Prediction of cross-term coefficients in binary diffusion: Diffusion in zeolite

Yang, Ralph T.; Chen, Y.D.; Yeh, Yu-Hao

doi:10.1016/0009-2509(91)85012-m

Cited by 54 publications

(28 citation statements)

References 22 publications

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“…Yang et al (1991) described diffusion in zeolites with the Onsager formalism of irreversible thermodynamics by including the cross-coefficients L , , in their derivation of the Fick diffusion coefficient matrix. However, if we consider the situation with both components adsorbed in the same amount, the result of Yang et al (1991) (cf. relations 26 and 27 of their article) for the zero-coverage value of apparent diffusion coefficient varies with the interaction parameter and the GMS diffusivities.…”

Section: Vol 41 No 11mentioning

confidence: 99%

“…Using the Onsager formalism with a vanishing crosscoefficient L , , binary diffusion in zeolites has been investigated by Habgood (1958, Round et al (1966, and G r g e r and Biilow (1975). Yang et al (1991) also included the crosscoefficient L,, in the description of binary diffusion in zeolites based on the Onsager formalism. Krishna (1990Krishna ( , 1993 described multicomponent diffusion in molecular sieve adsorbents using the Maxwell-Stefan equations.…”

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confidence: 99%

“…This has been done by Round et al (1966) and Yang et al (1991). Using the inverse method of sorption kinetics of multicomponent mixtures, Marutovsky and Bulow (1989), and references therein, are able to evaluate the multicomponent Fick diffusion coefficient matrix from uptake profiles.…”

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confidence: 99%

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Simulation of diffusion in zeolitic structures

Broeke¹

1995

AIChE Journal

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Section: Vol 41 No 11mentioning

confidence: 99%

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confidence: 99%

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Simulation of diffusion in zeolitic structures

Broeke¹

1995

AIChE Journal

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“…this article should be addressed to R. T. Yang atively few and our knowledge on the subject remains primitive (Habgood, 1958;Ma and Roux, 1973;Ma and Lee, 1977;Ruthven and Kumar, 1979;Palekar and Rajadhyaksha, 1986;Marutovsky and Bulow, 1987;Yasuda and Matsumoto, 1989;Krishna, 1990;Qureshi and Wei, 1990a,b;Tsikoyiannis and Wei, 1991a,b;Yang et al, 1991;Chen and Yang, 1992;Nelson and Wei, 1992;Chen et al, 1993;Krishna, 1993). There are only few theories with which one can predict multicomponent diffusivities from pure-component diffusivities, as discussed by Chen and Yang (1992).…”

Section: Introductionmentioning

confidence: 99%

Diffusion of oxygen, nitrogen and their mixtures in carbon molecular sieve

1994

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Diffusivities of oxygen, nitrogen and their mixtures in carbon molecular sieve are measured under conditions used for kinetic separation of air by adsorption (elevated pressures). In binary diffusion, codiffusion enhances fluxes for both components, whereas counterdiffusion has the opposite effects; for both cases, the effects are significantly more pronounced for the fast diffusing component. The multicomponent diffusion theory developed earlier in this laboratory for surface diffusion is reformulated for diffusion in molecular sieves. Multicomponent diffusivities can be predicted from the following pure-component in formation: concentration-dependent diffusivities and diffusional activation energies. Predicted binary diffusion results agree fairly with the experimental data for oxygen and nitrogen in carbon molecular sieve.

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“…at an adsorption site the sorbed species j is replaced by the species i. Krishna (1990) suggested the use of a Vignes (1996) relationship for determination of the counter-sorption diffusivity; alternative approaches are available in the literature (Yang et al, 1991).…”

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Experimental verification of the Maxwell-Stefan theory for micropore diffusion

Broeke

Krishna

1995

Chemical Engineering Science

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Experimental verification of the Maxwell-Stefan theory for micropore diffusion van den Broeke, L.J.P.; Krishna, R. General rightsIt is not permitted to download or to forward/distribute the text or part of it without the consent of the author(s) and/or copyright holder(s), other than for strictly personal, individual use, unless the work is under an open content license (like Creative Commons). Disclaimer/Complaints regulationsIf you believe that digital publication of certain material infringes any of your rights or (privacy) interests, please let the Library know, stating your reasons. In case of a legitimate complaint, the Library will make the material inaccessible and/or remove it from the website. Please Ask the Library: http://uba.uva.nl/en/contact, or a letter to: Library of the University of Amsterdam, Secretariat, Singel 425, 1012 WP Amsterdam, The Netherlands. You will be contacted as soon as possible. Abstract--The main objective of this paper is to test the capability of the Maxwell-Stefan theory for predicting the diffusion behaviour of multicomponent mixtures within micropores on the basis of the diffusion behaviour of single components. Diffusion within micropores involves movement of sorbed species. It is an activated process. The proper driving force is the gradient of the surface chemical potential.In the Maxwell-Stefan theory for mieropore diffusion, the adsorption sites on the surface are viewed as pseudo-species, analogous to craters on the surface of the moon. The surface coverage has a significant influence on the mass transfer fluxes. The Maxwell-Stefan theory yields alternative approaches to micropore diffusion as special cases and is consistent with the theory of irreversible thermodynamics. The Maxwell-Stefan diffusivity for signal-component diffusion D is usually referred to as the "corrected" diffusivity in the literature. For binary diffusion, the Maxwell-Stefan equations, when combined with Langmuir adsorption equilibrium, coincide with the formulation derived by Habgood in 1958.To test the predictive capability of the Maxwell-Stefan theory we performed breakthrough experiments with single components and mixtures containing methane, carbon dioxide, propane and propene. These experiments were carried out in a packed bed of microporous activated carbon and with carbon molecular sieves. It is deafly demonstrated that the mixture behaviour can be predicted by the Maxwell-Stefan theory extremely well under a wide range of conditions: co-adsorption, co-desorption and counter-sorption. A model in which the matrix of Fick diffusivities is assumed to be constant is shown to be less successful in this regard.

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Prediction of cross-term coefficients in binary diffusion: Diffusion in zeolite

Cited by 54 publications

References 22 publications

Simulation of diffusion in zeolitic structures

Simulation of diffusion in zeolitic structures

Diffusion of oxygen, nitrogen and their mixtures in carbon molecular sieve

Experimental verification of the Maxwell-Stefan theory for micropore diffusion

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