Yashonath, Subramanian ; Santikary, Prakriteswar (1994) Diffusion in zeolites: anomalous dependence on sorbate diameter The Journal of Chemical Physics, 100 (5). pp. 4013-4016. ISSN 0021-9606
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Official URL: http://jcp.aip.org/resource/1/jcpsa6/v100/i5/p4013...
Related URL: http://dx.doi.org/10.1063/1.466336
Abstract
Molecular dynamics calculations on sorbate atoms of varying diameters in zeolites A and Y are reported. Rates of cage-to-cage diffusions, rate of cage visits, and diffusion coefficients show unexpected behavior. A generalized parameter has been defined that exhibit a peak in diffusion coefficient around 0.84 for both the zeolites investigated.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Institute of Physics. |
| Keywords: | Zeolites; Diffusion; Adsorbates; Radii; Anomalous Properties; Molecular Dynamics Calculations; Atom Transport; Lennard-jones Potential |
| ID Code: | 55834 |
| Deposited On: | 19 Aug 2011 05:41 |
| Last Modified: | 19 Aug 2011 05:41 |
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