Light Hydrocarbons Adsorption Mechanisms in Two Calcium-based Microporous Metal Organic Frameworks

Anna M. Plonka, Xianyin Chen, Hao Wang, Rajamani Krishna, Xinglong Dong, Debasis Banerjee, William R. Woerner, Yu Han, Jing Li, John B. Parise

Research output: Contribution to journalArticlepeer-review

50 Scopus citations

Abstract

The adsorption mechanism of ethane, ethylene and acetylene (C2Hn; 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 measurments 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 form single crystal diffraction experiments channel geometries of both SBMOF-1 and SBMOF-2 provide multiple adsorption sites for hydrocarbon molecules trough 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, with C2H6/CH4 selectivity as high as 74 in SBMOF-1.
Original languageEnglish (US)
Pages (from-to)1636-1646
Number of pages11
JournalChemistry of Materials
Volume28
Issue number6
DOIs
StatePublished - Mar 2016

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