Yashonath, Subramanian and Santikary, P (1993) Influence of non-geometrical factors on intracrystalline diffusion -- Role of sorbate-zeolite interactions. In: Molecular Physics, 78 (1). pp. 1-6.Full text not available from this repository.
Molecular dynamics simulations on Xe in NaY and Ar in NaCaA zeolite are reported. Rates of cage-to-cage crossovers in the two zeolites exhibit trends which are contrary to that expected from geometrical considerations. The results suggest the important role of the sorbate-zeolite interactions in determining the molecular sieve properties of zeolites for small sized sorbates. The results are explained in terms of the barrier height for cage-to-cage crossover in the two zeolites.
|Item Type:||Editorials/Short Communications|
|Additional Information:||Copyright of this article belongs to Taylor and Francis Group.|
|Department/Centre:||Division of Chemical Sciences > Solid State & Structural Chemistry Unit|
|Date Deposited:||10 Feb 2011 08:18|
|Last Modified:||10 Feb 2011 08:18|
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