Liquid phase diffusion of branched alkanes in silicalite
Identifieur interne : 000B56 ( Main/Exploration ); précédent : 000B55; suivant : 000B57Liquid phase diffusion of branched alkanes in silicalite
Auteurs : Kader Lettat [France] ; Elsa Jolimaitre [France] ; Mélaz Tayakout [France] ; Daniel Tondeur [France]Source :
- AIChE Journal [ 0001-1541 ] ; 2011-02.
Descripteurs français
- Wicri :
- topic : Simulation.
- mix :
English descriptors
- KwdEn :
- Additional constraints, Adsorbent, Adsorption, Adsorption equilibrium, Adsorption processes, Aiche, Aiche february, Aiche journal, Aiche journal february, American institute, Apparent inversion, Axial dispersion, Binary, Binary exchange diffusion, Binary mixture, Binary system, Binder ratio, Breakthrough, Breakthrough curve, Breakthrough curves, Breakthrough experiments, Breakthrough front, Chem, Chemical potentials, Coadsorption isotherm, Coadsorption isotherms, Constraint, Crystal radius, Cstr, Different isomers, Different molar volumes, Different saturation capacities, Different species, Diffusion, Diffusion equation, Diffusion process, Duhem constraint, Entropy effects, Experimental breakthrough curves, Experimental conditions, Experimental results, Experimental setup, February, Feed composition, Generalized langmuir, Genie chimique, Global material balance, Hexane isomers, Imsl library, Isomer, Isotherm, Jolimaitre, Krishna, Langmuir, Langmuir isotherm, Langmuir parameters, Langmuir ratios, Liquid phase, Liquid phase breakthrough curves, Local equilibrium hypothesis, Macropores, Mass balances, Mass transfer, Mass transfer resistances, Material balance, Material balances, Matrix, Molar, Molar concentration, Molar fraction, Molar volume, Molar volumes, Molecule, Multicomponent diffusion, Mutual interaction, Nancy cedex, Other hand, Parameter, Parameter estimation, Pellet, Phase diffusion, Phase volume fraction, Phys chem, Pore radius, Porosity, Present model, Qsat, Reference frame, Saturation, Separation division, Silicalite, Simulation, Single component diffusion, Solid matrix, Surface diffusion, Tank reactors, Thermodynamic, Total concentration, Total number, Uxes, Vacant sites, Volume constraint, Volume constraints, Volume fraction, Volume fractions, Whole radius, Zeolite.
- Teeft :
- Additional constraints, Adsorbent, Adsorption, Adsorption equilibrium, Adsorption processes, Aiche, Aiche february, Aiche journal, Aiche journal february, American institute, Apparent inversion, Axial dispersion, Binary, Binary exchange diffusion, Binary mixture, Binary system, Binder ratio, Breakthrough, Breakthrough curve, Breakthrough curves, Breakthrough experiments, Breakthrough front, Chem, Chemical potentials, Coadsorption isotherm, Coadsorption isotherms, Constraint, Crystal radius, Cstr, Different isomers, Different molar volumes, Different saturation capacities, Different species, Diffusion, Diffusion equation, Diffusion process, Duhem constraint, Entropy effects, Experimental breakthrough curves, Experimental conditions, Experimental results, Experimental setup, February, Feed composition, Generalized langmuir, Genie chimique, Global material balance, Hexane isomers, Imsl library, Isomer, Isotherm, Jolimaitre, Krishna, Langmuir, Langmuir isotherm, Langmuir parameters, Langmuir ratios, Liquid phase, Liquid phase breakthrough curves, Local equilibrium hypothesis, Macropores, Mass balances, Mass transfer, Mass transfer resistances, Material balance, Material balances, Matrix, Molar, Molar concentration, Molar fraction, Molar volume, Molar volumes, Molecule, Multicomponent diffusion, Mutual interaction, Nancy cedex, Other hand, Parameter, Parameter estimation, Pellet, Phase diffusion, Phase volume fraction, Phys chem, Pore radius, Porosity, Present model, Qsat, Reference frame, Saturation, Separation division, Silicalite, Simulation, Single component diffusion, Solid matrix, Surface diffusion, Tank reactors, Thermodynamic, Total concentration, Total number, Uxes, Vacant sites, Volume constraint, Volume constraints, Volume fraction, Volume fractions, Whole radius, Zeolite.
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 × 10−15 m2 s−1 for 3MP to 6 × 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. © 2010 American Institute of Chemical Engineers AIChE J, 2011
Url:
- https://api.istex.fr/document/DE357E5B4F327443768073C601669EEFFB872C97/fulltext/pdf
- https://hal.archives-ouvertes.fr/hal-00604933
- https://hal.archives-ouvertes.fr/hal-00497955
DOI: 10.1002/aic.12268
Affiliations:
- France
- Auvergne-Rhône-Alpes, Grand Est, Lorraine (région), Rhône-Alpes
- Nancy, Vernaison
- Centre national de la recherche scientifique, Laboratoire réactions et génie des procédés, Université de Lorraine
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Le document en format XML
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Company</publisher><pubPlace>Hoboken</pubPlace><date type="published" when="2011-02">2011-02</date></imprint><idno type="ISSN">0001-1541</idno></series></biblStruct></sourceDesc><seriesStmt><idno type="ISSN">0001-1541</idno></seriesStmt></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Additional constraints</term><term>Adsorbent</term><term>Adsorption</term><term>Adsorption equilibrium</term><term>Adsorption processes</term><term>Aiche</term><term>Aiche february</term><term>Aiche journal</term><term>Aiche journal february</term><term>American institute</term><term>Apparent inversion</term><term>Axial dispersion</term><term>Binary</term><term>Binary exchange diffusion</term><term>Binary mixture</term><term>Binary system</term><term>Binder ratio</term><term>Breakthrough</term><term>Breakthrough curve</term><term>Breakthrough curves</term><term>Breakthrough experiments</term><term>Breakthrough front</term><term>Chem</term><term>Chemical potentials</term><term>Coadsorption isotherm</term><term>Coadsorption isotherms</term><term>Constraint</term><term>Crystal radius</term><term>Cstr</term><term>Different isomers</term><term>Different molar volumes</term><term>Different saturation capacities</term><term>Different species</term><term>Diffusion</term><term>Diffusion equation</term><term>Diffusion process</term><term>Duhem constraint</term><term>Entropy effects</term><term>Experimental breakthrough curves</term><term>Experimental conditions</term><term>Experimental results</term><term>Experimental setup</term><term>February</term><term>Feed composition</term><term>Generalized langmuir</term><term>Genie chimique</term><term>Global material balance</term><term>Hexane isomers</term><term>Imsl library</term><term>Isomer</term><term>Isotherm</term><term>Jolimaitre</term><term>Krishna</term><term>Langmuir</term><term>Langmuir isotherm</term><term>Langmuir parameters</term><term>Langmuir ratios</term><term>Liquid phase</term><term>Liquid phase breakthrough curves</term><term>Local equilibrium hypothesis</term><term>Macropores</term><term>Mass balances</term><term>Mass transfer</term><term>Mass transfer resistances</term><term>Material balance</term><term>Material balances</term><term>Matrix</term><term>Molar</term><term>Molar concentration</term><term>Molar fraction</term><term>Molar volume</term><term>Molar volumes</term><term>Molecule</term><term>Multicomponent diffusion</term><term>Mutual interaction</term><term>Nancy cedex</term><term>Other hand</term><term>Parameter</term><term>Parameter estimation</term><term>Pellet</term><term>Phase diffusion</term><term>Phase volume fraction</term><term>Phys chem</term><term>Pore radius</term><term>Porosity</term><term>Present model</term><term>Qsat</term><term>Reference frame</term><term>Saturation</term><term>Separation division</term><term>Silicalite</term><term>Simulation</term><term>Single component diffusion</term><term>Solid matrix</term><term>Surface diffusion</term><term>Tank reactors</term><term>Thermodynamic</term><term>Total concentration</term><term>Total number</term><term>Uxes</term><term>Vacant sites</term><term>Volume constraint</term><term>Volume constraints</term><term>Volume fraction</term><term>Volume fractions</term><term>Whole radius</term><term>Zeolite</term></keywords><keywords scheme="Teeft" xml:lang="en"><term>Additional constraints</term><term>Adsorbent</term><term>Adsorption</term><term>Adsorption equilibrium</term><term>Adsorption processes</term><term>Aiche</term><term>Aiche february</term><term>Aiche journal</term><term>Aiche journal february</term><term>American institute</term><term>Apparent inversion</term><term>Axial dispersion</term><term>Binary</term><term>Binary exchange diffusion</term><term>Binary mixture</term><term>Binary system</term><term>Binder ratio</term><term>Breakthrough</term><term>Breakthrough curve</term><term>Breakthrough curves</term><term>Breakthrough experiments</term><term>Breakthrough front</term><term>Chem</term><term>Chemical potentials</term><term>Coadsorption isotherm</term><term>Coadsorption isotherms</term><term>Constraint</term><term>Crystal radius</term><term>Cstr</term><term>Different isomers</term><term>Different molar volumes</term><term>Different saturation capacities</term><term>Different species</term><term>Diffusion</term><term>Diffusion equation</term><term>Diffusion process</term><term>Duhem constraint</term><term>Entropy effects</term><term>Experimental breakthrough curves</term><term>Experimental conditions</term><term>Experimental results</term><term>Experimental setup</term><term>February</term><term>Feed composition</term><term>Generalized langmuir</term><term>Genie chimique</term><term>Global material balance</term><term>Hexane isomers</term><term>Imsl library</term><term>Isomer</term><term>Isotherm</term><term>Jolimaitre</term><term>Krishna</term><term>Langmuir</term><term>Langmuir isotherm</term><term>Langmuir parameters</term><term>Langmuir ratios</term><term>Liquid phase</term><term>Liquid phase breakthrough curves</term><term>Local equilibrium hypothesis</term><term>Macropores</term><term>Mass balances</term><term>Mass transfer</term><term>Mass transfer resistances</term><term>Material balance</term><term>Material balances</term><term>Matrix</term><term>Molar</term><term>Molar concentration</term><term>Molar fraction</term><term>Molar volume</term><term>Molar volumes</term><term>Molecule</term><term>Multicomponent diffusion</term><term>Mutual interaction</term><term>Nancy cedex</term><term>Other hand</term><term>Parameter</term><term>Parameter estimation</term><term>Pellet</term><term>Phase diffusion</term><term>Phase volume fraction</term><term>Phys chem</term><term>Pore radius</term><term>Porosity</term><term>Present model</term><term>Qsat</term><term>Reference frame</term><term>Saturation</term><term>Separation division</term><term>Silicalite</term><term>Simulation</term><term>Single component diffusion</term><term>Solid matrix</term><term>Surface diffusion</term><term>Tank reactors</term><term>Thermodynamic</term><term>Total concentration</term><term>Total number</term><term>Uxes</term><term>Vacant sites</term><term>Volume constraint</term><term>Volume constraints</term><term>Volume fraction</term><term>Volume fractions</term><term>Whole radius</term><term>Zeolite</term></keywords><keywords scheme="Wicri" type="topic" xml:lang="fr"><term>Simulation</term></keywords><keywords scheme="mix" xml:lang="fr"><term>adsorption</term><term>adsorption • liquid phase • diffusion • mixtures • zeolites • modeling</term><term>diffusion</term><term>liquid phase</term><term>mixtures</term><term>modeling</term><term>zeolites</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="fr">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 × 10−15 m2 s−1 for 3MP to 6 × 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. © 2010 American Institute of Chemical Engineers AIChE J, 2011</div></front></TEI><affiliations><list><country><li>France</li></country><region><li>Auvergne-Rhône-Alpes</li><li>Grand Est</li><li>Lorraine (région)</li><li>Rhône-Alpes</li></region><settlement><li>Nancy</li><li>Vernaison</li></settlement><orgName><li>Centre national de la recherche scientifique</li><li>Laboratoire réactions et génie des procédés</li><li>Université de Lorraine</li></orgName></list><tree><country name="France"><region name="Auvergne-Rhône-Alpes"><name sortKey="Lettat, Kader" sort="Lettat, Kader" uniqKey="Lettat K" first="Kader" last="Lettat">Kader Lettat</name></region><name sortKey="Jolimaitre, Elsa" sort="Jolimaitre, Elsa" uniqKey="Jolimaitre E" first="Elsa" last="Jolimaitre">Elsa Jolimaitre</name><name sortKey="Jolimaitre, Elsa" sort="Jolimaitre, Elsa" uniqKey="Jolimaitre E" first="Elsa" last="Jolimaitre">Elsa Jolimaitre</name><name sortKey="Jolimaitre, Elsa" sort="Jolimaitre, Elsa" uniqKey="Jolimaitre E" first="Elsa" last="Jolimaitre">Elsa Jolimaitre</name><name sortKey="Lettat, Kader" sort="Lettat, Kader" uniqKey="Lettat K" first="Kader" last="Lettat">Kader Lettat</name><name sortKey="Tayakout, Melaz" sort="Tayakout, Melaz" uniqKey="Tayakout M" first="Mélaz" last="Tayakout">Mélaz Tayakout</name><name sortKey="Tondeur, Daniel" sort="Tondeur, Daniel" uniqKey="Tondeur D" first="Daniel" last="Tondeur">Daniel Tondeur</name></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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