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Comment on “Does lattice vibration drive diffusion in zeolites?” [J. Chem. Phys. 114, 3776 (2001)]

Suffritti, Giuseppe Baldovino and Demontis, Pierfranco and Ciccotti, Giovanni (2003) Comment on “Does lattice vibration drive diffusion in zeolites?” [J. Chem. Phys. 114, 3776 (2001)]. The Journal of Chemical Physics, Vol. 118 (7), p. 3439-3440. eISSN 1089-7690. Article.

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DOI: 10.1063/1.1538182

Abstract

In a recent paper, Kopelevich and Chang propose a method to estimate the effect of lattice vibrations as a driving force for sorbate diffusion in zeolites – a class of microporous crystalline aluminosilicates. With the provisos given in this comment, the results are important since, even if in some cases the choice of a rigid crystal does not alter dramatically the sorbate motion, the inclusion of lattice vibrations (resulting from LD, or, even better from MD simulations) is essential to provide in general a correct representation of the sorbate dynamics.

Item Type:Article
ID Code:3752
Status:Published
Refereed:Yes
Uncontrolled Keywords:Surface diffusion, lattice dynamics, zeolites, adsorbed layers, adsorption, vibrational modes
Subjects:Area 03 - Scienze chimiche > CHIM/02 Chimica fisica
Divisions:002 Altri enti e centri di ricerca del Nord Sardegna > INSTM-Consorzio Interuniversitario Nazionale per la Scienza e la Tecnologia dei Materiali, Unità di ricerca di Sassari
001 Università di Sassari > 01 Dipartimenti > Chimica
Publisher:American Institute of Physics
eISSN:1089-7690
Publisher Policy:Depositato in conformità con la politica di copyright dell'Editore
Deposited On:19 Apr 2010 13:09

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