Dynamics of rare gases in zeolites: instantaneous normal mode analysis

Article Abstract:

A study was conducted to correlate the dynamics of rare gases in zeolites with an equilibrium property of the system - the instantaneous normal mode spectrum. Specifically, xenon adsorption was examined in all-silica polymorphs of four zeolites, namely, silicalite, faujasite, mordenite and Na-A. Among other results, it was found that short-time dynamics in a zeolite especially at low sorbate concentrations is largely ballistic and controlled by the sorbate-wall interactions.

Gases, Zeolites, Gas absorption, Gas adsorption, Molecular sieves, Noble gases, Gases, Rare, Xenon

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Waterlike structural and excess entropy anomalies in liquid beryllium fluoride

Article Abstract:

The relationship between structural order metrics and the excess entropy is analyzed by using the transferable rigid ion model (TRIM) of beryllium fluoride melt that has exhibited waterlike thermodynamic anomalies. The existence of the region of excess entropy has played a vital role in determining the existence of diffusional and mobility anomalies, given the excess entropy scaling of transport properties seen in many liquids.

Primary nonferrous metals, not elsewhere classified, Primary Smelting and Refining of Nonferrous Metal (except Copper and Aluminum), Beryllium Alloys, Analysis, Diffusion, Diffusion (Physics), Entropy (Physics), Entropy (Thermodynamics), Structure, Order-disorder models

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Instantaneous normal mode analysis of the levitation effect in zeolites

Article Abstract:

It has been possible to undertake an instantaneous normal-mode analysis of the levitation effect for monatomic Lennard-Jones sorbates adsorbed in Na-Y zeolite. The instantaneous normal mode spectrum has a number of distinct signatures of the levitation effect.

Adsorption, Sorbic acid, Sorbates

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