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

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 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 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.

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:
Research Org.:
Brookhaven National Lab. (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1340384
Report Number(s):
BNL-112570-2016-JA
Journal ID: ISSN 0897-4756
Grant/Contract Number:  
SC0012704
Resource 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)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Plonka, Anna M., Chen, Xianyin, Wang, Hao, Krishna, Rajamani, Dong, Xinglong, Banerjee, Debasis, Woerner, William R., Han, Yu, Li, Jing, and Parise, John B. Light Hydrocarbon Adsorption Mechanisms in Two Calcium-Based Microporous Metal Organic Frameworks. United States: N. p., 2016. Web. doi:10.1021/acs.chemmater.5b03792.
Plonka, Anna M., Chen, Xianyin, Wang, Hao, Krishna, Rajamani, Dong, Xinglong, Banerjee, Debasis, Woerner, William R., Han, Yu, Li, Jing, & Parise, John B. Light Hydrocarbon Adsorption Mechanisms in Two Calcium-Based Microporous Metal Organic Frameworks. United States. doi:10.1021/acs.chemmater.5b03792.
Plonka, Anna M., Chen, Xianyin, Wang, Hao, Krishna, Rajamani, Dong, Xinglong, Banerjee, Debasis, Woerner, William R., Han, Yu, Li, Jing, and Parise, John B. Mon . "Light Hydrocarbon Adsorption Mechanisms in Two Calcium-Based Microporous Metal Organic Frameworks". United States. doi:10.1021/acs.chemmater.5b03792. https://www.osti.gov/servlets/purl/1340384.
@article{osti_1340384,
title = {Light Hydrocarbon Adsorption Mechanisms in Two Calcium-Based Microporous Metal Organic Frameworks},
author = {Plonka, Anna M. and Chen, Xianyin and Wang, Hao and Krishna, Rajamani and Dong, Xinglong and Banerjee, Debasis and Woerner, William R. and Han, Yu and Li, Jing and Parise, John B.},
abstractNote = {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 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 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.},
doi = {10.1021/acs.chemmater.5b03792},
journal = {Chemistry of Materials},
number = 6,
volume = 28,
place = {United States},
year = {2016},
month = {1}
}

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Works referencing / citing this record:

CCDC 1420581: Experimental Crystal Structure Determination: OKAYEG : catena-[(μ-4,4'-sulfonyldibenzoato)-calcium ethylene]
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CCDC 1420582: Experimental Crystal Structure Determination: OKAYIK : catena-[(μ-4,4'-sulfonyldibenzoato)-calcium ethane]
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