Prediction of Molecular Separation of Polar鈥揂polar Mixtures on Heterogeneous Metal鈥揙rganic Frameworks: HKUST-1

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• 作者：Tom R. C. Van Assche ; Tim Duerinck ; Stijn Van der Perre ; Gino V. Baron ; Joeri F. M. Denayer
• 刊名：Langmuir
• 出版年：2014
• 出版时间：July 8, 2014
• 年：2014
• 卷：30
• 期：26
• 页码：7878-7883
• 全文大小：394K
• ISSN：1520-5827

文摘

Due to the combination of metal ions and organic linkers and the presence of different types of cages and channels, metal鈥搊rganic frameworks often possess a large structural and chemical heterogeneity, complicating their adsorption behavior, especially for polar鈥揳polar adsorbate mixtures. By allocating isotherms to individual subunits in the structure, the ideal adsorbed solution theory (IAST) can be adjusted to cope with this heterogeneity. The binary adsorption of methanol and n-hexane on HKUST-1 is analyzed using this segregated IAST (SIAST) approach and offers a significant improvement over the standard IAST model predictions. It identifies the various HKUST-1 cages to have a pronounced polar or apolar adsorptive behavior.