Sarkar, Subir ; Anil Kumar, A. V. ; Yashonath, Subramanian (2000) Diffusion anomaly from analytical formula The Journal of Chemical Physics, 112 (2). 965_1-965_5. ISSN 0021-9606
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Official URL: http://jcp.aip.org/resource/1/jcpsa6/v112/i2/p965_...
Related URL: http://dx.doi.org/10.1063/1.480646
Abstract
An analytic expression is derived for the diffusion coefficient of a sorbate in a crystalline porous solid with bottlenecks. The diffusion coefficients obtained from the analytic expression is found to agree well with the molecular dynamics results. It is also found to reproduce the temperature dependence of the levitation effect for zeolites Y and A. The present calculations provide a strong theoretical support for the levitation effect obtained so far purely from molecular dynamics calculations
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Chemical Society. |
| Keywords: | Sorption; Diffusion; Zeolites; Porous Materials |
| ID Code: | 55812 |
| Deposited On: | 19 Aug 2011 05:49 |
| Last Modified: | 19 Aug 2011 05:49 |
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