The influence of temperature on ozone production under varying NOx conditions - A modelling study

Atmospheric Chemistry and Physics

Volumn 16, Issue 18, 2016, Pages 11601-11615

  Coates, Jane ^a   Mar, Kathleen A ^a   Ojha, Narendra ^b   Butler, Tim M ^a  

^a INSTITUTE FOR ADVANCED SUSTAINABILITY STUDIES   (Germany)

^b MAX PLANCK INSTITUTE FOR CHEMISTRY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ATMOSPHERIC DEPOSITION; ATMOSPHERIC MODELING; ATMOSPHERIC POLLUTION; EMISSION; NITROGEN OXIDES; OZONE; VOLATILE ORGANIC COMPOUND;

EUROPE;

EID: 84988864323     PISSN: 16807316     EISSN: 16807324     Source Type: Journal    
DOI: 10.5194/acp-16-11601-2016     Document Type: Article

References (56)

1. Atkinson, R. Atmospheric chemistry of VOCs and NOx . Atmos. Environ., 34, 2063-2101, 2000.
2. Atkinson, R., Aschmann, S. M., and Winer, A. M. Alkyl nitrate formation from the reaction of a series of branched RO2 radicals with NO as a function of temperature and pressure. J. Atmos. Chem., 5, 91-102, 1987.
3. Baertsch-Ritter, N., Keller, J., Dommen, J., and Prevot, A. S. H. Effects of various meteorological conditions and spatial emissionresolutions on the ozone concentration and ROG/NOx limitationin the Milan area (I). Atmos. Chem. Phys., 4, 423-438, doi:10.5194/acp-4-423-2004, 2004.
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. Bonn, B., von Schneidemesser, E., Andrich, D., Quedenau, J., Gerwig, H., Lüdecke, A., Kura, J., Pietsch, A., Ehlers, C., Klemp, D., Kofahl, C., Nothard, R., Kerschbaumer, A., Junkermann, W., Grote, R., Pohl, T., Weber, K., Lode, B., Schönberger, P., Churkina, G., Butler, T. M., and Lawrence, M. G. BAERLIN2014-The influence of land surface types on and the horizontal heterogeneity of air pollutant levels in Berlin. Atmos. Chem. Phys., 16, 7785-7811, doi:10.5194/acp-16-7785-2016, 2016.
6. Borbon, A., Fontaine, H., Veillerot, M., Locoge, N., Galloo, J., and Guillermo, R. An investigation into the traffic-related fraction of isoprene at an urban location. Atmos. Environ., 35, 3749-3760, 2001.
7. Butler, T., Lawrence, M., Taraborrelli, D., and Lelieveld, J. Multiday ozone production potential of volatile organic compounds calculated with a tagging approach. Atmos. Environ., 45, 4082-4090, 2011.
8. Calfapietra, C., Fares, S., Manes, F., Morani, A., Sgrigna, G., and Loreto, F. Role of Biogenic Volatile Organic Compounds (BVOC) emitted by urban trees on ozone concentration in cities: A review. Environ. Pollut., 183, 71-80, 2013.
9. Carter, W. P. L. Development of a Database for Chemical Mechanism Assignments for Volatile Organic Emissions. J. Air Waste Manage. As., 65, 1171-1184, doi:10.1080/10962247.2015.1013646, 2015.
10. Carter, W. P. L., Winer, A. M., Darnall, K. R., and Pitts Jr., J. N. Smog chamber studies of temperature effects in photochemical smog. Environ. Sci. Technol., 13, 1094-1100, 1979.
11. Coates, J. and Butler, T. M. A comparison of chemical mechanisms using tagged ozone production potential (TOPP) analysis. Atmos. Chem. Phys., 15, 8795-8808, doi:10.5194/acp-15-8795-2015, 2015.
12. Dawson, J. P., Adams, P. J., and Pandis, S. N. Sensitivity of ozone to summertime climate in the eastern USA: A modeling case study. Atmos. Environ., 41, 1494-1511, 2007.
13. Dee, D. P., Uppala, S. M., Simmons, A. J., Berrisford, P., Poli, P., Kobayashi, S., Andrae, U., Balmaseda, M. A., Balsamo, G., Bauer, P., Bechtold, P., Beljaars, A. C. M., van de Berg, L., Bidlot, J., Bormann, N., Delsol, C., Dragani, R., Fuentes, M., Geer, A. J., Haimberger, L., Healy, S. B., Hersbach, H., Hálm, E. V., Isaksen, L., Kållberg, P., Köhler, M., Matricardi, M., McNally, A. P., Monge-Sanz, B. M., Morcrette, J.-J., Park, B.-K., Peubey, C., de Rosnay, P., Tavolato, C., Thépaut, J.-N., and Vitart, F. The ERA-Interim reanalysis: configuration and performance of the data assimilation system. Q. J. Roy. Meteor. Soc., 137, 553-597, 2011.
14. 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.
15. 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.
16. Goliff, W. S., Stockwell, W. R., and Lawson, C. V. The regional atmospheric chemistry mechanism, version 2. Atmos. Environ., 68, 174-185, 2013.
17. Guenther, A., Karl, T., Harley, P., Wiedinmyer, C., Palmer, P. I., and Geron, C. Estimates of global terrestrial isoprene emissions using MEGAN (Model of Emissions of Gases and Aerosols from Nature). Atmos. Chem. Phys., 6, 3181-3210, doi:10.5194/acp-6-3181-2006, 2006.
18. Guenther, A. B., Jiang, X., Heald, C. L., Sakulyanontvittaya, T., Duhl, T., Emmons, L. K., andWang, X. The Model of Emissions of Gases and Aerosols from Nature version 2.1 (MEGAN2.1): an extended and updated framework for modeling biogenic emissions. Geosci. Model Dev., 5, 1471-1492, doi:10.5194/gmd-5-1471-2012, 2012.
19. Hatakeyama, S., Akimoto, H., and Washida, N. Effect of temperature on the formation of photochemical ozone in a propenenitrogen oxide (NOx )-Air-irradiation system. Environ. Sci. Technol., 25, 1884-1890, 1991.
20. Jacob, D. J. andWinner, D. A. Effect of climate change on air quality. Atmos. Environ., 43, 51-63, 2009.
21. Jacob, D. J., Logan, J. A., Gardner, G. M., Yevich, R. M., Spivakovsky, C. M., Wofsy, S. C., Sillman, S., and Prather, M. J. Factors regulating ozone over the United States and its export to the global atmosphere. J. Geophys. Res., 98, 14817-14826, doi:10.1029/98JD01224, 1993.
22. Jenkin, M., Watson, L., Utembe, S., and Shallcross, D. A Common Representative Intermediates (CRI) mechanism for VOC degradation. Part 1: Gas phase mechanism development. Atmos. Environ., 42, 7185-7195, 2008.
23. 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.
24. 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.
25. Karl, T. R. and Trenberth, K. E. Modern Global Climate Change. Science, 302, 1719-1723, 2003.
26. Kleinman, L. I. The dependence of tropospheric ozone production rate on ozone precursors. Atmos. Environ., 39, 575-586, 2005.
27. Kuenen, J. J. P., Visschedijk, A. J. H., Jozwicka, M., and Denier van der Gon, H. A. C. TNO-MACC-II emission inventory; a multiyear (2003-2009) consistent high-resolution European emission inventory for air quality modelling. Atmos. Chem. Phys., 14, 10963-10976, doi:10.5194/acp-14-10963-2014, 2014.
28. Lourens, A. S. M., Butler, T. M., Beukes, J. P., van Zyl, P. G., Fourie, G. D., and Lawrence, M. G. Investigating atmospheric photochemistry in the Johennesburg-Pretoria megacity using a box model. SAJOG-S. Afr. J. Obstet., 112, doi:10.17159/sajs.2016/2015-0169, 2016.
29. Mar, K. A., Ojha, N., Pozzer, A., and Butler, T. M. Ozone air quality simulations with WRF-Chem (v3.5.1) over Europe: Model evaluation and chemical mechanism comparison. Geosci. Model Dev. Discuss., doi:10.5194/gmd-2016-131, in review, 2016.
30. Otero, N., Sillmann, J., Schnell, J. L., Rust, H. W., and Butler, T. Synoptic and meteorological drivers of extreme ozone concentrations over Europe. Environ. Res. Lett., 11, 024005, doi:10.1088/1748-9326/11/2/024005, 2016.
31. Pouliot, G., van der Gon, H. A. D., Kuenen, J., Zhang, J., Moran, M. D., and Makar, P. A. Analysis of the emission inventories and model-ready emission datasets of Europe and North America for phase 2 of the AQMEII project. Atmos. Environ., 115, 345-360, 2015.
32. Pusede, S. E., Gentner, D. R., Wooldridge, P. J., Browne, E. C., Rollins, A. W., Min, K.-E., Russell, A. R., Thomas, J., Zhang, L., Brune, W. H., Henry, S. B., DiGangi, J. P., Keutsch, F. N., Harrold, S. A., Thornton, J. A., Beaver, M. R., St. Clair, J. M., Wennberg, P. O., Sanders, J., Ren, X., VandenBoer, T. C., Markovic, M. Z., Guha, A., Weber, R., Goldstein, A. H., and Cohen, R. C. On the temperature dependence of organic reactivity, nitrogen oxides, ozone production, and the impact of emission controls in San Joaquin Valley. California, Atmos. Chem. Phys., 14, 3373-3395, doi:10.5194/acp-14-3373-2014, 2014.
33. Pusede, S. E., Steiner, A. L., and Cohen, R. C. Temperature and Recent Trends in the Chemistry of Continental Surface Ozone. Chem. Rev., 115, 3898-3918, 2015.
34. Rasmussen, D. J., Hu, J., Mahmud, A., and Kleeman, M. J. The Ozone-Climate Penalty: Past. Present, and Future, Environ. Sci. Technol., 47, 14258-14266, 2013.
35. Rickard, A., Young, J., Pilling, M. J., Jenkin, M. E., Pascoe, S., and Saunders, S. M. The Master Chemical Mechanism Version MCM v3.2, available at: http://mcm.leeds.ac.uk/MCMv3.2/, last access: 25 March 2015.
36. Rubin. J. I., Kean, A. J., Harley, R. A., Millet, D. B., and Goldstein, A. H.: Temperature dependence of volatile organic compound evaporative emissions from motor vehicles, J. Geophys. Res.-Atmos., 111, d03305, doi:10.1029/2005JD006458, 2006.
37. Sadanaga, Y., Yoshino, A., Kato, S., and Kajii, Y. Measurements of OH Reactivity and Photochemical Ozone Production in the Urban Atmosphere. Environ. Sci. Technol., 39, 8847-8852, 2005.
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 nonaromatic volatile organic compounds, Atmos. Chem. Phys., 3, 161-180, doi:10.5194/acp-3-161-2003, 2003.
40. Schnell, J. L., Prather, M. J., Josse, B., Naik, V., Horowitz, L. W., Cameron-Smith, P., Bergmann, D., Zeng, G., Plummer, D. A., Sudo, K., Nagashima, T., Shindell, D. T., Faluvegi, G., and Strode, S. A. Use of North American and European air quality networks to evaluate global chemistry-climate modeling of surface ozone. Atmos. Chem. Phys., 15, 10581-10596, doi:10.5194/acp-15-10581-2015, 2015.
41. Sillman, S. The use of NOy . H2O2, and HNO3 as indicators for ozone-NOx-hydrocarbon sensitivity in urban locations, J. Geophys. Res.-Atmos., 100, 14175-14188, 1995.
42. Sillman, S. The relation between ozone, NOx and hydrocarbons in urban and polluted rural environments. Atmos. Environ., 33, 1821-1845, 1999.
43. Sillman, S. and Samson, P. J. Impact of temperature on oxidant photochemistry in urban, polluted rural and remote environments. J. Geophys. Res.-Atmos., 100, 11497-11508, 1995.
44. Simpson, D., Benedictow, A., Berge, H., Bergström, R., Emberson, L. D., Fagerli, H., Flechard, C. R., Hayman, G. D., Gauss, M., Jonson, J. E., Jenkin, M. E., Nyíri, A., Richter, C., Semeena, V. S., Tsyro, S., Tuovinen, J.-P., Valdebenito, A., and Wind, P. The EMEP MSC-W chemical transport model-Technical description. Atmos. Chem. Phys., 12, 7825-7865, doi:10.5194/acp-12-7825-2012, 2012.
45. Solberg, S., Hov, O., Søvde, A., Isaksen, I. S. A., Coddeville, P., De Backer, H., Forster, C., Orsolini, Y., and Uhse, K. European surface ozone in the extreme summer 2003. J. Geophys. Res.-Atmos., 113, D07307, doi:10.1029/2007JD009098, 2008.
46. Staffelbach, T., Neftel, A., Blatter, A., Gut, A., Fahrni, M., Stähelin, J., Prévôt, A., Hering, A., Lehning, M., Neininger, B., Bäumle, M., Kok, G. L., Dommen, J., Hutterli, M., and Anklin, M. Photochemical oxidant formation over southern Switzerland: 1. Results from summer 1994. J. Geophys. Res.-Atmos., 102, 23345-23362, 1997.
47. Steiner, A. L., Tonse, S., Cohen, R. C., Goldstein, A. H., and Harley, R. A. Influence of future climate and emissions on regional air quality in California. J. Geophys. Res.-Atmos., 111, d18303, doi:10.1029/2005JD006935, 2006.
48. 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.-Atmos., 95, 16343-16367, 1990.
49. 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.
50. Vautard, R., Honoré, C., Beekmann, M., and Rouil, L. Simulation of ozone during the August 2003 heat wave and emission control scenarios. Atmos. Environ., 39, 2957-2967, 2005.
51. Vogel, B., Riemer, N., Vogel, H., and Fiedler, F. Findings on NOy as an indicator for ozone sensitivity. J. Geophys. Res., 104, 3605-3620, 1999.
52. von Schneidemesser, E., Monks, P. S., Allan, J. D., Bruhwiler, L., Forster, P., Fowler, D., Lauer, A., Morgan, W. T., Paasonen, P., Righi, M., Sindelarova, K., and Sutton, M. A. Chemistry and the Linkages between Air Quality and Climate Change. Chem. Rev., 115, 3856-3897, doi:10.1021/acs.chemrev.5b00089, 2015.
53. von Schneidemesser, E., Coates, J., Denier van der Gon, H. A. C., Visschedijk, A. J. H., and Butler, T. M. Variation of the NMVOC speciation in the solvent sector and the sensitivity of model led tropospheric ozone. Atmos. Environ., 135, 59-72, doi:10.1016/j.atmosenv.2016.03.057, 2016.
54. Wagner, P. and Kuttler, W. Biogenic and anthropogenic isoprene in the near-surface urban atmosphere-A case study in Essen. Germany, Sci. Total Environ., 475, 104-115, 2014.
55. Wang, J., Chew, C., Chang, C.-Y., Liao, W.-C., Lung, S.-C. C., Chen, W.-N., Lee, P.-J., Lin, P.-H., and Chang, C.-C. Biogenic isoprene in subtropical urban settings and implications for air quality. Atmos. Environ., 79, 369-379, 2013.
56. Yarwood, G., Rao, S., Yocke, M., and Whitten, G. Z. Updates to the Carbon Bond Chemical Mechanism: CB05. Tech. rep., US Environmental Protection Agency, 2005.