Self-diffusion studies of binary mixtures in NaX zeolites using pulsed field gradient NMR and a maxwell-Stefan model

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7 Scopus citations

Abstract

Intracrystalline self-diffusion coefficients were measured by pulsed field gradient (PFG) NMR for single components and binary mixtures of CF4 and various hydrocarbons in large-crystal NaX zeolites. A short- time diffusion model was used to obtain the unrestricted intracrystalline self-diffusivities by extrapolating to zero diffusion time, when no molecules can leave the crystal during the measurement. The results were used to test a theoretical model from Skoulidas, Sholl, and Krishna for predicting diffusion coefficients of mixtures in zeolites from single-component data. The predicted binary self-diffusivities are consistent with those directly measured in PFG NMR mixture experiments, thus providing an experimental validation of the model.

Original languageEnglish (US)
Pages (from-to)3904-3910
Number of pages7
JournalJournal of Physical Chemistry A
Volume113
Issue number16
DOIs
StatePublished - Apr 23 2009

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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