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

The adsorption mechanism of ethane, ethylene, and acetylene (C 2H 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. In conclusion, both materials selectively adsorb C 2 hydrocarbon gases over methane as determined with IAST and breakthrough calculations as well as experimental breakthrough measurements, with C 2H 6/CH 4 selectivity as high as 74 in SBMOF-1.
Authors:
 [1] ;  [2] ;  [3] ;  [4] ;  [5] ;  [3] ;  [1] ;  [5] ;  [3] ;  [6]
  1. Stony Brook Univ., NY (United States). Dept. of Geosciences
  2. Stony Brook Univ., NY (United States). Dept. of Chemistry
  3. Rutgers Univ., Piscataway, NJ (United States). Dept. of Chemistry and Chemical Biology
  4. Univ. of Amsterdam (Netherlands). Van't Hoff Inst. for Molecular Sciences (HIMS)
  5. King Abdullah Univ. of Science and Technology, Thuwal (Saudi Arabia)
  6. Stony Brook Univ., NY (United States). Dept. of Geosciences; Stony Brook Univ., NY (United States). Dept. of Chemistry; Brookhaven National Lab. (BNL), Upton, NY (United States). Photon Sciences Directorate
Publication Date:
Report Number(s):
BNL-112570-2016-JA
Journal ID: ISSN 0897-4756
Grant/Contract Number:
SC0012704
Type:
Accepted Manuscript
Journal Name:
Chemistry of Materials
Additional Journal Information:
Journal Volume: 28; Journal Issue: 6; Journal ID: ISSN 0897-4756
Publisher:
American Chemical Society (ACS)
Research Org:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
OSTI Identifier:
1340384