Paschek, D. ; Krishna, R. (2001) Inter-relation between self- and jump-diffusivities in zeolites Chemical Physics Letters, 333 (3-4). pp. 278-284. ISSN 0009-2614
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Official URL: http://www.sciencedirect.com/science/article/pii/S...
Related URL: http://dx.doi.org/10.1016/S0009-2614(00)01363-4
Abstract
We have performed kinetic Monte Carlo simulations for diffusion of methane, perfluoromethane and 2-methylhexane in silicalite to study the inter-relations between self-, jump- and transport-diffusivities. Both the self- and jump-diffusivities were found to decrease with occupancy, or loading, within the zeolite matrix. Correlation effects cause the self-diffusivity to be lower in value than the jump-diffusivity. Using the Maxwell-Stefan theory for diffusion we derive a simple formula to relate the self- and jump-diffusivities.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 65451 |
| Deposited On: | 17 Oct 2011 03:10 |
| Last Modified: | 17 Oct 2011 03:10 |
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