Light Hydrocarbon Adsorption Mechanisms in Two Calcium-Based Microporous Metal Organic Frameworks

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• 作者：Anna M. Plonka ; Xianyin Chen ; Hao Wang ; Rajamani Krishna ; Xinglong Dong ; Debasis Banerjee ; William R. Woerner ; Yu Han ; Jing Li ; John B. Parise
• 刊名：Chemistry of Materials
• 出版年：2016
• 出版时间：March 22, 2016
• 年：2016
• 卷：28
• 期：6
• 页码：1636-1646
• 全文大小：759K
• ISSN：1520-5002

文摘

The adsorption mechanism of ethane, ethylene, and acetylene (C₂H_n; n = 2, 4, 6) on two microporous metal organic frameworks (MOFs) is described here that is consistent with observations from single crystal and powder X-ray diffraction, calorimetric measurements, and gas adsorption isotherm measurements. Two calcium-based MOFs, designated as SBMOF-1 and SBMOF-2 (SB: Stony Brook), form three-dimensional frameworks with one-dimensional open channels. As determined from single crystal diffraction experiments, channel geometries of both SBMOF-1 and SBMOF-2 provide multiple adsorption sites for hydrocarbon molecules through C–H···π and C–H···O interactions, similarly to interactions in the molecular and protein crystals. Both materials selectively adsorb C₂ hydrocarbon gases over methane as determined with IAST and breakthrough calculations as well as experimental breakthrough measurements, with C₂H₆/CH₄ selectivity as high as 74 in SBMOF-1.