The CAABA/MECCA box model

Version 4.5.0 is the current release of the CAABA/MECCA box model. Detailed descriptions of the code can be found in Rosanka et al. (2021b) and Sander et al. (2019) which are part of a Special Issue in GMD. Additional features of the box model are described in various publications:

The CAABA/MECCA box model has been used to analyse several field campaigns and chamber studies:


   Bleicher, S., Buxmann, J. C., Sander, R., Riedel, T. P., Thornton, J. A., Platt, U., & Zetzsch, C.: The influence of nitrogen oxides on the activation of bromide and chloride in salt aerosol, Atmos. Chem. Phys. Discuss., 14, 10 135–10 166, doi:10.5194/ACPD-14-10135-2014 (2014).

   Cabrera-Perez, D., Taraborrelli, D., Sander, R., & Pozzer, A.: Global atmospheric budget of simple monocyclic aromatic compounds, Atmos. Chem. Phys., 16, 6931–6947, doi:10.5194/ACP-16-6931-2016 (2016).

   de Reus, M., Fischer, H., Sander, R., Gros, V., Kormann, R., Salisbury, G., Van Dingenen, R., Williams, J., Zöllner, M., & 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).

   Derstroff, B., Hüser, I., Bourtsoukidis, E., Crowley, J. N., Fischer, H., Gromov, S., Harder, H., Janssen, R. H. H., Kesselmeier, J., Lelieveld, J., Mallik, C., Martinez, M., Novelli, A., Parchatka, U., Phillips, G. J., Sander, R., Sauvage, C., Schuladen, J., Stönner, C., Tomsche, L., & Williams, J.: Volatile organic compounds (VOCs) in photochemically aged air from the eastern and western Mediterranean, Atmos. Chem. Phys., 17, 9547–9566, doi:10.5194/ACP-17-9547-2017 (2017).

   Eger, P. G., Vereecken, L., Sander, R., Schuladen, J., Sobanski, N., Fischer, H., Karu, E., Williams, J., Vakkari, V., Petäjä, T., Lelieveld, J., Pozzer, A., & Crowley, J. N.: Impact of pyruvic acid photolysis on acetaldehyde and peroxy radical formation in the boreal forest: theoretical calculations and model results, Atmos. Chem. Phys., 21, 14 333–14 349, doi:10.5194/ACP-21-14333-2021 (2021).

   Gabriel, R., von Glasow, R., Sander, R., Andreae, M. O., & Crutzen, P. J.: Bromide content of sea-salt aerosol particles collected over the Indian Ocean during INDOEX 1999, J. Geophys. Res., 107D, 8032, doi:10.1029/2001JD001133 (2002).

   Gromov, S., Jöckel, P., Sander, R., & 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).

   Hens, K., Novelli, A., Martinez, M., Auld, J., Axinte, R., Bohn, B., Fischer, H., Keronen, P., Kubistin, D., Nölscher, A. C., Oswald, R., Paasonen, P., Petäjä, T., Regelin, E., Sander, R., Sinha, V., Sipilä, M., Taraborrelli, D., Tatum Ernest, C., Williams, J., Lelieveld, J., & Harder, H.: Observation and modelling of HOx radicals in a boreal forest, Atmos. Chem. Phys., 14, 8723–8747, doi:10.5194/ACP-14-8723-2014 (2014).

   Hosaynali Beygi, Z., Fischer, H., Harder, H. D., Martinez, M., Sander, R., Williams, J., Brookes, D. M., Monks, P. S., & Lelieveld, J.: Oxidation photochemistry in the Southern Atlantic boundary layer: unexpected deviations of photochemical steady state, Atmos. Chem. Phys., 11, 8497–8513, doi:10.5194/ACP-11-8497-2011 (2011a).

   Hosaynali Beygi, Z., Fischer, H., Harder, H. D., Martinez, M., Sander, R., Williams, J., Brookes, D. M., Monks, P. S., & Lelieveld, J.: Corrigendum to “Oxidation photochemistry in the Southern Atlantic boundary layer: unexpected deviations of photochemical steady state” published in Atmos. Chem. Phys., 11, 8497–8513, 2011, Atmos. Chem. Phys., 11, 8825–8826, doi:10.5194/ACP-11-8825-2011 (2011b).

   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., & 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).

   Klippel, T., Fischer, H., Bozem, H., Lawrence, M. G., Butler, T., Jöckel, P., Tost, H., Martinez, M., Harder, H., Regelin, E., Sander, R., Schiller, C. L., Stickler, A., & Lelieveld, J.: Distribution of hydrogen peroxide and formaldehyde over Central Europe during the HOOVER project, Atmos. Chem. Phys., 11, 4391–4410, doi:10.5194/ACP-11-4391-2011 (2011).

   Kubistin, D., Harder, H., Martinez, M., Rudolf, M., Sander, R., Bozem, H., Eerdekens, G., Fischer, H., Gurk, C., Klüpfel, T., Königstedt, R., Parchatka, U., Schiller, C. L., Stickler, A., Taraborrelli, D., Williams, J., & 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).

   Lawler, M. J., Sander, R., Carpenter, L. J., Lee, J. D., von Glasow, R., Sommariva, R., & Saltzman, E. S.: HOCl and Cl2 observations in marine air, Atmos. Chem. Phys., 11, 7617–7628, doi:10.5194/ACP-11-7617-2011 (2011).

   Mallik, C., Tomsche, L., Bourtsoukidis, E., Crowley, J. N., Derstroff, B., Fischer, H., Hafermann, S., Hüser, I., Javed, U., Keßel, S., Lelieveld, J., Martinez, M., Meusel, H., Novelli, A., Phillips, G. J., Pozzer, A., Reiffs, A., Sander, R., Taraborrelli, D., Sauvage, C., Schuladen, J., Su, H., Williams, J., & Harder, H.: Oxidation processes in the eastern Mediterranean atmosphere: evidence from the modelling of HOx measurements over Cyprus, Atmos. Chem. Phys., 18, 10 825–10 847, doi:10.5194/ACP-18-10825-2018 (2018).

   Morin, S., Sander, R., & Savarino, J.: Simulation of the diurnal variations of the oxygen isotope anomaly (Δ17O) of reactive atmospheric species, Atmos. Chem. Phys., 11, 3653–3671, doi:10.5194/ACP-11-3653-2011 (2011).

   Regelin, E., Harder, H., Martinez, M., Kubistin, D., Tatum Ernest, C., Bozem, H., Klippel, T., Hosaynali-Beygi, Z., Fischer, H., Sander, R., Jöckel, P., Königstedt, R., & Lelieveld, J.: HOx measurements in the summertime upper troposphere over Europe: A comparison of observations to a box model and a 3-D model, Atmos. Chem. Phys., 13, 10 703–10 720, doi:10.5194/ACP-13-10703-2013 (2013).

   Riede, H., Jöckel, P., & 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).

   Rosanka, S., Sander, R., Franco, B., Wespes, C., Wahner, A., & Taraborrelli, D.: Oxidation of low-molecular-weight organic compounds in cloud droplets: global impact on tropospheric oxidants, Atmos. Chem. Phys., 21, 9909–9930, doi:10.5194/ACP-21-9909-2021 (2021a).

   Rosanka, S., Sander, R., Wahner, A., & Taraborrelli, D.: Oxidation of low-molecular-weight organic compounds in cloud droplets: development of the Jülich Aqueous-phase Mechanism of Organic Chemistry (JAMOC) in CAABA/MECCA (version 4.5.0), Geosci. Model Dev., 14, 4103–4115, doi:10.5194/GMD-14-4103-2021 (2021b).

   Rüdiger, J., Gutmann, A., Bobrowski, N., Liotta, M., de Moor, J. M., Sander, R., Dinger, F., Tirpitz, J.-L., Ibarra, M., Saballos, A., Martínez, M., Mendoza, E., Ferrufino, A., Stix, J., Valdés, J., Castro, J. M., & Hoffmann, T.: Halogen activation in the plume of Masaya volcano: field observations and box model investigations, Atmos. Chem. Phys., 21, 3371–3393, doi:10.5194/ACP-21-3371-2021 (2021).

   Sander, R., Kerkweg, A., Jöckel, P., & 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).

   Sander, R., Baumgaertner, A., Gromov, S., Harder, H., Jöckel, P., Kerkweg, A., Kubistin, D., Regelin, E., Riede, H., Sandu, A., Taraborrelli, D., Tost, H., & Xie, Z.-Q.: The atmospheric chemistry box model CAABA/MECCA-3.0, Geosci. Model Dev., 4, 373–380, doi:10.5194/GMD-4-373-2011 (2011).

   Sander, R., Jöckel, P., Kirner, O., Kunert, A. T., Landgraf, J., & Pozzer, A.: The photolysis module JVAL-14, compatible with the MESSy standard, and the JVal PreProcessor (JVPP), Geosci. Model Dev., 7, 2653–2662, doi:10.5194/GMD-7-2653-2014 (2014).

   Sander, R., Baumgaertner, A., Cabrera-Perez, D., Frank, F., Gromov, S., Grooß, J.-U., Harder, H., Huijnen, V., Jöckel, P., Karydis, V. A., Niemeyer, K. E., Pozzer, A., Riede, H., Schultz, M. G., Taraborrelli, D., & Tauer, S.: The community atmospheric chemistry box model CAABA/MECCA-4.0, Geosci. Model Dev., 12, 1365–1385, doi:10.5194/GMD-12-1365-2019 (2019).

   Sandu, A. & 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).

   Soni, M., Sander, R., Sahu, L. K., Taraborelli, D., Liu, P., Patel, A., Girach, I. A., Pozzer, A., Gunthe, S. S., & Ojha, N.: Comprehensive multiphase chlorine chemistry in the box model CAABA/MECCA: Implications to atmospheric oxidative capacity, EGUsphere, doi:10.5194/EGUSPHERE-2023-652 (2023).

   Stickler, A., Fischer, H., Williams, J., de Reus, M., Sander, R., Lawrence, M. G., Crowley, J. N., & 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).

   Stickler, A., Fischer, H., Bozem, H., Gurk, C., Schiller, C., Martinez-Harder, M., Kubistin, D., Harder, H., Williams, J., Eerdekens, G., Yassaa, N., Ganzeveld, L., Sander, R., & Lelieveld, J.: Chemistry, transport and dry deposition of trace gases in the boundary layer over the tropical Atlantic Ocean and the Guyanas during the GABRIEL field campaign, Atmos. Chem. Phys., 7, 3933–3956, doi:10.5194/ACP-7-3933-2007 (2007).

   Taraborrelli, D., Lawrence, M. G., Butler, T. M., Sander, R., & 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).

   Taraborrelli, D., Cabrera-Perez, D., Bacer, S., Gromov, S., Lelieveld, J., Sander, R., & Pozzer, A.: Influence of aromatics on tropospheric gas-phase composition, Atmos. Chem. Phys., 21, 2615–2636, doi:10.5194/ACP-21-2615-2021 (2021).

   Trebs, I., Mayol-Bracero, O. L., Pauliquevis, T., Kuhn, U., Sander, R., Ganzeveld, L., Meixner, F. X., Kesselmeier, J., Artaxo, P., & Andreae, M. O.: Impact of the Manaus urban plume on trace gas mixing ratios near the surface in the Amazon Basin: Implications for the NO-NO2-O3 photostationary state and peroxy radical levels, J. Geophys. Res., 117, D05307, doi:10.1029/2011JD016386 (2012).

   van Eijck, A., Opatz, T., Taraborrelli, D., Sander, R., & Hoffmann, T.: New tracer compounds for secondary organic aerosol formation from β-caryophyllene oxidation, Atmos. Environ., 80, 122–130, doi:10.1016/J.ATMOSENV.2013.07.060 (2013).

   Wieser, F., Sander, R., & Taraborrelli, D.: Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6_rc.1), Geosci. Model Dev. Discuss., pp. 1–24, doi:10.5194/GMD-2023-102 (2023).

   Williams, J., Custer, T., Riede, H., Sander, R., Jöckel, P., Hoor, P., Pozzer, A., Wong-Zehnpfennig, S., Hosaynali Beygi, Z., Fischer, H., Gros, V., Colomb, A., Bonsang, B., Yassaa, N., Peeken, I., Atlas, E. L., Waluda, C. M., van Aardenne, J. A., & Lelieveld, J.: Assessing the effect of marine isoprene and ship emissions on ozone, using modelling and measurements from the South Atlantic Ocean, Environ. Chem., 7, 171–182, doi:10.1071/EN09154 (2010).

   Xie, Z.-Q., Sander, R., Pöschl, U., & 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).

   Zhang, H., Linford, J. C., Sandu, A., & Sander, R.: Chemical mechanism solvers in air quality models, Atmos., 2, 510–532, doi:10.3390/ATMOS2030510 (2011).

This document was last changed: 2023-05-26