Evaluation of detailed aromatic mechanisms (MCMv3 and MCMv3.1) against environmental chamber data

Atmospheric Chemistry and Physics

Volumn 5, Issue 3, 2005, Pages 623-639

  Bloss, C ^a   Wagner, V ^a   Bonzanini, A ^a   Jenkin, M E ^b   Wirtz, K ^c   Martin Reviejo, M ^c   Pilling, M J ^a  

^a UNIVERSITY OF LEEDS   (United Kingdom)

^b IMPERIAL COLLEGE LONDON   (United Kingdom)

^c FUNDACIÓN CENTRO DE ESTUDIOS AMBIENTALES DEL MEDITERRÁNEO CEAM   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 16444378042     PISSN: 16807316     EISSN: None     Source Type: Journal    
DOI: 10.5194/acp-5-623-2005     Document Type: Article

References (38)

1. AQS (2000): The air quality strategy for England, Scotland, Wales and Northern Ireland, Cm 4548, SE 2000/3, NIA7, Department of the Environment, Transport and the Regions, London, 2000.
2. Atkinson, R., Aschmann, S. M., Arey, J., and Carter, W. P. L.: Formation of ring retaining products from the OH radical-initiated reactions of benzene and toluene, Int. J. Chem. Kinet., 21, 801-827, 1989.
3. Becker, K. H.: EUPHORE: Final Report to the European Commission, Contract #EV5V-CT92-0059, Bergische Universität Wuppertal, Germany, 1996.
4. Bloss, C., Wagner, V., Jenkin, M. E., Bloss, W. J., Lee, J. D., Heard, D. E., Wirtz, K., Martin-Reviejo, M., and Pilling, M. J.: Development of a detailed chemical mechanism (MCMv3.1) for the atmospheric oxidation of aromatic hydrocarbons, Atmos. Chem. Phys., 5, 641-664, 2005, SRef-ID: 1680-7324/acp/2005-5-641.
5. Bloss, W. J., Lee, J. D., Bloss, C., Wirtz, K., Martin-Reviejo, M., Siese, M., Heard, D. E., and Pilling, M. J.: Validation of the calibration of a laser-induced fluorescence instrument for the measurement of OH radicals in the atmosphere, Atmos. Chem. Phys., 4, 571-583, 2003, SRef-ID: 1680-7324/acp/2004-4-571.
6. CAFE: The Clean Air for Europe (CAFE) Programme: towards a thematic strategy of air quality, Communication from the Commission, COM(2001) 245, Brussels, 2001.
7. Calvert, J. G., Atkinson, R., Becker, K. H., Kamens, R. M., Seinfeld, J. H., Wallington, T. J., and Yarwood, G.: ne Mechanisms of Atmospheric Oxidation of Aromatic Hydrocarbons, Oxford University Press, 2002.
8. Carter, W. P. L.: Computer Modeling of Environmental Chamber Measurements of Maximum Incremental Reactivities of Volatile Organic-Compounds, Atmos. Envir., 29(18), 2513-2527, 1995.
9. Carter, W. P. L. and Lurmann, F. W.: Evaluation of a Detailed Gas-Phase Atmospheric Reaction-Mechanism Using Environmental Chamber Data, Atmospheric Environment Part a - General Topics, 25(12), 2771-2806, 1991.
10. Carter, W. P. L., Luo, D. M., Malkina, I. L., and Pierce, J. A.: Environmental chamber studies of atmospheric reactivities of volatile organic compounds, Effects of varying chamber and light source, Report to National Renewable Energy Laboratory, Contract XZ2-12075, Coordinating Research Council, Inc., Project M-9, California Air Resources Board, Contract A032-0692, and the South Coast Air Quality Management District, Contract C91323, 1995.
11. Derwent, R. G., Jenkin, M. E., and Saunders, S. M.: Photochemical ozone creation potentials for a large number of reactive hydrocarbons under European conditions, Atmos. Envir., 30(2), 181-199, 1996.
12. Derwent, R. G., Jenkin, M. E., Saunders, S. M., and Pilling, M. J.: Photochemical ozone creation potentials for organic compounds in northwest Europe calculated with a master chemical mechanism, Atmos. Envir., 32(14-15), 2429-2441, 1998.
13. Dodge, M. C.: Chemical oxidant mechanisms for air quality modeling: critical review, Atmos. Envir., 34, 2103-2130, 2000.
14. Finlayson-Pitts, B. J. and Pitts, J. N.: Tropospheric air pollution: ozone, airborne toxics, polycyclic aromatic hydrocarbons, and particles, Science, 276, 1045-1052, 1997.
15. Finlayson-Pitts, B. J. and Pitts, J. N.: Chemistry of the upper and lower atmosphere: Theory, experiments and applications, San Diego, Academic Press, 1999.
16. Forstner, H. J. L., Flagan, R. C., and Seinfeld, J. H.: Secondary organic aerosol from the photooxidation of aromatic hydrocarbons: Molecular composition, Environ. Sci. Technol., 31(5), 1345-1358, 1997.
17. Graedler, F. and Barnes, I.: Photolysis of Z-/E-3-Hexenedione, EUPHORE Annual Report 1997, 148, 1997.
18. Hamilton, J. F., Lewis, A. C., Bloss, C., Wagner, V., Henderson, A. P., Golding, B. T., Wirtz, K., Martin-Reviejo, M., and Pilling, M. J.: Measurements of photo-oxidation products from the reaction of a series of alkyl-benzenes with hydroxyl radicals during EXACT using comprehensive gas chromatography, Atmos. Chem. Phys., 3, 1999-2014, 2003, SRef-ID: 1680-7324/acp/2003-3-1999.
19. Houweling, S. F., Dentener, F., and Lieleveld, J.: The impact of non-methane hydrocarbon compounds on tropospheric photochemistry, J. Geophys. Res.-Atmos., 103, 10 673-10 696, 1998.
20. Jang, M. and Kamens, R. M.: Characterization of secondary aerosol from the photooxidation of toluene in the presence of NOx and 1-propene, Environ. Sci. Technol., 35, 3626-3639, 2001.
21. Jenkin, M. E., Saunders, S. M., and Derwent, R. G.: Photochemical Ozone Creation Potentials for Aromatic Hydrocarbons: Sensitivity to Variations in Kinetic and Mechanistic Parameters, Chemical Behaviour of Aromatic hydrocarbons in the Troposphere, Valencia, Spain, 81-87, 2000.
22. Jenkin, M. E., Saunders, S. M., Wagner, V., and Pilling, M. J.: Protocol for the development of the Master Chemical Mechanism, MCMv3 (Part B): tropospheric degradation of aromatic volatile organic compounds, Atmos. Chem. Phys., 3, 181-193, 2003, SRef-ID: 1680-7324/acp/2003-3-181.
23. Johnson, D., Jenkin, M. E., Wirtz, K., and Martin-Reviejo, M.: Simulating the Formation of Secondary Organic Aerosol from the Photooxidation of Toluene, Environmental Chemistry, 1, 150-165, 2004.
24. Johnson, D., Jenkin, M. E., Wirtz, K., and Martin-Reviejo, M.: Simulating the Formation of Secondary Organic Aerosol from the Photooxidation of Aromatic Hydrocarbons, Environmental Chemistry, in press, 2004.
25. Killus, J. P. and Whitten, G. Z.: Backgroud reactivity in smog chambers, Int. J. Chem. Kinet., 22, 547-575, 1990.
26. Klotz, B., Sorensen, S., Barnes, I., Becker, K. H., Etzkom, T., Volkamer, R., Platt, U., Wirtz, K., and Martin-Reviejo, M.: Atmospheric oxidation of toluene in a large-volume outdoor photoreactor: In situ determination of ring-retaining product yields, J. Phys. Chem. A, 102(50), 10 289-10 299, 1998.
27. Liang, J. and Jacobson, M. Z.: Compariosn of a 4000 reaction chemical mechanism with the carbon bond IV and an adjusted carbon bond IV-EX mechanism using SMVGEAR II., Atmos. Envir., 34, 3015-3026, 2000.
28. Olariu, R. I., Klotz, B., Barnes, I., Becker, K. H., and Mocanu, R.: FT-IR study of the ring- retaining products from the reaction of OH radicals with phenol, o-, m-, and p-cresol, Atmos. Envir., 36(22), 3685-3697, 2002.
29. PORG: Ozone in the United Kingdom, Report prepared by the UK Photochemical Oxidants Review Group, London, HMSO Publications, 1997.
30. Smith, D. F., McIver, C. D., and Kleindienst, T. E.: Primary product distribution from the reaction of hydroxyl radicals with toluene at ppb NOX mixing ratios, J. Atmos. Chem., 30(2), 209-228, 1998.
31. Smith, D. F., Kleindienst, T. E., and McIver, C. D.: Primary product distributions from the reaction of OH with m-, p-xylene, 1,2,4-and 1,3,5-trimethylbenzene, J. Atmos. Chem., 34(3), 339-364, 1999.
32. Solomon, P., Cowling, E., Hidy, G., and Furiness, C.: Comparison of scientific findings from major ozone field studies in North America and Europe, Atmos. Envir., 34(12-14), 1885-1920, 2000.
33. Thuener, L. P., Rea, G., and Wenger, J.: Photolysis of butenedial and 4-oxo-2-pentenal, EUPHORE Annual Report 2001, 2003.
34. Tuazon, E. C., Atkinson, R., Plum, C. N., Winer, A. M., and Pitts, J. N.: The Reaction of Gas-Phase N2o5 with Water-Vapor, Geophys. Res. Lett., 10(10), 953-956, 1983.
35. Volkamer, R., Platt, U., and Wirtz, K.: Primary and secondary glyoxal formation from aromatics: Experimental evidence for the bicycloalkyl-radical pathway from benzene, toluene, and p-xylene, J. Phys. Chem. A, 105(33), 7865-7874, 2001.
36. Volkamer, R., Klotz, B., Barnes, I., Imamura, T., Wirtz, K., Washida, N., Becker, K. H., and Platt, U.: OH-initiated oxidation of benzene - Part I. Phenol formation under atmospheric conditions, Phys. Chem. Chem. Phys., 4(9), 1598-1610, 2002.
37. Wagner, V., Jenkin, M. E., Saunders, S. M., Stanton, J., Wirtz, K., and Pilling, M. J.: Modelling of the photooxidation of Toluene: conceptual ideas for validating detailed mechanisms, Atmos. Chem. Phys., 3, 89-106,2003, SRef-ID: 1680-7324/acp/2003-3-89.
38. Zádor, J., Wagner, V., Wirtz, K., and Pilling, M. J.: Quantitative assessment of uncertainties for a model of tropospheric ethene oxidation using the European Photochemical Reactor, Atmos. Envir., in press, 2004.