The atmospheric chemistry box model CAABA/MECCA-3.0

Geoscientific Model Development

Volumn 4, Issue 2, 2011, Pages 373-380

  Sander, R ^a   Baumgaertner, A ^a,d   Gromov, S ^a   Harder, H ^a   Jockel P ^a,d   Kerkweg, A ^a,e   Kubistin, D ^a   Regelin, E ^a   Riede, H ^a   Sandu, A ^b   Taraborrelli, D ^a   Tost, H ^a,e   Xie, Z Q ^c  

^a MAX PLANCK INSTITUTE FOR CHEMISTRY   (Germany)

^b VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY   (United States)

^c UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

^d GERMAN AEROSPACE CENTER DLR   (Germany)

^e JOHANNES GUTENBERG UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AEROSOL COMPOSITION; ATMOSPHERIC CHEMISTRY; ATMOSPHERIC MODELING; ISOPRENE; LAGRANGIAN ANALYSIS; MERCURY (ELEMENT); MONTE CARLO ANALYSIS; STEADY-STATE EQUILIBRIUM;

EID: 80053638950     PISSN: 1991959X     EISSN: 19919603     Source Type: Journal    
DOI: 10.5194/gmd-4-373-2011     Document Type: Article

References (38)

1. Atkinson, R., Baulch, D. L., Cox, R. A., Crowley, J. N., Hampson, R. F., Hynes, R. G., Jenkin, M. E., Rossi, M. J., and Troe, J.: Evaluated kinetic and photochemical data for atmospheric chemistry: Volume I - gas phase reactions of Ox, HOx, NOx and SOx species, Atmos. Chem. Phys., 4, 1461-1738, doi:10.5194/acp-4- 1461-2004, 2004. (Pubitemid 39342128)
2. Atkinson, R., Baulch, D. L., Cox, R. A., Crowley, J. N., Hampson, R. F., Hynes, R. G., Jenkin, M. E., Rossi, M. J., Troe, J., and IUPAC Subcommittee: Evaluated kinetic and photochemical data for atmospheric chemistry: Volume II - gas phase reactions of organic species, Atmos. Chem. Phys., 6, 3625-4055, doi:10.5194/acp-6-3625-2006, 2006. (Pubitemid 44369557)
3. Atkinson, R., Baulch, D. L., Cox, R. A., Crowley, J. N., Hampson, R. F., Hynes, R. G., Jenkin, M. E., Rossi, M. J., and Troe, J.: Evaluated kinetic and photochemical data for atmospheric chemistry: Volume III - gas phase reactions of inorganic halogens, Atmos. Chem. Phys., 7, 981-1191, doi:10.5194/acp-7-981- 2007, 2007. (Pubitemid 46346820)
4. Baumgaertner, A. J. G., Jöckel, P., Riede, H., Stiller, G., and Funke, B.: Energetic particle precipitation in ECHAM5/MESSy - Part 2: Solar proton events, Atmos. Chem. Phys., 10, 7285-7302, doi:10.5194/acp-10-7285-2010, 2010.
5. Butler, T. M., Taraborrelli, D., Brühl, C., Fischer, H., Harder, H., Martinez, M., Williams, J., Lawrence, M. G., and Lelieveld, J.: Improved simulation of isoprene oxidation chemistry with the ECHAM5/MESSy chemistry-climate model: lessons from the GABRIEL airborne field campaign, Atmos. Chem. Phys., 8, 4529-4546, doi:10.5194/acp-8-4529-2008, 2008.
6. de Reus, M., Fischer, H., Sander, R., Gros, V., Kormann, R., Salisbury, G., Van Dingenen, R., Williams, J., Zll̈ner, M., and Lelieveld, J.: Observations and model calculations of trace gas scavenging in a dense Saharan dust plume during MINATROC, Atmos. Chem. Phys., 5, 1787-1803, doi:10.5194/acp-5-1787- 2005, 2005. (Pubitemid 41264067)
7. Gromov, S., Jöckel, P., Sander, R., and Brenninkmeijer, C. A. M.: A kinetic chemistry tagging technique and its application to modelling the stable isotopic composition of atmospheric trace gases, Geosci. Model Dev., 3, 337-364, doi:10.5194/gmd-3-337-2010, 2010.
8. Jenkin, M., 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.
9. Jöckel, P., Sander, R., Kerkweg, A., Tost, H., and Lelieveld, J.: Technical Note: The Modular Earth Submodel System (MESSy) - a new approach towards Earth System Modeling, Atmos. Chem. Phys., 5, 433-444, doi:10.5194/acp-5-433-2005, 2005. (Pubitemid 40405294)
10. Jöckel, P., Tost, H., Pozzer, A., Brühl, C., Buchholz, J., Ganzeveld, L., Hoor, P., Kerkweg, A., Lawrence, M. G., Sander, R., Steil, B., Stiller, G., Tanarhte, M., Taraborrelli, D., van Aardenne, J., and Lelieveld, J.: The atmospheric chemistry general circulation model ECHAM5/MESSy1: consistent simulation of ozone from the surface to the mesosphere, Atmos. Chem. Phys., 6, 5067-5104, doi:10.5194/acp-6-5067-2006, 2006. (Pubitemid 44717487)
11. Jöckel, P., Kerkweg, A., Pozzer, A., Sander, R., Tost, H., Riede, H., Baumgaertner, A., Gromov, S., and Kern, B.: Development cycle 2 of the Modular Earth Submodel System (MESSy2), Geosci. Model Dev., 3, 717-752, doi:10.5194/gmd-3-717-2010, 2010.
12. Keene, W. C., Long, M. S., Pszenny, A. A. P., Sander, R., Maben, J. R., Wall, A. J., O'Halloran, T. L., Kerkweg, A., Fischer, E. V., and Schrems, O.: Latitudinal variation in the multiphase chemical processing of inorganic halogens and related species over the eastern North and South Atlantic Oceans, Atmos. Chem. Phys., 9, 7361-7385, doi:10.5194/acp-9-7361-2009, 2009.
13. Kerkweg, A., Buchholz, J., Ganzeveld, L., Pozzer, A., Tost, H., and Jöckel, P.: Technical Note: An implementation of the dry removal processes DRY DEPosition and SEDImentation in the Modular Earth Submodel System (MESSy), Atmos. Chem. Phys., 6, 4617-4632, doi:10.5194/acp-6-4617-2006, 2006a. (Pubitemid 44569867)
14. Kerkweg, A., Sander, R., Tost, H., and Jöckel, P.: Technical note: Implementation of prescribed (OFFLEM), calculated (ONLEM), and pseudo-emissions (TNUDGE) of chemical species in the Modular Earth Submodel System (MESSy), Atmos. Chem. Phys., 6, 3603-3609, doi:10.5194/acp-6-3603-2006, 2006b. (Pubitemid 44329040)
15. Kerkweg, A., Jöckel, P., Pozzer, A., Tost, H., Sander, R., Schulz, M., Stier, P., Vignati, E., Wilson, J., and Lelieveld, J.: Consistent simulation of bromine chemistry from the marine boundary layer to the stratosphere - Part 1: Model description, sea salt aerosols and pH, Atmos. Chem. Phys., 8, 5899-5917, doi:10.5194/acp-8- 5899-2008, 2008.
16. Kohlmann, J.-P. and Poppe, D.: The tropospheric gas-phase degradation of NH3 and its impact on the formation of N2O and NOx, J. Atmos. Chem., 32, 397-415, 1999. (Pubitemid 29134791)
17. Kubistin, D., Harder, H., Martinez, M., Rudolf, M., Sander, R., Bozem, H., Eerdekens, G., Fischer, H., Gurk, C., Klüpfel, T., K̈nigstedt, R., Parchatka, U., Schiller, C. L., Stickler, A., Taraborrelli, D., Williams, J., and Lelieveld, J.: Hydroxyl radicals in the tropical troposphere over the Suriname rainforest: comparison of measurements with the box model MECCA, Atmos. Chem. Phys., 10, 9705-9728, doi:10.5194/acp-10-9705-2010, 2010.
18. Landgraf, J. and Crutzen, P. J.: An efficient method for online calculations of photolysis and heating rates, J. Atmos. Sci., 55, 863-878, 1998.
19. Lelieveld, J., Butler, T. M., Crowley, J. N., Dillon, T. J., Fischer, H., Ganzeveld, L., Harder, H., Lawrence, M. G., Martinez, M., Taraborrelli, D., and Williams, J.: Atmospheric oxidation capacity sustained by a tropical forest, Nature, 452, 737-740, 2008. (Pubitemid 351521085)
20. Madronich, S. and Calvert, J. G.: Permutation reactions of organic peroxy radicals in the troposphere, J. Geophys. Res., 95D, 5697-5715, 1990.
21. Marsaglia, G. and Bray, T. A.: A convenient method for generating normal variables, SIAM Rev., 6, 260-264, 1964.
22. Matsumoto, M. and Nishimura, T.: Mersenne twister: a 623- dimensionally equidistributed uniform pseudo-random number generator, ACM Trans. Model. Comput. Simul., 8, 3-30, 1998.
23. Orlando, J. J., Tyndall, G. S., Bilde, M., Ferronato, C., Wallington, T. J., Vereecken, L., and Peeters, J.: Laboratory and theoretical study of the oxy radicals in the OH- and Cl-initiated oxidation of ethene, J. Phys. Chem. A, 102, 8116-8123, 1998. (Pubitemid 128590291)
24. Peeters, J., Nguyen, T. L., and Vereecken, L.: HOx radical regeneration in the oxidation of isoprene, Phys. Chem. Chem. Phys., 11, 5935-5939, 2009.
25. Pöschl, U., von Kuhlmann, R., Poisson, N., and Crutzen, P. J.: Development and intercomparison of condensed isoprene oxidation mechanisms for global atmospheric modeling, J. Atmos. Chem., 37, 29-52, 2000. (Pubitemid 30488649)
26. Riede, H., Jöckel, P., and Sander, R.: Quantifying atmospheric transport, chemistry, and mixing using a new trajectory-box model and a global atmospheric-chemistry GCM, Geosci. Model Dev., 2, 267-280, doi:10.5194/gmd-2- 267-2009, 2009.
27. Sander, R.: Modeling atmospheric chemistry: Interactions between gas-phase species and liquid cloud/-aerosol particles, Surv. Geophys., 20, 1-31, 1999.
28. 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. (Pubitemid 40405295)
29. Sander, R. et al.: The photolysis module JVAL, compatible with the MESSy standard, Geosci. Model Dev. Discuss., in preparation, 2011.
30. Sander, S. P., Friedl, R. R., Golden, D. M., Kurylo, M. J., Moortgat, G. K., Keller-Rudek, H., Wine, P. H., Ravishankara, A. R., Kolb, C. E., Molina, M. J., Finlayson-Pitts, B. J., Huie, R. E., and Orkin, V. L.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation Number 15, JPL Publication 06-2, Jet Propulsion Laboratory, Pasadena, CA, 2006.
31. Sandu, A. and Sander, R.: Technical note: Simulating chemical systems in Fortran90 and Matlab with the Kinetic PreProcessor KPP-2.1, Atmos. Chem. Phys., 6, 187-195, doi:10.5194/acp-6- 187-2006, 2006. (Pubitemid 43263654)
32. 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
33. Schwartz, S. E.: Mass-transport considerations pertinent to aqueous phase reactions of gases in liquid-water clouds, in: Chemistry of Multiphase Atmospheric Systems, NATO ASI Series, Vol. G6, edited by: Jaeschke,W., Springer Verlag, Berlin, 415-471, 1986.
34. Stavrakou, T., Peeters, J., and Müller, J.-F.: Improved global modelling of HOx recycling in isoprene oxidation: evaluation against the GABRIEL and INTEX-A aircraft campaign measurements, Atmos. Chem. Phys., 10, 9863-9878, doi:10.5194/acp-10-9863- 2010, 2010.
35. Steffen, A., Douglas, T., Amyot, M., Ariya, P., Aspmo, K., Berg, T., Bottenheim, J., Brooks, S., Cobbett, F., Dastoor, A., Dommergue, A., Ebinghaus, R., Ferrari, C., Gardfeldt, K., Goodsite, M. E., Lean, D., Poulain, A. J., Scherz, C., Skov, H., Sommar, J., and Temme, C.: A synthesis of atmospheric mercury depletion event chemistry in the atmosphere and snow, Atmos. Chem. Phys., 8, 1445-1482, doi:10.5194/acp-8-1445-2008, 2008.
36. Stickler, A., Fischer, H., Williams, J., de Reus, M., Sander, R., Lawrence, M. G., Crowley, J. N., and Lelieveld, J.: Influence of summertime deep convection on formaldehyde in the middle and upper troposphere over Europe, J. Geophys. Res., 111D, D14308, doi:10.1029/2005JD007001, 2006. (Pubitemid 46055360)
37. Taraborrelli, D., Lawrence, M. G., Butler, T. M., Sander, R., and Lelieveld, J.: Mainz Isoprene Mechanism 2 (MIM2): an isoprene oxidation mechanism for regional and global atmospheric modelling, Atmos. Chem. Phys., 9, 2751-2777, doi:10.5194/acp-9- 2751-2009, 2009.
38. Xie, Z.-Q., Sander, R., Pöschl, U., and Slemr, F.: Simulation of atmospheric mercury depletion events (AMDEs) during polar springtime using the MECCA box model, Atmos. Chem. Phys., 8, 7165-7180, doi:10.5194/acp-8-7165-2008, 2008.