The predictive power of classical transition state theory revealed in diffusion studies with MOF ZIF-8

被引：44

作者：

Chmelik, Christian ^{[1
]}

Kaerger, Joerg ^{[1
]}

机构：

[1] Univ Leipzig, Fac Phys & Geosci, Linnestr 5, D-04103 Leipzig, Germany

来源：

MICROPOROUS AND MESOPOROUS MATERIALS | 2016年 / 225卷

关键词：

ZIF-8; MOF; Diffusion; IR microscopy; Mixture; ZEOLITIC IMIDAZOLATE FRAMEWORKS; FIELD-GRADIENT NMR; MFI-TYPE ZEOLITES; NUCLEAR-MAGNETIC-RESONANCE; SELF-DIFFUSION; PFG NMR; INTRACRYSTALLINE DIFFUSION; EXCHANGEABLE CATIONS; MOLECULAR-DYNAMICS; CONSISTENCY CHECK;

D O I：

10.1016/j.micromeso.2015.11.051

中图分类号：

O69 [应用化学];

学科分类号：

081704 ;

摘要：

Knowledge of the adsorption isotherm is demonstrated to be sufficient for predicting the concentration dependence of the diffusivity of light hydrocarbons in MOF ZIF-8. Guest molecules considered include saturated and unsaturated hydrocarbons and alcohols. Calculations are based on the application of the classical transition state theory (TST). The predictions cover concentration dependences of up to two orders of magnitude in transport diffusion and of one order in self-diffusion. In agreement with TST, self and corrected (Maxwell-Stefan) diffusivities are seen to coincide. (C) 2015 Elsevier Inc. All rights reserved.

引用

页码：128 / 132

页数：5

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