Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
112 (2000), S. 965-969
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
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. © 2000 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.480646
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