High Adsorption Capacities and Two-Step Adsorption of Polar Adsorbates on Copper鈥揃enzene-1,3,5-tricarboxylate Metal鈥揙rganic Framework
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- 作者：Tom R. C. Van Assche ; Tim Duerinck ; Juan Jos茅 Guti茅rrez Sevillano ; Sofia Calero ; Gino V. Baron ; Joeri F. M. Denayer
- 刊名：Journal of Physical Chemistry C
- 出版年：2013
- 出版时间：September 5, 2013
- 年：2013
- 卷：117
- 期：35
- 页码：18100-18111
- 全文大小：625K
- 年卷期：v.117,no.35(September 5, 2013)
- ISSN：1932-7455
文摘
This work discusses the adsorption of polar and apolar molecules on the copper鈥揵enzene-1,3,5-tricarboxylate (Cu鈥揃TC) metal鈥搊rganic framework. Vapor phase adsorption isotherms of various polar adsorbates such as methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, 1-hexanol, water, acetone, acetonitrile, tetrahydrofuran, and N,N-dimethylformamide, as well as some apolar adsorbates such as n-hexane, n-heptane, m-xylene, and cyclohexane, on the Cu鈥揃TC framework are presented. We show that water exposure of the Cu鈥揃TC framework has an adverse effect on the uptake capacity. However, with minimized water exposure, we find high adsorption capacities, exceeding 0.65 cm3/g for all adsorbates with the exception of water, and we show that small polar adsorbates exhibit a two-step adsorption behavior. This behavior is further studied using molecular simulation and proposed to occur due to the presence of the various Cu鈥揃TC cages. The cages containing the exposed coordinatively unsaturated copper sites have a more polar character, while the other cages behave in a more apolar way, causing a two-step adsorption behavior depending on the character of the adsorbate.