SrasV1, France, Analysis, bibRecord, 000087

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

Identifieur interne : 000087 ( France/Analysis ); précédent : 000086; suivant : 000088

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

Auteurs : Camille Mouchel-Vallon [France] ; Laurent Deguillaume [France] ; Anne Monod [France] ; Hélène Perroux [France] ; Clémence Rose [France] ; Giovanni Ghigo [Italie] ; Yoann Long [France] ; Maud Leriche [France] ; Bernard Aumont [France] ; Luc Patryl [France] ; Patrick Armand [France] ; Nadine Chaumerliac [France]

Source :

Geoscientific Model Development [ 1991-959X ] ; 2017.

RBID : Hal:hal-01783978

Descripteurs français

Wicri :
- topic : Eau.

English descriptors

mix :
- Cloud Explicit Physico-chemical Scheme (CLEPS 1.0), GROMHE SAR, Isoprene oxidation, Monoacids, Oxidation, Water.

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.

Url:

https://hal-amu.archives-ouvertes.fr/hal-01783978

DOI: 10.5194/gmd-10-1339-2017

Affiliations:

Links toward previous steps (curation, corpus...)

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to stream Hal, to step Checkpoint: 000062
to stream Main, to step Merge: 000D37
to stream Main, to step Curation: 000D35
to stream Main, to step Exploration: 000D35
to stream France, to step Extraction: 000087

Links to Exploration step

Hal:hal-01783978

Le document en format XML

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<tutelle name="UMR6016" active="#struct-441569" type="direct"><org type="institution" xml:id="struct-441569" status="VALID">          <idno type="IdRef">02636817X</idno>
          <idno type="ISNI">0000000122597504</idno>
          <orgName>Centre National de la Recherche Scientifique</orgName>
          <orgName type="acronym">CNRS</orgName>
          <date type="start">1939-10-19</date>
          <desc>            <address>              <country key="FR"></country>
            </address>
            <ref type="url">http://www.cnrs.fr/</ref>
          </desc>
        </org>
</tutelle>
</tutelles>
</hal:affiliation>
<country>France</country>
</affiliation>
</author>
</analytic>
<idno type="DOI">10.5194/gmd-10-1339-2017</idno>
<series><title level="j">Geoscientific Model Development</title>
<idno type="ISSN">1991-959X</idno>
<imprint><date type="datePub">2017</date>
</imprint>
</series>
</biblStruct>
</sourceDesc>
</fileDesc>
<profileDesc><textClass><keywords scheme="mix" xml:lang="en"><term>Cloud Explicit Physico-chemical Scheme (CLEPS 1.0)</term>
<term>GROMHE SAR</term>
<term>Isoprene oxidation</term>
<term>Monoacids</term>
<term>Oxidation</term>
<term>Water</term>
</keywords>
<keywords scheme="Wicri" type="topic" xml:lang="fr"><term>Eau</term>
</keywords>
</textClass>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en">              <p>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.</p>
            </div>
</front>
</TEI>
<affiliations><list><country><li>France</li>
<li>Italie</li>
</country>
<region><li>Provence-Alpes-Côte d'Azur</li>
</region>
<settlement><li>Marseille</li>
</settlement>
<orgName><li>Université d'Aix-Marseille</li>
</orgName>
</list>
<tree><country name="France"><noRegion><name sortKey="Mouchel Vallon, Camille" sort="Mouchel Vallon, Camille" uniqKey="Mouchel Vallon C" first="Camille" last="Mouchel-Vallon">Camille Mouchel-Vallon</name>
</noRegion>
<name sortKey="Armand, Patrick" sort="Armand, Patrick" uniqKey="Armand P" first="Patrick" last="Armand">Patrick Armand</name>
<name sortKey="Aumont, Bernard" sort="Aumont, Bernard" uniqKey="Aumont B" first="Bernard" last="Aumont">Bernard Aumont</name>
<name sortKey="Chaumerliac, Nadine" sort="Chaumerliac, Nadine" uniqKey="Chaumerliac N" first="Nadine" last="Chaumerliac">Nadine Chaumerliac</name>
<name sortKey="Deguillaume, Laurent" sort="Deguillaume, Laurent" uniqKey="Deguillaume L" first="Laurent" last="Deguillaume">Laurent Deguillaume</name>
<name sortKey="Leriche, Maud" sort="Leriche, Maud" uniqKey="Leriche M" first="Maud" last="Leriche">Maud Leriche</name>
<name sortKey="Long, Yoann" sort="Long, Yoann" uniqKey="Long Y" first="Yoann" last="Long">Yoann Long</name>
<name sortKey="Monod, Anne" sort="Monod, Anne" uniqKey="Monod A" first="Anne" last="Monod">Anne Monod</name>
<name sortKey="Patryl, Luc" sort="Patryl, Luc" uniqKey="Patryl L" first="Luc" last="Patryl">Luc Patryl</name>
<name sortKey="Perroux, Helene" sort="Perroux, Helene" uniqKey="Perroux H" first="Hélène" last="Perroux">Hélène Perroux</name>
<name sortKey="Rose, Clemence" sort="Rose, Clemence" uniqKey="Rose C" first="Clémence" last="Rose">Clémence Rose</name>
</country>
<country name="Italie"><noRegion><name sortKey="Ghigo, Giovanni" sort="Ghigo, Giovanni" uniqKey="Ghigo G" first="Giovanni" last="Ghigo">Giovanni Ghigo</name>
</noRegion>
</country>
</tree>
</affiliations>
</record>

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

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

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