A comparison of chemical mechanisms using tagged ozone production potential (TOPP) analysis

Atmospheric Chemistry and Physics

Volumn 15, Issue 15, 2015, Pages 8795-8808

  Coates, J ^a   Butler, T M ^a  

^a INSTITUTE FOR ADVANCED SUSTAINABILITY STUDIES   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ATMOSPHERIC CHEMISTRY; DEGRADATION; OZONE; REACTION KINETICS; VOLATILE ORGANIC COMPOUND;

EID: 84938924801     PISSN: 16807316     EISSN: 16807324     Source Type: Journal    
DOI: 10.5194/acp-15-8795-2015     Document Type: Article

References (45)

1. Ahmadov, R., McKeen, S., Trainer, M., Banta, R., Brewer, A., Brown, S., Edwards, P. M., de Gouw, J. A., Frost, G. J., Gilman, J., Helmig, D., Johnson, B., Karion, A., Koss, A., Langford, A., Lerner, B., Olson, J., Oltmans, S., Peischl, J., Pétron, G., Pichugina, Y., Roberts, J. M., Ryerson, T., Schnell, R., Senff, C., Sweeney, C., Thompson, C., Veres, P. R., Warneke, C., Wild, R., Williams, E. J., Yuan, B., and Zamora, R.: Understanding high wintertime ozone pollution events in an oil- and natural gas-producing region of the western US, Atmos. Chem. Phys., 15, 411-429, doi:10.5194/acp-15-411-2015, 2015.
2. Atkinson, R.: Atmospheric chemistry of VOCs and NOx, Atmos. Environ., 34, 2063-2101, 2000.
3. Baker, A. K., Beyersdorf, A. J., Doezema, L. A., Katzenstein, A., Meinardi, S., Simpson, I. J., Blake, D. R., and Rowland, F. S.: Measurements of nonmethane hydrocarbons in 28 United States cities, Atmos. Environ., 42, 170-182, 2008.
4. Baklanov, A., Schlünzen, K., Suppan, P., Baldasano, J., Brunner, D., Aksoyoglu, S., Carmichael, G., Douros, J., Flemming, J., Forkel, R., Galmarini, S., Gauss, M., Grell, G., Hirtl, M., Joffre, S., Jorba, O., Kaas, E., Kaasik, M., Kallos, G., Kong, X., Korsholm, U., Kurganskiy, A., Kushta, J., Lohmann, U., Mahura, A., Manders-Groot, A., Maurizi, A., Moussiopoulos, N., Rao, S. T., Savage, N., Seigneur, C., Sokhi, R. S., Solazzo, E., Solomos, S., Sørensen, B., Tsegas, G., Vignati, E., Vogel, B., and Zhang, Y.: Online coupled regional meteorology chemistry models in Europe: current status and prospects, Atmos. Chem. Phys., 14, 317-398, doi:10.5194/acp-14-317-2014, 2014.
5. Bloss, C., Wagner, V., Jenkin, M. E., Volkamer, R., Bloss, W. J., Lee, J. D., Heard, D. E., Wirtz, K., Martin-Reviejo, M., Rea, G., Wenger, J. C., 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, doi:10.5194/acp-5-641-2005, 2005.
6. Butler, T. M., Lawrence, M. G., Taraborrelli, D., and Lelieveld, J.: Multi-day ozone production potential of volatile organic compounds calculated with a tagging approach, Atmos. Environ., 45, 4082-4090, 2011.
7. Carter, W. P. L.: Development of ozone reactivity scales for volatile organic compounds, J. Air Waste Manage., 44, 881-899, 1994.
8. Damian, V., Sandu, A., Damian, M., Potra, F., and Carmichael, G.: The kinetic preprocessor KPP - a software environment for solving chemical kinetics, Comput. Chem. Eng., 26, 1567-1579, 2002.
9. 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. Environ., 30, 181-199, 1996.
10. 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. Environ., 32, 2429-2441, 1998.
11. Derwent, R. G., Jenkin, M. E., Pilling, M. J., Carter, W. P. L., and Kaduwela, A.: Reactivity scales as comparative tools for chemical mechanisms, J. Air Waste Manage., 60, 914-924, 2010.
12. Derwent, R. G., Utember, S. R., Jenkin, M. E., and Shallcross, D. E.: Tropospheric ozone production regions and the intercontinental origins of surface ozone over Europe, Atmos. Environ., 112, 216-224, 2015
13. Dodge, M.: Chemical oxidant mechanisms for air quality modeling: critical review, Atmos. Environ., 34, 2103-2130, 2000.
14. Dunker, A. M., Kumar, S., and Berzins, P. H.: A comparison of chemical mechanisms used in atmospheric models, Atmos. Environ., 18, 311-321, 1984.
15. Dunker, A. M., Koo, B., and Yarwood, G.: Source Apportionment of the Anthropogenic Increment to Ozone, Formaldehyde, and Nitrogen Dioxide by the Path- Integral Method in a 3D Model, Environ. Sci. Technol., 49, 6751-6759, 2015.
16. EEA: Air quality in Europe - 2014 report, Tech. Rep. 5/2014, European Environmental Agency, Publications Office of the European Union, doi:10.2800/22847, 2014.
17. Emmerson, K. M. and Evans, M. J.: Comparison of tropospheric gas-phase chemistry schemes for use within global models, Atmos. Chem. Phys., 9, 1831-1845, doi:10.5194/acp-9-1831-2009, 2009.
18. Emmons, L. K., Walters, S., Hess, P. G., Lamarque, J.-F., Pfister, G. G., Fillmore, D., Granier, C., Guenther, A., Kinnison, D., Laepple, T., Orlando, J., Tie, X., Tyndall, G., Wiedinmyer, C., Baughcum, S. L., and Kloster, S.: Description and evaluation of the Model for Ozone and Related chemical Tracers, version 4 (MOZART-4), Geosci. Model Dev., 3, 43-67, doi:10.5194/gmd-3-43-2010, 2010.
19. Foster, P. N., Prentice, I. C., Morfopoulos, C., Siddall, M., and van Weele, M.: Isoprene emissions track the seasonal cycle of canopy temperature, not primary production: evidence from remote sensing, Biogeosciences, 11, 3437-3451, doi:10.5194/bg-11-3437-2014, 2014.
20. Gery, M. W., Whitten, G. Z., Killus, J. P., and Dodge, M. C.: A photochemical kinetics mechanism for urban and regional scale computer modeling, J. Geophys. Res., 94, 12925-12956, 1989.
21. Goliff, W. S., Stockwell, W. R., and Lawson, C. V.: The regional atmospheric chemistry mechanism, version 2, Atmos. Environ., 68, 174-185, 2013.
22. Goliff, W. S., Luria, M., Blake, D. R., Zielinska, B., Hallar, G., Valente, R. J., Lawson, C. V., and Stockwell, W. R.: Nighttime air quality under desert conditions, Atmos. Environ., 114, 102-111, 2015.
23. Harwood, M., Roberts, J., Frost, G., Ravishankara, A., and Burkholder, J.: Photochemical studies of CH3C(O)OONO2 (PAN) and CH3CH2C(O)OONO2 (PPN): NO3 quantum yields, J. Phys. Chem. A, 107, 1148-1154, 2003.
24. Hogo, H. and Gery, M.: User's guide for executing OZIPM-4 (Ozone Isopleth Plotting with Optional Mechanisms, Version 4) with CBM-IV (Carbon-Bond Mechanisms-IV) or optional mechanisms. Volume 1. Description of the ozone isopleth plotting package. Version 4, Tech. rep., US Environmental Protection Agency, Durham, North Carolina, USA, 1989.
25. Hou, X., Zhu, B., Fei, D., and Wang, D.: The impacts of summer monsoons on the ozone budget of the atmospheric boundary layer of the Asia-Pacific region, Sci. Total Environ., 502, 641-649, 2015.
26. HTAP: Hemispheric Transport of Air Pollution 2010, Part A: Ozone and Particulate Matter, Air Pollution Studies No.17, Geneva, Switzerland, 2010.
27. Jenkin, M. E. and Clemitshaw, K. C.: Ozone and other secondary photochemical pollutants: chemical processes governing their formation in the planetary boundary layer, Atmos. Environ., 34, 2499-2527, 2000.
28. Jenkin, M. E., Saunders, S. M., and Pilling, M. J.: The tropospheric degradation of volatile organic compounds: a protocol for mechanism development, Atmos. Environ., 31, 81-104, 1997.
29. 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, doi:10.5194/acp-3-181-2003, 2003.
30. Jenkin, M. E., Watson, L. A., Utembe, S. R., and Shallcross, D. E.: A Common Representative Intermediates (CRI) mechanism for VOC degradation. Part 1: Gas phase mechanism development, Atmos. Environ., 42, 7185-7195, 2008.
31. Kleinman, L. I.: Seasonal dependence of boundary layer peroxide concentration: the low and high NOx regimes, J. Geophys. Res., 96, 20721-20733, 1991.
32. Kleinman, L. I.: Low and high NOx tropospheric photochemistry, J. Geophys. Res., 99, 16831-16838, 1994.
33. Koss, A. R., de Gouw, J., Warneke, C., Gilman, J. B., Lerner, B. M., Graus, M., Yuan, B., Edwards, P., Brown, S. S., Wild, R., Roberts, J. M., Bates, T. S., and Quinn, P. K.: Photochemical aging of volatile organic compounds associated with oil and natural gas extraction in the Uintah Basin, UT, during a wintertime ozone formation event, Atmos. Chem. Phys., 15, 5727-5741, doi:10.5194/acp-15-5727-2015, 2015.
34. Kuhn, M., Builtjes, P. J. H., Poppe, D., Simpson, D., Stockwell, W. R., Andersson-Sköld, Y., Baart, A., Das, M., Fiedler, F., Hov, Ø., Kirchner, F., Makar, P. A., Milford, J. B., Roemer, M. G. M., Ruhnke, R., Strand, A., Vogel, B., and Vogel, H.: Intercomparison of the gas-phase chemistry in several chemistry and transport models, Atmos. Environ., 32, 693-709, 1998.
35. Li, J., Georgescu, M., Hyde, P., Mahalov, A., and Moustaoui, M.: Achieving accurate simulations of urban impacts on ozone at high resolution, Environ. Res. Lett., 9, 114019, doi:10.1088/1748-9326/9/11/114019, 2014.
36. Lidster, R. T., Hamilton, J. F., Lee, J. D., Lewis, A. C., Hopkins, J. R., Punjabi, S., Rickard, A. R., and Young, J. C.: The impact of monoaromatic hydrocarbons on OH reactivity in the coastal UK boundary layer and free troposphere, Atmos. Chem. Phys., 14, 6677-6693, doi:10.5194/acp-14-6677-2014, 2014.
37. Rickard, A., Young, J., Pilling, M., Jenkin. M., Pascoe, S., and Saunders S.: The Master Chemical Mechanism Version MCM v3.2, available at: , last access: 15 July 2015.
38. Sander, R., Kerkweg, A., Jöckel, P., and Lelieveld, J.: Technical note: The new comprehensive atmospheric chemistry module MECCA, Atmos. Chem. Phys., 5, 445-450, doi:10.5194/acp-5-445-2005, 2005.
39. 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.
40. Sillman, S.: The relation between ozone, NOx and hydrocarbons in urban and polluted rural environments, Atmos. Environ., 33, 1821-1845, 1999.
41. Stevenson, D. S., Young, P. J., Naik, V., Lamarque, J.-F., Shindell, D. T., Voulgarakis, A., Skeie, R. B., Dalsoren, S. B., Myhre, G., Berntsen, T. K., Folberth, G. A., Rumbold, S. T., Collins, W. J., MacKenzie, I. A., Doherty, R. M., Zeng, G., van Noije, T. P. C., Strunk, A., Bergmann, D., Cameron- Smith, P., Plummer, D. A., Strode, S. A., Horowitz, L., Lee, Y. H., Szopa, S., Sudo, K., Nagashima, T., Josse, B., Cionni, I., Righi, M., Eyring, V., Conley, A., Bowman, K. W., Wild, O., and Archibald, A.: Tropospheric ozone changes, radiative forcing and attribution to emissions in the Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP), Atmos. Chem. Phys., 13, 3063-3085, doi:10.5194/acp-13-3063-2013, 2013.
42. Stockwell, W. R., Middleton, P., Chang, J. S., and Tang, X.: The second generation regional acid deposition model chemical mechanism for regional air quality modeling, J. Geophys. Res., 95, 16343-16367, 1990.
43. Stockwell, W. R., Kirchner, F., Kuhn, M., and Seefeld, S.: A new mechanism for regional atmospheric chemistry modeling, J. Geophys. Res.-Atmos., 102, 25847-25879, 1997.
44. Watson, L. A., Shallcross, D. E., Utembe, S. R., and Jenkin, M. E.: A Common Representative Intermediates (CRI) mechanism for VOC degradation. Part 2: Gas phase mechanism reduction, Atmos. Environ., 42, 7196-7204, 2008.
45. Yarwood, G., Rao, S., Yocke, M., and Whitten, G. Z.: Updates to the Carbon Bond Chemical Mechanism: CB05, Tech. rep., US Environmental Protection Agency, Novato, California, USA, 2005.