NO2-promoted oxidation of methane to formaldehyde at very short residence time - Part II: Kinetic modeling
Identifieur interne : 000819 ( Main/Exploration ); précédent : 000818; suivant : 000820NO2-promoted oxidation of methane to formaldehyde at very short residence time - Part II: Kinetic modeling
Auteurs : J. Zhang [France] ; V. Burklé-Vitzthum [France] ; P. M. Marquaire [France]Source :
- Chemical Engineering Journal [ 1385-8947 ] ; 2012.
English descriptors
Abstract
Partial oxidation of methane in the presence of NO2 at short residence time (20-80 ms) provides a promising route to yield formaldehyde. In this paper, an approach for modeling the kinetics of the complex reaction system CH4/O2/NO2 is presented. A detailed kinetic model is proposed, which is based on the previous mechanism of Zalc et al. (2006) [34] in which some changes were made, including the correction of several rate constants, the addition of two reactions involving HONO and the updating of the thermodynamic data for CH3NO2 and HONO. The final kinetic model is compared with our experimental results in terms of CH4 conversion as well as product concentrations. The simulation results are in good agreementwith the experiments for various temperatures, residence times, XO2/XCH4 ratios and initial NO2 concentrations. The proposed kinetic model is also tested against the previously published experimental data for the oxidation of methane in the presence of NOx (x = 1 or 2). The overall good agreement further confirms the reliability of the kinetic model.
Url:
DOI: 10.1016/j.cej.2012.05.013
Affiliations:
Links toward previous steps (curation, corpus...)
- to stream Hal, to step Corpus: 000803
- to stream Hal, to step Curation: 000803
- to stream Hal, to step Checkpoint: 000794
- to stream Main, to step Merge: 000883
- to stream Main, to step Curation: 000819
Le document en format XML
<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">NO2-promoted oxidation of methane to formaldehyde at very short residence time - Part II: Kinetic modeling</title><author><name sortKey="Zhang, J" sort="Zhang, J" uniqKey="Zhang J" first="J." last="Zhang">J. Zhang</name><affiliation wicri:level="1"><hal:affiliation type="laboratory" xml:id="struct-211875" status="VALID"><idno type="IdRef">153068876</idno><idno type="RNSR">201320573K</idno><idno type="IdUnivLorraine">[UL]RQC--</idno><orgName>Laboratoire Réactions et Génie des Procédés</orgName><orgName type="acronym">LRGP</orgName><date type="start">2013-01-01</date><desc><address><addrLine>Université de Lorraine - ENSIC, 1 rue de Grandville BP 20451, 54001 Nancy Cedex</addrLine><country key="FR"></country></address><ref type="url">http://lrgp.univ-lorraine.fr/</ref></desc><listRelation><relation active="#struct-413289" type="direct"></relation><relation name="UMR7274" active="#struct-441569" type="direct"></relation></listRelation><tutelles><tutelle active="#struct-413289" type="direct"><org type="institution" xml:id="struct-413289" status="VALID"><idno type="IdRef">157040569</idno><idno type="IdUnivLorraine">[UL]100--</idno><orgName>Université de Lorraine</orgName><orgName type="acronym">UL</orgName><date type="start">2012-01-01</date><desc><address><addrLine>34 cours Léopold - CS 25233 - 54052 Nancy cedex</addrLine><country key="FR"></country></address><ref type="url">http://www.univ-lorraine.fr/</ref></desc></org></tutelle><tutelle name="UMR7274" active="#struct-441569" type="direct"><org type="institution" xml:id="struct-441569" status="VALID"><idno type="ISNI">0000000122597504</idno><idno type="IdRef">02636817X</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><placeName><settlement type="city">Nancy</settlement><settlement type="city">Metz</settlement><region type="region" nuts="2">Grand Est</region><region type="old region" nuts="2">Lorraine (région)</region></placeName><orgName type="university">Université de Lorraine</orgName></affiliation></author><author><name sortKey="Burkle Vitzthum, V" sort="Burkle Vitzthum, V" uniqKey="Burkle Vitzthum V" first="V." last="Burklé-Vitzthum">V. Burklé-Vitzthum</name><affiliation wicri:level="1"><hal:affiliation type="laboratory" xml:id="struct-211875" status="VALID"><idno type="IdRef">153068876</idno><idno type="RNSR">201320573K</idno><idno type="IdUnivLorraine">[UL]RQC--</idno><orgName>Laboratoire Réactions et Génie des Procédés</orgName><orgName type="acronym">LRGP</orgName><date type="start">2013-01-01</date><desc><address><addrLine>Université de Lorraine - ENSIC, 1 rue de Grandville BP 20451, 54001 Nancy Cedex</addrLine><country key="FR"></country></address><ref type="url">http://lrgp.univ-lorraine.fr/</ref></desc><listRelation><relation active="#struct-413289" type="direct"></relation><relation name="UMR7274" active="#struct-441569" type="direct"></relation></listRelation><tutelles><tutelle active="#struct-413289" type="direct"><org type="institution" xml:id="struct-413289" status="VALID"><idno type="IdRef">157040569</idno><idno type="IdUnivLorraine">[UL]100--</idno><orgName>Université de Lorraine</orgName><orgName type="acronym">UL</orgName><date type="start">2012-01-01</date><desc><address><addrLine>34 cours Léopold - CS 25233 - 54052 Nancy cedex</addrLine><country key="FR"></country></address><ref type="url">http://www.univ-lorraine.fr/</ref></desc></org></tutelle><tutelle name="UMR7274" active="#struct-441569" type="direct"><org type="institution" xml:id="struct-441569" status="VALID"><idno type="ISNI">0000000122597504</idno><idno type="IdRef">02636817X</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><placeName><settlement type="city">Nancy</settlement><settlement type="city">Metz</settlement><region type="region" nuts="2">Grand Est</region><region type="old region" nuts="2">Lorraine (région)</region></placeName><orgName type="university">Université de Lorraine</orgName></affiliation></author><author><name sortKey="Marquaire, P M" sort="Marquaire, P M" uniqKey="Marquaire P" first="P. M." last="Marquaire">P. M. Marquaire</name><affiliation wicri:level="1"><hal:affiliation type="laboratory" xml:id="struct-211875" status="VALID"><idno type="IdRef">153068876</idno><idno type="RNSR">201320573K</idno><idno type="IdUnivLorraine">[UL]RQC--</idno><orgName>Laboratoire Réactions et Génie des Procédés</orgName><orgName type="acronym">LRGP</orgName><date type="start">2013-01-01</date><desc><address><addrLine>Université de Lorraine - ENSIC, 1 rue de Grandville BP 20451, 54001 Nancy Cedex</addrLine><country key="FR"></country></address><ref type="url">http://lrgp.univ-lorraine.fr/</ref></desc><listRelation><relation active="#struct-413289" type="direct"></relation><relation name="UMR7274" active="#struct-441569" type="direct"></relation></listRelation><tutelles><tutelle active="#struct-413289" type="direct"><org type="institution" xml:id="struct-413289" status="VALID"><idno type="IdRef">157040569</idno><idno type="IdUnivLorraine">[UL]100--</idno><orgName>Université de Lorraine</orgName><orgName type="acronym">UL</orgName><date type="start">2012-01-01</date><desc><address><addrLine>34 cours Léopold - CS 25233 - 54052 Nancy cedex</addrLine><country key="FR"></country></address><ref type="url">http://www.univ-lorraine.fr/</ref></desc></org></tutelle><tutelle name="UMR7274" active="#struct-441569" type="direct"><org type="institution" xml:id="struct-441569" status="VALID"><idno type="ISNI">0000000122597504</idno><idno type="IdRef">02636817X</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><placeName><settlement type="city">Nancy</settlement><settlement type="city">Metz</settlement><region type="region" nuts="2">Grand Est</region><region type="old region" nuts="2">Lorraine (région)</region></placeName><orgName type="university">Université de Lorraine</orgName></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">HAL</idno><idno type="RBID">Hal:hal-00706613</idno><idno type="halId">hal-00706613</idno><idno type="halUri">https://hal.archives-ouvertes.fr/hal-00706613</idno><idno type="url">https://hal.archives-ouvertes.fr/hal-00706613</idno><idno type="doi">10.1016/j.cej.2012.05.013</idno><date when="2012">2012</date><idno type="wicri:Area/Hal/Corpus">000803</idno><idno type="wicri:Area/Hal/Curation">000803</idno><idno type="wicri:Area/Hal/Checkpoint">000794</idno><idno type="wicri:explorRef" wicri:stream="Hal" wicri:step="Checkpoint">000794</idno><idno type="wicri:doubleKey">1385-8947:2012:Zhang J:no:promoted:oxidation</idno><idno type="wicri:Area/Main/Merge">000883</idno><idno type="wicri:Area/Main/Curation">000819</idno><idno type="wicri:Area/Main/Exploration">000819</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en">NO2-promoted oxidation of methane to formaldehyde at very short residence time - Part II: Kinetic modeling</title><author><name sortKey="Zhang, J" sort="Zhang, J" uniqKey="Zhang J" first="J." last="Zhang">J. Zhang</name><affiliation wicri:level="1"><hal:affiliation type="laboratory" xml:id="struct-211875" status="VALID"><idno type="IdRef">153068876</idno><idno type="RNSR">201320573K</idno><idno type="IdUnivLorraine">[UL]RQC--</idno><orgName>Laboratoire Réactions et Génie des Procédés</orgName><orgName type="acronym">LRGP</orgName><date type="start">2013-01-01</date><desc><address><addrLine>Université de Lorraine - ENSIC, 1 rue de Grandville BP 20451, 54001 Nancy Cedex</addrLine><country key="FR"></country></address><ref type="url">http://lrgp.univ-lorraine.fr/</ref></desc><listRelation><relation active="#struct-413289" type="direct"></relation><relation name="UMR7274" active="#struct-441569" type="direct"></relation></listRelation><tutelles><tutelle active="#struct-413289" type="direct"><org type="institution" xml:id="struct-413289" status="VALID"><idno type="IdRef">157040569</idno><idno type="IdUnivLorraine">[UL]100--</idno><orgName>Université de Lorraine</orgName><orgName type="acronym">UL</orgName><date type="start">2012-01-01</date><desc><address><addrLine>34 cours Léopold - CS 25233 - 54052 Nancy cedex</addrLine><country key="FR"></country></address><ref type="url">http://www.univ-lorraine.fr/</ref></desc></org></tutelle><tutelle name="UMR7274" active="#struct-441569" type="direct"><org type="institution" xml:id="struct-441569" status="VALID"><idno type="ISNI">0000000122597504</idno><idno type="IdRef">02636817X</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><placeName><settlement type="city">Nancy</settlement><settlement type="city">Metz</settlement><region type="region" nuts="2">Grand Est</region><region type="old region" nuts="2">Lorraine (région)</region></placeName><orgName type="university">Université de Lorraine</orgName></affiliation></author><author><name sortKey="Burkle Vitzthum, V" sort="Burkle Vitzthum, V" uniqKey="Burkle Vitzthum V" first="V." last="Burklé-Vitzthum">V. Burklé-Vitzthum</name><affiliation wicri:level="1"><hal:affiliation type="laboratory" xml:id="struct-211875" status="VALID"><idno type="IdRef">153068876</idno><idno type="RNSR">201320573K</idno><idno type="IdUnivLorraine">[UL]RQC--</idno><orgName>Laboratoire Réactions et Génie des Procédés</orgName><orgName type="acronym">LRGP</orgName><date type="start">2013-01-01</date><desc><address><addrLine>Université de Lorraine - ENSIC, 1 rue de Grandville BP 20451, 54001 Nancy Cedex</addrLine><country key="FR"></country></address><ref type="url">http://lrgp.univ-lorraine.fr/</ref></desc><listRelation><relation active="#struct-413289" type="direct"></relation><relation name="UMR7274" active="#struct-441569" type="direct"></relation></listRelation><tutelles><tutelle active="#struct-413289" type="direct"><org type="institution" xml:id="struct-413289" status="VALID"><idno type="IdRef">157040569</idno><idno type="IdUnivLorraine">[UL]100--</idno><orgName>Université de Lorraine</orgName><orgName type="acronym">UL</orgName><date type="start">2012-01-01</date><desc><address><addrLine>34 cours Léopold - CS 25233 - 54052 Nancy cedex</addrLine><country key="FR"></country></address><ref type="url">http://www.univ-lorraine.fr/</ref></desc></org></tutelle><tutelle name="UMR7274" active="#struct-441569" type="direct"><org type="institution" xml:id="struct-441569" status="VALID"><idno type="ISNI">0000000122597504</idno><idno type="IdRef">02636817X</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><placeName><settlement type="city">Nancy</settlement><settlement type="city">Metz</settlement><region type="region" nuts="2">Grand Est</region><region type="old region" nuts="2">Lorraine (région)</region></placeName><orgName type="university">Université de Lorraine</orgName></affiliation></author><author><name sortKey="Marquaire, P M" sort="Marquaire, P M" uniqKey="Marquaire P" first="P. M." last="Marquaire">P. M. Marquaire</name><affiliation wicri:level="1"><hal:affiliation type="laboratory" xml:id="struct-211875" status="VALID"><idno type="IdRef">153068876</idno><idno type="RNSR">201320573K</idno><idno type="IdUnivLorraine">[UL]RQC--</idno><orgName>Laboratoire Réactions et Génie des Procédés</orgName><orgName type="acronym">LRGP</orgName><date type="start">2013-01-01</date><desc><address><addrLine>Université de Lorraine - ENSIC, 1 rue de Grandville BP 20451, 54001 Nancy Cedex</addrLine><country key="FR"></country></address><ref type="url">http://lrgp.univ-lorraine.fr/</ref></desc><listRelation><relation active="#struct-413289" type="direct"></relation><relation name="UMR7274" active="#struct-441569" type="direct"></relation></listRelation><tutelles><tutelle active="#struct-413289" type="direct"><org type="institution" xml:id="struct-413289" status="VALID"><idno type="IdRef">157040569</idno><idno type="IdUnivLorraine">[UL]100--</idno><orgName>Université de Lorraine</orgName><orgName type="acronym">UL</orgName><date type="start">2012-01-01</date><desc><address><addrLine>34 cours Léopold - CS 25233 - 54052 Nancy cedex</addrLine><country key="FR"></country></address><ref type="url">http://www.univ-lorraine.fr/</ref></desc></org></tutelle><tutelle name="UMR7274" active="#struct-441569" type="direct"><org type="institution" xml:id="struct-441569" status="VALID"><idno type="ISNI">0000000122597504</idno><idno type="IdRef">02636817X</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><placeName><settlement type="city">Nancy</settlement><settlement type="city">Metz</settlement><region type="region" nuts="2">Grand Est</region><region type="old region" nuts="2">Lorraine (région)</region></placeName><orgName type="university">Université de Lorraine</orgName></affiliation></author></analytic><idno type="DOI">10.1016/j.cej.2012.05.013</idno><series><title level="j">Chemical Engineering Journal</title><idno type="ISSN">1385-8947</idno><imprint><date type="datePub">2012</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass><keywords scheme="mix" xml:lang="en"><term>NO2 Gas phase methane oxidation Formaldehyde Annular flow microreactor Short residence time Kinetic modeling</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">Partial oxidation of methane in the presence of NO2 at short residence time (20-80 ms) provides a promising route to yield formaldehyde. In this paper, an approach for modeling the kinetics of the complex reaction system CH4/O2/NO2 is presented. A detailed kinetic model is proposed, which is based on the previous mechanism of Zalc et al. (2006) [34] in which some changes were made, including the correction of several rate constants, the addition of two reactions involving HONO and the updating of the thermodynamic data for CH3NO2 and HONO. The final kinetic model is compared with our experimental results in terms of CH4 conversion as well as product concentrations. The simulation results are in good agreementwith the experiments for various temperatures, residence times, XO2/XCH4 ratios and initial NO2 concentrations. The proposed kinetic model is also tested against the previously published experimental data for the oxidation of methane in the presence of NOx (x = 1 or 2). The overall good agreement further confirms the reliability of the kinetic model.</div></front></TEI><affiliations><list><country><li>France</li></country><region><li>Grand Est</li><li>Lorraine (région)</li></region><settlement><li>Metz</li><li>Nancy</li></settlement><orgName><li>Université de Lorraine</li></orgName></list><tree><country name="France"><region name="Grand Est"><name sortKey="Zhang, J" sort="Zhang, J" uniqKey="Zhang J" first="J." last="Zhang">J. Zhang</name></region><name sortKey="Burkle Vitzthum, V" sort="Burkle Vitzthum, V" uniqKey="Burkle Vitzthum V" first="V." last="Burklé-Vitzthum">V. Burklé-Vitzthum</name><name sortKey="Marquaire, P M" sort="Marquaire, P M" uniqKey="Marquaire P" first="P. M." last="Marquaire">P. M. Marquaire</name></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
EXPLOR_STEP=$WICRI_ROOT/Wicri/Lorraine/explor/LrgpV1/Data/Main/Exploration
HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 000819 | SxmlIndent | more
Ou
HfdSelect -h $EXPLOR_AREA/Data/Main/Exploration/biblio.hfd -nk 000819 | SxmlIndent | more
Pour mettre un lien sur cette page dans le réseau Wicri
{{Explor lien
|wiki= Wicri/Lorraine
|area= LrgpV1
|flux= Main
|étape= Exploration
|type= RBID
|clé= Hal:hal-00706613
|texte= NO2-promoted oxidation of methane to formaldehyde at very short residence time - Part II: Kinetic modeling
}}
| This area was generated with Dilib version V0.6.32. |  |