Articles | Volume 12, issue 6
https://doi.org/10.5194/gmd-12-2307-2019
https://doi.org/10.5194/gmd-12-2307-2019
Development and technical paper
 | 
14 Jun 2019
Development and technical paper |  | 14 Jun 2019

Chemistry and deposition in the Model of Atmospheric composition at Global and Regional scales using Inversion Techniques for Trace gas Emissions (MAGRITTE v1.1) – Part 1: Chemical mechanism

Jean-François Müller, Trissevgeni Stavrakou, and Jozef Peeters

Related authors

Constraining the budget of NOx and volatile organic compounds at a remote tropical island using multi-platform observations and WRF-Chem model simulations
Catalina Poraicu, Jean-François Müller, Trissevgeni Stavrakou, Crist Amelynck, Bert W. D. Verreyken, Niels Schoon, Corinne Vigouroux, Nicolas Kumps, Jérôme Brioude, Pierre Tulet, and Camille Mouchel-Vallon
Atmos. Chem. Phys., 25, 6903–6941, https://doi.org/10.5194/acp-25-6903-2025,https://doi.org/10.5194/acp-25-6903-2025, 2025
Short summary
Natural emissions of VOC and NOx over Africa constrained by TROPOMI HCHO and NO2 data using the MAGRITTEv1.1 model
Beata Opacka, Trissevgeni Stavrakou, Jean-François Müller, Isabelle De Smedt, Jos van Geffen, Eloise A. Marais, Rebekah P. Horner, Dylan B. Millet, Kelly C. Wells, and Alex B. Guenther
Atmos. Chem. Phys., 25, 2863–2894, https://doi.org/10.5194/acp-25-2863-2025,https://doi.org/10.5194/acp-25-2863-2025, 2025
Short summary
Weekly derived top-down volatile-organic-compound fluxes over Europe from TROPOMI HCHO data from 2018 to 2021
Glenn-Michael Oomen, Jean-François Müller, Trissevgeni Stavrakou, Isabelle De Smedt, Thomas Blumenstock, Rigel Kivi, Maria Makarova, Mathias Palm, Amelie Röhling, Yao Té, Corinne Vigouroux, Martina M. Friedrich, Udo Frieß, François Hendrick, Alexis Merlaud, Ankie Piters, Andreas Richter, Michel Van Roozendael, and Thomas Wagner
Atmos. Chem. Phys., 24, 449–474, https://doi.org/10.5194/acp-24-449-2024,https://doi.org/10.5194/acp-24-449-2024, 2024
Short summary
Ground-based Multi-AXis Differential Optical Absorption Spectroscopy (MAX-DOAS) observations of NO2 and H2CO at Kinshasa and comparisons with TROPOMI observations
Rodriguez Yombo Phaka, Alexis Merlaud, Gaia Pinardi, Martina M. Friedrich, Michel Van Roozendael, Jean-François Müller, Trissevgeni Stavrakou, Isabelle De Smedt, François Hendrick, Ermioni Dimitropoulou, Richard Bopili Mbotia Lepiba, Edmond Phuku Phuati, Buenimio Lomami Djibi, Lars Jacobs, Caroline Fayt, Jean-Pierre Mbungu Tsumbu, and Emmanuel Mahieu
Atmos. Meas. Tech., 16, 5029–5050, https://doi.org/10.5194/amt-16-5029-2023,https://doi.org/10.5194/amt-16-5029-2023, 2023
Short summary
Cross-evaluating WRF-Chem v4.1.2, TROPOMI, APEX, and in situ NO2 measurements over Antwerp, Belgium
Catalina Poraicu, Jean-François Müller, Trissevgeni Stavrakou, Dominique Fonteyn, Frederik Tack, Felix Deutsch, Quentin Laffineur, Roeland Van Malderen, and Nele Veldeman
Geosci. Model Dev., 16, 479–508, https://doi.org/10.5194/gmd-16-479-2023,https://doi.org/10.5194/gmd-16-479-2023, 2023
Short summary

Related subject area

Atmospheric sciences
Impact of multiple radar wind profiler data assimilation on convective-scale short-term rainfall forecasts: OSSE studies over the Beijing–Tianjin–Hebei region
Juan Zhao, Jianping Guo, and Xiaohui Zheng
Geosci. Model Dev., 18, 4075–4101, https://doi.org/10.5194/gmd-18-4075-2025,https://doi.org/10.5194/gmd-18-4075-2025, 2025
Short summary
New submodel for emissions from Explosive Volcanic ERuptions (EVER v1.1) within the Modular Earth Submodel System (MESSy, version 2.55.1)
Matthias Kohl, Christoph Brühl, Jennifer Schallock, Holger Tost, Patrick Jöckel, Adrian Jost, Steffen Beirle, Michael Höpfner, and Andrea Pozzer
Geosci. Model Dev., 18, 3985–4007, https://doi.org/10.5194/gmd-18-3985-2025,https://doi.org/10.5194/gmd-18-3985-2025, 2025
Short summary
Quantifying the oscillatory evolution of simulated boundary-layer cloud fields using Gaussian process regression
Gunho Loren Oh and Philip H. Austin
Geosci. Model Dev., 18, 3921–3940, https://doi.org/10.5194/gmd-18-3921-2025,https://doi.org/10.5194/gmd-18-3921-2025, 2025
Short summary
Numerical investigations on the modelling of ultrafine particles in SSH-aerosol-v1.3a: size resolution and redistribution
Oscar Jacquot and Karine Sartelet
Geosci. Model Dev., 18, 3965–3984, https://doi.org/10.5194/gmd-18-3965-2025,https://doi.org/10.5194/gmd-18-3965-2025, 2025
Short summary
The third Met Office Unified Model–JULES Regional Atmosphere and Land Configuration, RAL3
Mike Bush, David L. A. Flack, Huw W. Lewis, Sylvia I. Bohnenstengel, Chris J. Short, Charmaine Franklin, Adrian P. Lock, Martin Best, Paul Field, Anne McCabe, Kwinten Van Weverberg, Segolene Berthou, Ian Boutle, Jennifer K. Brooke, Seb Cole, Shaun Cooper, Gareth Dow, John Edwards, Anke Finnenkoetter, Kalli Furtado, Kate Halladay, Kirsty Hanley, Margaret A. Hendry, Adrian Hill, Aravindakshan Jayakumar, Richard W. Jones, Humphrey Lean, Joshua C. K. Lee, Andy Malcolm, Marion Mittermaier, Saji Mohandas, Stuart Moore, Cyril Morcrette, Rachel North, Aurore Porson, Susan Rennie, Nigel Roberts, Belinda Roux, Claudio Sanchez, Chun-Hsu Su, Simon Tucker, Simon Vosper, David Walters, James Warner, Stuart Webster, Mark Weeks, Jonathan Wilkinson, Michael Whitall, Keith D. Williams, and Hugh Zhang
Geosci. Model Dev., 18, 3819–3855, https://doi.org/10.5194/gmd-18-3819-2025,https://doi.org/10.5194/gmd-18-3819-2025, 2025
Short summary

Cited articles

Allen, H. M., Crounse, J. D., Bates, K. H., Teng, A. P., Krawiec-Thayer, M. P., Rivera-Rios, J. C., Keutsch, F. N., St. Clair, J. M., Hanisco, T. F., Moller, K. H., Kjaergaard, H. G., and Wennberg, P. O.: Kinetics and product yields of the OH initiated oxidation of hydroxymethyl hydroperoxide, J. Phys. Chem. A, 122, 6292–6302, 2018. a, b, c, d
Anderson, D. C., Loughner, C. P., Diskin, G., Weinheimer, A., Canty, T. P., Salawitch, R. J., Worden, H. M., Fried, A., Mikoviny, T., Wisthaler, A., and Dickerson, R. R.: Measured and modeled CO and NOy in DISCOVER-AQ: An evaluation of emissions and chemistry over the eastern US, Atmos. Environ., 96, 78–87, 2014. a
Andrews, D., Heazlewood, B. R., Maccarone, A. T., Conroy, T., Payne, R. J., Jordan, M. J. T., and Kable, S. H.: Photo-tautomerization of acetaldehyde to vinyl alcohol: A potential route to tropospheric acids, Science, 337, 1203–1208, 2012. a
Archibald, A., R., M. M., Taatjes, C. A., Percival, C. J., and Shallcross, D. E.: Atmospheric transformation of enols: A potential secondary source of carboxylic acids in the urban troposphere, Geophys. Res. Lett., 34, L21801, https://doi.org/10.1029/2007GL031032, 2007. a
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, 2001. a
Download
Short summary
A new oxidation mechanism for biogenic volatile organic compounds is presented and implemented in the large-scale chemistry transport model MAGRITTE. The mechanism accounts for all major recent advances regarding isoprene oxidation. Evaluation against airborne measurements over the US demonstrates a good overall agreement. The mechanism incorporates newly-proposed pathways for formic and acetic acid formation, representing ~ 20 % of their global identified source.
Share