Liquid Phase Diffusion of Branched Alkanes in Silicalite
Identifieur interne : 000696 ( Hal/Corpus ); précédent : 000695; suivant : 000697Liquid Phase Diffusion of Branched Alkanes in Silicalite
Auteurs : K. Lettat ; E. Jolimaitre ; M. Tayakout ; D. TondeurSource :
- AIChE Journal [ 0001-1541 ] ; 2011.
Descripteurs français
- mix :
Abstract
This work provides a new mass transfer model based on the Maxwell-Stefan theory, especially adapted to represent adsorbed phase multicomponent diffusion at high-adsorbent loading. In our model-contrarily to the well-known model developed by Krishna et al. (Chem Eng Sci. 1990;45:7:1779-1791; Gas Sep Purif. 1993;7:91-104; J Phys Chem B. 2005;109:6386-6396)-the hypothesis that the micropores are saturated does not imply a dependency between the adsorbed phase diffusion coefficients. Experimental liquid phase breakthrough curves of 2-methylpentane (2MP), 3-methylpentane (3MP), 2,3-dimethylbutane (23DMB), and 2,2-dimethylbutane (22DMB) were measured at 458 K in silicalite. The self-diffusion coefficients and Langmuir parameters of the different species were determined using binary exchange breakthrough curves. The Maxwell-Stefan diffusion coefficients obtained for the different isomers are in the order D3MP,nc+1 > D2MP,nc+1 " D23DMB,nc+1, and vary between 4 x 10-15 m2 s-1 for 3MP to 6 x 10-16 m2 s-1 for 23DMB. The 22DMB diffusion coefficient is so low that it could not be estimated (the quantity of 22DMB entering silicalite during the experiment is not significant). The model was then validated by comparing experimental breakthrough curves at different feed concentrations and simulations using the independently estimated parameters. Even though the diffusion coefficients of the different isomers vary by one order of magnitude, the agreement between simulated and experimental curves is very satisfactory, showing the good predictive power of our model.
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DOI: 10.1002/aic.12268
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In our model-contrarily to the well-known model developed by Krishna et al. (Chem Eng Sci. 1990;45:7:1779-1791; Gas Sep Purif. 1993;7:91-104; J Phys Chem B. 2005;109:6386-6396)-the hypothesis that the micropores are saturated does not imply a dependency between the adsorbed phase diffusion coefficients. Experimental liquid phase breakthrough curves of 2-methylpentane (2MP), 3-methylpentane (3MP), 2,3-dimethylbutane (23DMB), and 2,2-dimethylbutane (22DMB) were measured at 458 K in silicalite. The self-diffusion coefficients and Langmuir parameters of the different species were determined using binary exchange breakthrough curves. The Maxwell-Stefan diffusion coefficients obtained for the different isomers are in the order D3MP,nc+1 > D2MP,nc+1 " D23DMB,nc+1, and vary between 4 x 10-15 m2 s-1 for 3MP to 6 x 10-16 m2 s-1 for 23DMB. The 22DMB diffusion coefficient is so low that it could not be estimated (the quantity of 22DMB entering silicalite during the experiment is not significant). The model was then validated by comparing experimental breakthrough curves at different feed concentrations and simulations using the independently estimated parameters. Even though the diffusion coefficients of the different isomers vary by one order of magnitude, the agreement between simulated and experimental curves is very satisfactory, showing the good predictive power of our model.</div></front></TEI><hal api="V3"><titleStmt><title xml:lang="en">Liquid Phase Diffusion of Branched Alkanes in Silicalite</title><author role="aut"><persName><forename type="first">K.</forename><surname>Lettat</surname></persName><email></email><idno type="halauthor">401011</idno><affiliation ref="#struct-92361"></affiliation><affiliation ref="#struct-211875"></affiliation></author><author role="aut"><persName><forename type="first">E.</forename><surname>Jolimaitre</surname></persName><email></email><idno type="halauthor">109724</idno><affiliation ref="#struct-92361"></affiliation></author><author role="aut"><persName><forename type="first">M.</forename><surname>Tayakout</surname></persName><email></email><idno type="halauthor">62385</idno><affiliation ref="#struct-26646"></affiliation></author><author role="aut"><persName><forename type="first">D.</forename><surname>Tondeur</surname></persName><email></email><idno type="halauthor">89574</idno><affiliation ref="#struct-211875"></affiliation></author><editor role="depositor"><persName><forename>Josiane</forename><surname>Moras</surname></persName><email>josiane.moras@ensic.inpl-nancy.fr</email></editor></titleStmt><editionStmt><edition n="v1" type="current"><date type="whenSubmitted">2011-06-30 10:14:51</date><date type="whenModified">2016-05-17 10:12:13</date><date type="whenReleased">2011-06-30 10:14:51</date><date type="whenProduced">2011</date></edition><respStmt><resp>contributor</resp><name key="109516"><persName><forename>Josiane</forename><surname>Moras</surname></persName><email>josiane.moras@ensic.inpl-nancy.fr</email></name></respStmt></editionStmt><publicationStmt><distributor>CCSD</distributor><idno type="halId">hal-00604933</idno><idno type="halUri">https://hal.archives-ouvertes.fr/hal-00604933</idno><idno type="halBibtex">lettat:hal-00604933</idno><idno type="halRefHtml">AIChE Journal, Wiley, 2011, 57 ((2)), pp. 319-332. <10.1002/aic.12268></idno><idno type="halRef">AIChE Journal, Wiley, 2011, 57 ((2)), pp. 319-332. <10.1002/aic.12268></idno></publicationStmt><seriesStmt><idno type="stamp" n="CNRS">CNRS - Centre national de la recherche scientifique</idno><idno type="stamp" n="IRCELYON">Institut de recherches sur la catalyse et l'environnement de Lyon</idno><idno type="stamp" n="IFP">IFP Energies Nouvelles</idno><idno type="stamp" n="INC-CNRS">Institut de Chimie du CNRS</idno><idno type="stamp" n="LRGP-UL">LRGP</idno><idno type="stamp" n="UNIV-LORRAINE">Université de Lorraine</idno></seriesStmt><notesStmt><note type="audience" n="2">International</note><note type="popular" n="0">No</note><note type="peer" n="1">Yes</note></notesStmt><sourceDesc><biblStruct><analytic><title xml:lang="en">Liquid Phase Diffusion of Branched Alkanes in Silicalite</title><author role="aut"><persName><forename type="first">K.</forename><surname>Lettat</surname></persName><idno type="halAuthorId">401011</idno><affiliation ref="#struct-92361"></affiliation><affiliation ref="#struct-211875"></affiliation></author><author role="aut"><persName><forename type="first">E.</forename><surname>Jolimaitre</surname></persName><idno type="halAuthorId">109724</idno><affiliation ref="#struct-92361"></affiliation></author><author role="aut"><persName><forename type="first">M.</forename><surname>Tayakout</surname></persName><idno type="halAuthorId">62385</idno><affiliation ref="#struct-26646"></affiliation></author><author role="aut"><persName><forename type="first">D.</forename><surname>Tondeur</surname></persName><idno type="halAuthorId">89574</idno><affiliation ref="#struct-211875"></affiliation></author></analytic><monogr><idno type="halJournalId" status="VALID">2717</idno><idno type="issn">0001-1541</idno><idno type="eissn">1547-5905</idno><title level="j">AIChE Journal</title><imprint><publisher>Wiley</publisher><biblScope unit="volume">57</biblScope><biblScope unit="issue">(2)</biblScope><biblScope unit="pp">pp. 319-332</biblScope><date type="datePub">2011</date></imprint></monogr><idno type="doi">10.1002/aic.12268</idno></biblStruct></sourceDesc><profileDesc><langUsage><language ident="en">English</language></langUsage><textClass><keywords scheme="author"><term xml:lang="fr">adsorption</term><term xml:lang="fr">liquid phase</term><term xml:lang="fr">diffusion</term><term xml:lang="fr">mixtures</term><term xml:lang="fr">zeolites</term><term xml:lang="fr">modeling</term></keywords><classCode scheme="halDomain" n="spi.gproc">Engineering Sciences [physics]/Chemical and Process Engineering</classCode><classCode scheme="halTypology" n="ART">Journal articles</classCode></textClass><abstract xml:lang="en">This work provides a new mass transfer model based on the Maxwell-Stefan theory, especially adapted to represent adsorbed phase multicomponent diffusion at high-adsorbent loading. In our model-contrarily to the well-known model developed by Krishna et al. (Chem Eng Sci. 1990;45:7:1779-1791; Gas Sep Purif. 1993;7:91-104; J Phys Chem B. 2005;109:6386-6396)-the hypothesis that the micropores are saturated does not imply a dependency between the adsorbed phase diffusion coefficients. Experimental liquid phase breakthrough curves of 2-methylpentane (2MP), 3-methylpentane (3MP), 2,3-dimethylbutane (23DMB), and 2,2-dimethylbutane (22DMB) were measured at 458 K in silicalite. The self-diffusion coefficients and Langmuir parameters of the different species were determined using binary exchange breakthrough curves. The Maxwell-Stefan diffusion coefficients obtained for the different isomers are in the order D3MP,nc+1 > D2MP,nc+1 " D23DMB,nc+1, and vary between 4 x 10-15 m2 s-1 for 3MP to 6 x 10-16 m2 s-1 for 23DMB. The 22DMB diffusion coefficient is so low that it could not be estimated (the quantity of 22DMB entering silicalite during the experiment is not significant). The model was then validated by comparing experimental breakthrough curves at different feed concentrations and simulations using the independently estimated parameters. Even though the diffusion coefficients of the different isomers vary by one order of magnitude, the agreement between simulated and experimental curves is very satisfactory, showing the good predictive power of our model.</abstract></profileDesc></hal></record>Pour manipuler ce document sous Unix (Dilib)
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