1992.
10. Cvetanovic, R.J., R.P. Overend, and G. Paraskevopoulos, Accuracy and precision of gas phase kinetics techniques, Int. J. Chem. Kinet., S1, 249-271, 1975.
11. Cvetanovic, R.J., D.L. Singleton, and G. Paraskevopoulos, Evaluations of the mean values and standard errors of rate constants and their temperature coefficients, J. Phys. Chem., 83, 50-60, 1979.
12. Darley, E.F., K.A. Kettner, and E.R. Stephens, Analysis of peroxyacetyl nitrates by gas chromatography with electron capture detection, Anal. Chem., 35, 589-591, 1963.
13. DeMore, W.B., S.P. Sander, D. Golden, R.F. Hampson, M.J. Kurylo, C.T. Howard, A.R. Ravishankara, C.E. Kolb, and M.J. Molina, Chemical kinetics and photochemical data for use in stratospheric modeling, evaluation number 12, JPL Publ. 97-4, 1-266, 1997.
14. Donahue, N.M., and R.G. Prinn, Nonmethane hydrocarbon chemistry in the remote marine boundary layer, J. Geophys. Res., 95, 18,387-18,411, 1990.
15. Eberhard, J., C. Müller, D.W. Stocker, and J.A. Kerr, Isomerization of alkoxy radicals under atmospheric conditions, Environ. Sci. Technol., 29, 232-241, 1995.
16. 3 association reaction with molecular oxygen at 298 and 333 K and from 1 to 760 torr of total pressure, J. Phys. Chem., 97, 5313-5320, 1993.
17. Hayman, G.D., M.E. Jenkin, and T.P. Murrels, Laboratory studies of peroxy radical reactions of importance for tropospheric chemistry, in Eurotrac Annual Report, Part 8-Lactoz, pp. 113-121, Ed. Fraunhofer Institute (IFU), Garmisch-Partenkirschen, 1990.
18. 2 between 263 and 333 K, J. Chem. Soc. Faraday Trans., 88, 3305-3312, 1992.
19. 2 and BrCl between 190 and 600 nm, J. Photochem. Photobiol. A: Chem., 86, 1-8, 1995.
20. Huebert, B.J., and R.M. Martin, Gas-phase far-ultraviolet absorption spectrum of hydrogen bromide and hydrogen iodide, J. Phys. Chem., 72, 3046-3048, 1968.
21. Joseph, J.H., and W.I. Wiscombe, The Delta-Eddington approximation for radiative flux transfer, J. Atmos. Sci., 33, 2452-2459, 1976.
22. Kirchner, F., and W.R. Stockwell, Effect of peroxy radical reactions on the predicted concentrations of ozone, nitrogenous compounds, and radicals, J. Geophys. Res., 101, 21,007-21,022, 1996.
23. Kirchner, F., and W.R. Stockwell, Correction to "Effect of peroxy radical reactions on the predicted concentrations of ozone, nitrogenous compounds and radicals" by Frank Kirchner and William R. Stockwell, J. Geophys. Res., 102, 10,871, 1997.
24. Kuhn, M. et al., Intercomparison of the gas-phase chemistry in several chemistry and transport models, Atmos. Environ., in press, 1998.
25. 8 n-alkanes, J. Phys. Chem., 100, 214-219, 1996.
26. Lesclaux, R., Combination of peroxyl radicals in the gas phase, in Peroxyl Radicals, edited by Z.B. Alfassi, pp.81-112, John Wiley, New York, 1997.
27. 2 reaction: Rate constants and branching ratios from 248 to 573 K, J. Phys. Chem., 94, 700-707, 1990.
28. Lightfoot, P.D., R.A. Cox, J.N. Crowley, M. Destriau, G.D. Hayman, M.E. Jenkin, G.K. Moortgat, and F. Zabel, Organic peroxy radicals: Kinetics, spectroscopy and tropospheric chemistry, Atmos. Environ., 26A, 1806-1963, 1992.
29. Madronich, S., Photodissociation in the atmosphere, 1. Actinic flux and the effects on ground reflections and clouds, J. Geophys. Res., 92, 9740-9752, 1987.
30. Madronich, S, and J.G. Calvert, Permutation reactions of organic peroxy radicals in the troposphere, J. Geophys. Res., 95, 5697-5715, 1990.
31. Mallard, W.G., F. Westley, J.T. Herron, and R.F. Hampson, Chemical Kinetics Database 17, NIST Stand. Ref. Data, Nat. Inst. of Stand. and Technol., Gaithersburg, Md., 1994.
32. 2, J. Phys. Chem., 100, 4507-4513, 1996.
33. 2 in the temperature range 253-368 K, Chem. Phys. Lett., 160, 443-447, 1989.
34. 2 (PAN), Int. J. Chem. Kinet., 17, 525-534, 1985.
35. Roehl, C.M., D. Bauer, and G.K. Moortgat, Absorption spectrum and kinetics of the acetylperoxy radical, J. Phys. Chem., 100, 4038-4047, 1996.
36. Rowley, D.M., P.D. Lightfoot, R. Lesclaux, and T.J. Wallington, UV spectrum and self-reaction kinetics of the cyclohexylperoxy radical, J. Chem. Soc. Faraday Trans., 87, 3221-3226, 1991.
37. Rowley, D.M., P.D. Lightfoot, R. Lesclaux, and T.J. Wallington, UV spectrum and self-reaction kinetics of the cyclopentylperoxy radical, J. Chem. Soc. Faraday Trans., 88, 1369-1376, 1992.
38. 10 + Br, J. Am. Chem. Soc., 110, 3084-3091, 1988.
39. Seefeld, S., Laboratory kinetic and atmospheric modelling studies of the role of peroxyacyl nitrates in tropospheric photo-oxidant formation, Ph.D. thesis, Swiss Fed. Inst. of Technol., Zurich, 1997.
40. Singh H.B., D. O'Hara, D. Herlth, J.D. Bradshaw, S.T. Sandholm, G.L. Gregory, G.W. Sachse, D.R. Blake, P.J. Crutzen, and M.A. Kanakidou, Atmospheric measurements of peroxyacetyl nitrate and other organic nitrates at high latitudes: Possible sources and sinks, J. Geophys. Res., 97, 16,511-16,522, 1992.
41. Stephens, E.R., The formation, reactions and properties of peroxyacetyl nitrate (PAN) in photochemical air pollution, Adv. Environ. Sci. Technol., 1, 119-146, 1969.
42. Stockwell, W.R., F. Kirchner, M. Kuhn, and S. Seefeld, A new mechanism for regional atmospheric chemistry modeling, J. Geophys, Res., 102, 25,847-25,879, 1997.
43. Trainer, M., E.Y. Hsie, S.A. Mc Keen, R. Tallamraju, D.D. Parrish, F.C. Fehsenfeld, and S.C. Liu, Impact of natural hydrocarbons on hydroxyl and peroxy radicals at a remote site, J. Geophys. Res., 92, 11879-11894, 1987.
44. Villenave, E., Etude cinétique de réactions de radicaux peroxyles d'intéret en chimie de l'atmosphère: Relations structure - réactivité, Ph.D. thesis, pp. 1-194, Univ. Bordeaux I, Bordeaux, France, 1996.
45. 2 radicals with selected peroxy radicals, J. Phys. Chem., 100, 14,372-14,382, 1996a.
46. Villenave, E., and R. Lesclaux, Effect of bromine substitution on structure-reactivity relationships of peroxy radicals, in Air Pollut. Res. Rep. 57, Proceedings of the Joint CEC-Eurotrac Workshop, Strasbourg, 25-26 September 1995, pp.407-412, Ed. Ph. Mirabel, Strasbourg, 1996b.
47. Wallington, T.J., L.M. Skewes, W.O. Siegl, and S.M. Japar, A relative rate study of the reaction of bromine atoms with a variety of organic compounds at 295 K, Int. J. Chem. Kinet., 21, 1069-1076, 1989.
48. Wallington, T.J., P. Dagaut, and M.J. Kurylo, Ultraviolet absorption cross sections and reaction kinetics and mechanisms for peroxy radicals in the gas phase, Chem. Rev., 92, 667-710, 1992a.
49. Wallington, T.J., J.M. Andino, A.R. Potts, and O.J. Nielsen, Pulse radiolysis and Fourier transform infrared study of neopentyl peroxy radicals in the gas phase at 297 K, Int. J. Chem. Kinet., 24, 649-663, 1992b.