Assessment of the reduction methods used to develop chemical schemes: Building of a new chemical scheme for VOC oxidation suited to three-dimensional multiscale HOx-NOx-VOC chemistry simulations

Atmospheric Chemistry and Physics

Volumn 5, Issue 9, 2005, Pages 2519-2538

  Szopa, Sophie ^a,b   Aumont, B ^a   Madronich, S ^c  

^a UNIVERSITÉ PARIS EST CRÉTEIL   (France)

^b LABORATOIRE DES SCIENCES DU CLIMAT ET DE L ENVIRONNEMENT   (France)

^c NATIONAL CENTER FOR ATMOSPHERIC RESEARCH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATMOSPHERIC CHEMISTRY; NUMERICAL MODEL; OXIDATION; PHOTOCHEMISTRY; VOLATILE ORGANIC COMPOUND;

EID: 26944478591     PISSN: 16807316     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (33)

1. Atkinson, R., Baulch, D. L., Cox, R., Hampson, R., Kerr, J., and Rossi, M.: Evaluated kinetics and photochemical data for atmospheric chemistry, Organic species: Supplement VII, J. Phys. Chem. Ref. Data, 28, 191-392, 1999.
2. Aumont, B., Jaecker-Voirol, A., Martin, B., and Toupance, G.: Tests of some reduction hypothesis in photochemical mechanisms: application to air quality modeling in the Paris area, Atmos. Environ., 30, 2061-2077, 1996.
3. x/O3 chemistry in the polluted boundary layer, Atmos. Environ., 37, 487-498, 2003.
4. Aumont, B., Szopa, S., and Madronich, S.: Modelling the evolution of organic carbon during its gas-phase tropospheric oxidation: development of an explicit model based on a self generating approach, Atmos. Chem. Phys., 5, 2497-2517, 2005, SRef-ID: 1680-7324/acp/2005-5-2497.
5. Bey, I., Aumont, B., and Toupance, G.: A modeling study of the nighttime radical chemistry in the lower continental troposphere. I. Development of a detailed chemical mechanism including nighttime chemistry, J. Geophys. Res., 106, 9959-9990, 2001.
6. Calvert, J. G. and Madronich, S.: Theoretical study of the initial products of the atmospheric oxidation of hydrocarbons, J. Geophys. Res., 92, 2211-2220, 1987.
7. Carter, W.: A Detailed Mechanism for the Gas-Phase Atmospheric Reactions of Organic Compounds, Atmos. Environ., 24A, 481-518, 1990.
8. Carter, W. P. L.: Documentation of the SAPRC-99 chemical mechanism for the VOC reactivity assessment, Final Report to the California Air Resources Board under Contracts 92-329 and 95-308, Center of Environmental Research and Technology, Riverside, 2000. http:// pah.cert.ucr.edu/-carter/SAPRC99.htm.
9. Derwent, R. and Jenkin, M.: Hydrocarbons and long-range transport of ozone and PAN across Europe, Atmos. Environ., 25A, 1661-1678,1991.
10. Fiore, A., Jacob, D., Bey, I., Yantosca, R., Field, B., and Fusco, A.: Background ozone over the United States in summer: Origin, trend and contributions to pollution episodes, J. Geophys. Res., 107, 4275, doi:10.1029/2001JD000982, 2002.
11. Gery, M., Whitten, G. Z., and Killus, J., and Dodge, M.: A photochemical kinetics mechanism for urban and regional computer modeling., J. Geophys. Res., 94, 12 925-12 956, 1989.
12. Hough, A.: The production of photochemical pollution in southern England and the effect on vehicle exhaust emission control strategies, AERE Report R-12069, Harwell Laboratory, 1986.
13. x radicals in the upper troposphere, Atmos. Environ., 35, 469-489,2001.
14. Jenkin, M., Saunders, S., Derwent, R., and Pilling, M.: Development of a reduced speciated VOC degradation mechanism for use in ozone models, Atmos. Environ., 30, 4725-4734, 2002.
15. Jenkin, M. E., Saunders, S. M., Wagner, V., and Pilling, M. J.: Protocol for the development of the Master Chemical Mechanism, MCM v3 (Part B): tropospheric degradation of aromatic volatile organic compounds, Atmos. Chem. Phys., 3, 181-193, 2003, SRef-ID: 1680-7324/acp/2003-3-181.
16. Laval-Szopa, S.: Développement d'une chaine automatique d'écriture de schémas chimiques explicites et r-aceduits adaptés à l'étude de la pollution photooxydante, PhD thesis, University of Paris XII, December 2003, available at http:// tel.ccsd.cnrs.fr/documents/archives0/00/00/65/99/index.html.
17. Lesclaux, R.: Combination of peroxyl radicals in the gas phase, in: Peroxyl Radicals, edited by: Alfassi, Z. B., 81-112, John Wiley, New York, 1997.
18. Li, Q., Jacob, D., Bey, I., Palmer, P., Duncan, B., Field, B., Martin, R.,Fiore, A., Yantosca, R., Parrish, D., Simmonds, P., and Oltmans, S.: Transatlantic transport of pollution and its effects on surface ozone in Europe and North America, J. Geophys. Res., 107, 4166, doi:10.1029/ 2001JD001422, 2002.
19. Längmann, B. and Bauer, S.: On the importance of reliable background concentrations of ozone for regional scale photochemical modelling, J. Atmos. Chem., 42, 71-90, 2002.
20. Madronich, S. and Calvert, J. G.: Permutation reactions of organic peroxy radicals in the troposphere, J. Geophys. Res., 95, 5697-5715, 1990.
21. Madronich, S. and Flocke, S.: The role of solar radiation in atmospheic chemistry, in: Handbook of environmental chemistry, edited by: Boule, P., 1-26, Springer, New York, 1998.
22. Middleton, P., Stockwell, W., and Carter, W.: Aggregation and analysis of volatile organic compound emissions for regional modeling, Atmos. Environ., 24, 1107-1133, 1990.
23. x, J. Geophys. Res., 101, 12621-12638, 1996.
24. x: A three dimensional study, J. Geophys. Res., 104, 1705-1715, 1999.
25. Poppe, D., Aumont, B., Ervens, B., Geiger, H., Herrmann, H., Rth, E., Seidl, W., Stockwell, W., Vogel, B., Wagner, S., and Weise, D.: Scenarios for modeling multiphase tropospheric chemistry, J. Atmos.Chem., 40, 77-86, 2001.
26. x photochemistry of the upper troposphere driven by deep tropical convection, Geophys. Res. Lett., 24, 3189-3192, 1997.
27. Programme, W. C. R.: A preliminary cloudness standard atmosphere for radiation computation, WMO/TD 24, International Association for Meteorology and Atmospheric Physics - Radiation Commission, 1986.
28. Sander, S. P., Friedl, R. R., De More, W. B., Golden, D. M., Kurylo, M. J., Hampson, R. F., Huie, R. E., Moortgat, G., Ravishankara, A. R.,Kolb, C. E., and Molina, L. T: Chemical kinetics and photochemical data for use in stratospheric modeling, Jet Propulsion Laboratory, Pasadena, California, 2000.
29. Sillman, S., Logan, J., and Wosfy, S.: The sensitivity of ozone to nitrogen oxides and hydrocarbons in regional ozone episodes, J. Geophys. Res., 95, 1837-1851, 1990.
30. Simpson, D., Guenther, A., Hewitt, C., and Steinbrecher, R.: Biogenic emissions in Europe, I. Estimates and uncertainties, J. Geophys. Res., 100, 22 875-23 373, 1995.
31. Stockwell, W., Kirchner, F., Kuhn, E, and Seefeld, S.: A new mechanism for regional atmospheric chemistry modeling, J. Geophys. Res., 102, 25 847-25 879, 1997.
32. Wennberg, P., Hanisco, T., Jaegle, L., Jacob, D., Hintsa, E., Lanzendorf, E., Anderson, J., Gao, R., Keim, E., Donnelly, S., Del Negro, L., Fahey, D., McKeen, S., Salawitch, R., Webster, C., May, R., Herman, R., Proffitt, M., Margitan, J., Atlas, E., Schauffler, S., Flocke, F., McElroy, C., and Bui, T.: Hydrogen radicals, Nitrogen radicals, and the Production of O3 in the Upper Troposphere, Science, 279, 49-53, 1998.
33. Wesely, M. L.: Parameterization of surface resistances to gaseous dry deposition in regional-scale numerical models, Atmos. Environ., 23, 1293-1304, 1989.