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Disorder-Induced Time-Dependent Diffusion in Zeolites

Ligang Chen·Marco Falcioni·Michael W. Deem
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Abstract

We suggest that disordered framework aluminums and non-framework cations can create a disordered electrostatic potential in zeolites that can lead to a discrepancy between diffusivities measured by microscopic and macroscopic experimental techniques. We calculate the value of the discrepancy and the characteristic time scale at which it occurs for several ionic and polarizable species diffusing in zeolites. For ionic species, a discrepancy is almost inevitable. For polarizable species, a significant discrepancy may occur in some zeolites only for long alkanes or large species such as benzene.

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Ligang Chen, Marco Falcioni, Michael W. Deem. 2000-04-03. Disorder-Induced Time-Dependent Diffusion in Zeolites. https://arxiv.org/abs/cond-mat/9912290

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