Journal cover Journal topic
Geoscientific Model Development An interactive open-access journal of the European Geosciences Union
Geosci. Model Dev., 10, 1339-1362, 2017
https://doi.org/10.5194/gmd-10-1339-2017
© Author(s) 2017. This work is distributed under
the Creative Commons Attribution 3.0 License.
Model description paper
29 Mar 2017
CLEPS 1.0: A new protocol for cloud aqueous phase oxidation of VOC mechanisms
Camille Mouchel-Vallon1,a, Laurent Deguillaume1, Anne Monod2, Hélène Perroux1, Clémence Rose1, Giovanni Ghigo3, Yoann Long1,b, Maud Leriche4, Bernard Aumont5, Luc Patryl6, Patrick Armand6, and Nadine Chaumerliac1 1Université Clermont Auvergne, CNRS Laboratoire de Météorologie Physique, 63000 Clermont-Ferrand, France
2Aix Marseille Université, CNRS, LCE UMR 7376, 13331 Marseille, France
3Dipartimento di Chimica, Universita di Torino, V. Giuria 7, 10125 Turin, Italy
4Université de Toulouse, UPS, CNRS, Laboratoire d'Aérologie, 31400 Toulouse, France
5LISA UMR CNRS 7583, Université Paris Est Créteil et Université Paris Diderot, Paris, France
6CEA, DAM, DIF, 91297 Arpajon, France
anow at: Wolfson Atmospheric Chemistry Laboratories, Department of Chemistry, University of York, Heslington, York, YO10 5DD, UK
bnow at: Ramboll Environ, 155 rue Louis de Broglie, 13100 Aix-en-Provence, France
Abstract. A new detailed aqueous phase mechanism named the Cloud Explicit Physico-chemical Scheme (CLEPS 1.0) is proposed to describe the oxidation of water soluble organic compounds resulting from isoprene oxidation. It is based on structure activity relationships (SARs) which provide global rate constants together with branching ratios for HO abstraction and addition on atmospheric organic compounds. The GROMHE SAR allows the evaluation of Henry's law constants for undocumented organic compounds. This new aqueous phase mechanism is coupled with the MCM v3.3.1 gas phase mechanism through a mass transfer scheme between gas phase and aqueous phase. The resulting multiphase mechanism has then been implemented in a model based on the Dynamically Simple Model for Atmospheric Chemical Complexity (DSMACC) using the Kinetic PreProcessor (KPP) that can serve to analyze data from cloud chamber experiments and field campaigns.

The simulation of permanent cloud under low-NOx conditions describes the formation of oxidized monoacids and diacids in the aqueous phase as well as a significant influence on the gas phase chemistry and composition and shows that the aqueous phase reactivity leads to an efficient fragmentation and functionalization of organic compounds.


Citation: Mouchel-Vallon, C., Deguillaume, L., Monod, A., Perroux, H., Rose, C., Ghigo, G., Long, Y., Leriche, M., Aumont, B., Patryl, L., Armand, P., and Chaumerliac, N.: CLEPS 1.0: A new protocol for cloud aqueous phase oxidation of VOC mechanisms, Geosci. Model Dev., 10, 1339-1362, https://doi.org/10.5194/gmd-10-1339-2017, 2017.
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The Cloud Explicit Physico-chemical Scheme (CLEPS 1.0) describes oxidation of water-soluble organic compounds resulting from isoprene oxidation. It is based on structure activity relationships (SARs) (global rate constants and branching ratios for HO• abstraction and addition) and GROMHE SAR (Henry's law constants for undocumented species). It is coupled to the MCM gas phase mechanism and is included in a model using the DSMACC model and KPP to analyze experimental and field data.
The Cloud Explicit Physico-chemical Scheme (CLEPS 1.0) describes oxidation of water-soluble...
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