Incommensurate Diffusion in Confined Systems

D. Dubbeldam, Sofia Calero, T. L.M. Maesen, B. Smit

Research output: Contribution to journalArticleAcademicpeer-review

3 Citations (Scopus)

Abstract

Molecular simulations corroborate the existence of the disputed window effect, i.e., an increase in diffusion rate by orders of magnitude when the alkane chain length increases so that the shape of the alkane is no longer commensurate with that of a zeolite cage. This window effect is shown to be characteristic for molecular sieves with pore openings that approach the diameter of the adsorbate. Furthermore, the physical compatibility between the adsorbate and the adsorbent has a direct effect on the heat of adsorption, the Henry coefficients, the activation energy, and the frequency factors.

Original languageEnglish
Number of pages1
JournalPhysical Review Letters
Volume90
Issue number24
DOIs
Publication statusPublished - 2003
Externally publishedYes

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