Diffusion and Adsorption of 2-Methylpentane and 3-Methylpentane in MFI-Type Zeolite Crystals

doi:10.1021/acs.jpcc.6c02168

Diffusion and Adsorption of 2-Methylpentane and 3-Methylpentane in MFI-Type Zeolite Crystals

2026-05-05

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DOI：10.1021/acs.jpcc.6c02168

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Due to the intimate contact of guest molecules with the inner surface of microporous adsorbents, slight changes in the structure of the guest molecules may lead to remarkable changes in their microdynamics. As an impressive example, in this work, diffusion measurements via IR microimaging (IRM) show that the transport diffusivity of 2-methylpentane (2MP) exceeds the value attained for 3-methylpentane (3MP) by a factor of 2–4.5 in silicalite-1, an MFI-type zeolite crystal and a technically relevant porous host system. This experimental finding is rationalized by comparison with the outcome of dynamically corrected transition state theory (dcTST) simulations.

Keywords:

Adsorption

Diffusion

Hydrocarbons

Thermodynamic properties

Zeolites

Diffusion and Adsorption of 2-Methylpentane and 3-Methylpentane in MFI-Type Zeolite Crystals

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