Preprints
https://doi.org/10.5194/gmd-2020-337
https://doi.org/10.5194/gmd-2020-337

Submitted as: development and technical paper 29 Oct 2020

Submitted as: development and technical paper | 29 Oct 2020

Review status: this preprint is currently under review for the journal GMD.

Oxidation of low-molecular weight organic compounds in cloud droplets: development of the JAMOC chemical mechanism in CAABA/MECCA (version 4.5.0gmdd)

Simon Rosanka1, Rolf Sander2, Andreas Wahner1, and Domenico Taraborrelli1 Simon Rosanka et al.
  • 1Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research, IEK-8: Troposphere, Jülich, Germany
  • 2Atmospheric Chemistry Department, Max-Planck Institute of Chemistry, Mainz, Germany

Abstract. The Jülich Aqueous-phase Mechanism of Organic Chemistry (JAMOC) is developed and implemented in the Module Efficiently Calculating the Chemistry of the Atmosphere (MECCA, version 4.5.0gmdd1). JAMOC is an explicit in-cloud oxidation scheme for oxygenated volatile organic compounds (OVOCs), suitable for global model applications. It is based on a subset of the comprehensive CLoud Explicit Physico-chemical Scheme (CLEPS, version 1.0). The phase transfer of species containing up to ten carbon atoms is included, and a selection of species containing up to four carbon atoms reacts in the aqueous-phase. In addition, the following main advances are implemented: (1) simulating hydration and dehydration explicitly, (2) taking oligomerisation of formaldehyde, glyoxal and methylglyoxal into account, (3) adding further photolysis reactions, and (4) considering gas-phase oxidation of new outgassed species. The implementation of JAMOC in MECCA makes a detailed in-cloud OVOC oxidation model readily available for box as well as for regional and global simulations that are affordable with modern supercomputing facilities. The new mechanism is tested inside the box-model Chemistry As A Boxmodel Application (CAABA), yielding reduced gas-phase concentrations of most oxidants and OVOCs except for the nitrogen oxides.

1 The name of this version indicates that it is used for the interactive discussion in GMDD. If necessary, bug fixes can still be made. We plan to release the final version CAABA/MECCA-4.5.0 together with the final paper in GMD.

Simon Rosanka et al.

 
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Simon Rosanka et al.

Simon Rosanka et al.

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The Jülich Aqueous-phase Mechanism of Organic Chemistry (JAMOC) is developed and implemented into the Module Efficiently Calculating the Chemistry of the Atmosphere (MECCA). JAMOC is an explicit in-cloud oxidation scheme for oxygenated volatile organic compounds (OVOCs), which is suitable for global model applications. Within in a box-model study, we show that JAMOC yields reduced gas-phase concentrations of most OVOCs and oxidants, except for nitrogen oxides.