Yashonath, S and Santikary, Prakriteswar (1992) Dynamics of adsorbates in micropores of zeolites and breakdown of Arrhenius behavior. In: Physical Review B: Condensed Matter and Materials Physics, 45 (17). pp. 10095-10098.
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A molecular-dynamics calculation of diffusion of xenon in the micropores of zeolite Y shows several unusual features. Xenon atoms migrating from one cage to another through a twelve-membered ring exhibit a temperature-dependent barrier height and a breakdown of Arrhenius behavior. Barrierless trajectories for cage-to-cage migration have been found. The mechanism of migration as a function of temperature is discussed. The activation-energy spectra show the existence of both positive and negative barrier heights.
|Item Type:||Journal Article|
|Additional Information:||Copyright of this article belongs to American Physical Society|
|Keywords:||Dynamics of adsorbates;micropores of zeolites;breakdown of Arrhenius|
|Department/Centre:||Division of Chemical Sciences > Solid State & Structural Chemistry Unit|
|Date Deposited:||02 Apr 2008|
|Last Modified:||19 Sep 2010 04:43|
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