CLEPS 1.0: A new protocol for cloud aqueous phase oxidation of VOC mechanisms

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-NO x 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.
Document type :
Journal articles
Complete list of metadatas

Cited literature [123 references]  Display  Hide  Download

https://hal-amu.archives-ouvertes.fr/hal-01783978
Contributor : Anne Monod <>
Submitted on : Wednesday, May 2, 2018 - 7:58:02 PM
Last modification on : Friday, April 12, 2019 - 4:22:44 PM
Long-term archiving on : Tuesday, September 25, 2018 - 8:22:43 AM

File

2017 Mouchel-Vallon CLEPS 1.0 ...
Publisher files allowed on an open archive

Identifiers

Collections

Citation

Camille Mouchel-Vallon, Laurent Deguillaume, Anne Monod, Hélène Perroux, Clémence Rose, et al.. CLEPS 1.0: A new protocol for cloud aqueous phase oxidation of VOC mechanisms. Geoscientific Model Development Discussions, Copernicus Publ, 2017, 10 (3), pp.1339 - 1362. ⟨10.5194/gmd-10-1339-2017⟩. ⟨hal-01783978v1⟩

Share

Metrics

Record views

401

Files downloads

46