Articles | Volume 12, issue 4
https://doi.org/10.5194/gmd-12-1365-2019
https://doi.org/10.5194/gmd-12-1365-2019
Model description paper
 | 
05 Apr 2019
Model description paper |  | 05 Apr 2019

The community atmospheric chemistry box model CAABA/MECCA-4.0

Rolf Sander, Andreas Baumgaertner, David Cabrera-Perez, Franziska Frank, Sergey Gromov, Jens-Uwe Grooß, Hartwig Harder, Vincent Huijnen, Patrick Jöckel, Vlassis A. Karydis, Kyle E. Niemeyer, Andrea Pozzer, Hella Riede, Martin G. Schultz, Domenico Taraborrelli, and Sebastian Tauer

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Cited articles

Arey, J., Aschmann, S. M., Kwok, E. S. C., and Atkinson, R.: Alkyl nitrate, hydroxyalkyl nitrate, and hydroxycarbonyl formation from the NOx-air photooxidations of C5-C8 n-alkanes, J. Phys. Chem. A, 105, 1020–1027, https://doi.org/10.1021/jp003292z, 2001. a
Assaf, E., Song, B., Tomas, A., Schoemaecker, C., and Fittschen, C.: Rate constant of the reaction between CH3O2 radicals and OH radicals revisited, J. Phys. Chem. A, 120, 8923–8932, https://doi.org/10.1021/acs.jpca.6b07704, 2016. a
Assaf, E., Sheps, L., Whalley, L., Heard, D., Tomas, A., Schoemaecker, C., and Fittschen, C.: The reaction between CH3O2 radicals and OH radicals: Product yields and atmospheric implications, Environ. Sci. Technol., 51, 2170–2177, https://doi.org/10.1021/acs.est.6b06265, 2017. a
Atkinson, R.: A structure-activity relationship for the estimation of rate constants for the gas-phase reactions of OH radicals with organic compounds, Int. J. Chem. Kinet., 19, 799–828, https://doi.org/10.1002/kin.550190903, 1987. a
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, https://doi.org/10.5194/acp-6-3625-2006, 2006. a, b, c, d
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Short summary
We present the atmospheric chemistry box model CAABA/MECCA which now includes a number of new features: skeletal mechanism reduction, the MOM chemical mechanism for volatile organic compounds, an option to include reactions from the Master Chemical Mechanism (MCM) and other chemical mechanisms, updated isotope tagging, improved and new photolysis modules, and the new feature of coexisting multiple chemistry mechanisms. CAABA/MECCA is a community model published under the GPL.
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