Krishna, R. ; van Baten, J. M. ; Dubbeldam, D. (2004) On the inflection in the concentration dependence of the Maxwell-Stefan diffusivity of CF4 in MFI zeolite The Journal of Physical Chemistry B, 108 (39). pp. 14820-14822. ISSN 1089-5647
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Official URL: http://pubs.acs.org/doi/abs/10.1021/jp0465682
Related URL: http://dx.doi.org/10.1021/jp0465682
Abstract
The recently published data on the Maxwell-Stefan diffusivity Ð of CF4 in MFI zeolite (J. Phys. Chem. B 2004, 108, 10613) shows an inflection at a loading ϑ = 12 molecules per unit cell, corresponding to the inflection in the adsorption isotherm. We investigate the underlying reasons by performing kinetic Monte Carlo simulations and show that at ϑ = 12, the molecular traffic along the zigzag channels comes to a virtual stand-still and further transport occurs only along the straight channels of MFI. The inflection behavior of Ð is likely to be a generic characteristic of transport in nanoporous materials in which the adsorption of the diffusant occurs on multiple sites with widely different strengths.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Chemical Society. |
| ID Code: | 65371 |
| Deposited On: | 17 Oct 2011 03:18 |
| Last Modified: | 17 Oct 2011 03:18 |
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