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.
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.
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