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

Handle URI:
http://hdl.handle.net/10754/595376
Title:
Light Hydrocarbons Adsorption Mechanisms in Two Calcium-based Microporous Metal Organic Frameworks
Authors:
Plonka, Anna M.; Chen, Xianyin; Wang, Hao; Krishna, Rajamani; Dong, Xinglong ( 0000-0001-6478-8819 ) ; Banerjee, Debasis; Woerner, William R.; Han, Yu ( 0000-0003-1462-1118 ) ; Li, Jing; Parise, John B.
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.
KAUST Department:
Physical Sciences and Engineering (PSE) Division
Citation:
Light Hydrocarbons Adsorption Mechanisms in Two Calcium-based Microporous Metal Organic Frameworks 2016 Chemistry of Materials
Publisher:
American Chemical Society (ACS)
Journal:
Chemistry of Materials
Issue Date:
25-Jan-2016
DOI:
10.1021/acs.chemmater.5b03792
Type:
Article
ISSN:
0897-4756; 1520-5002
Is Supplemented By:
Plonka, A. M., Chen, X., Wang, H., Krishna, R., Dong, X., Banerjee, D., … Parise, J. B. (2016). CCDC 1420580: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1jp75m; DOI:10.5517/ccdc.csd.cc1jp75m; HANDLE:http://hdl.handle.net/10754/624515; Plonka, A. M., Chen, X., Wang, H., Krishna, R., Dong, X., Banerjee, D., … Parise, J. B. (2016). CCDC 1420581: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1jp76n; DOI:10.5517/ccdc.csd.cc1jp76n; HANDLE:http://hdl.handle.net/10754/624516; Plonka, A. M., Chen, X., Wang, H., Krishna, R., Dong, X., Banerjee, D., … Parise, J. B. (2016). CCDC 1420582: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1jp77p; DOI:10.5517/ccdc.csd.cc1jp77p; HANDLE:http://hdl.handle.net/10754/624517; Plonka, A. M., Chen, X., Wang, H., Krishna, R., Dong, X., Banerjee, D., … Parise, J. B. (2016). CCDC 1420583: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1jp78q; DOI:10.5517/ccdc.csd.cc1jp78q; HANDLE:http://hdl.handle.net/10754/624518; Plonka, A. M., Chen, X., Wang, H., Krishna, R., Dong, X., Banerjee, D., … Parise, J. B. (2016). CCDC 1420584: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1jp79r; DOI:10.5517/ccdc.csd.cc1jp79r; HANDLE:http://hdl.handle.net/10754/624519; Plonka, A. M., Chen, X., Wang, H., Krishna, R., Dong, X., Banerjee, D., … Parise, J. B. (2016). CCDC 1420585: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1jp7bs; DOI:10.5517/ccdc.csd.cc1jp7bs; HANDLE:http://hdl.handle.net/10754/624520
Additional Links:
http://pubs.acs.org/doi/abs/10.1021/acs.chemmater.5b03792
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division

Full metadata record

DC FieldValue Language
dc.contributor.authorPlonka, Anna M.en
dc.contributor.authorChen, Xianyinen
dc.contributor.authorWang, Haoen
dc.contributor.authorKrishna, Rajamanien
dc.contributor.authorDong, Xinglongen
dc.contributor.authorBanerjee, Debasisen
dc.contributor.authorWoerner, William R.en
dc.contributor.authorHan, Yuen
dc.contributor.authorLi, Jingen
dc.contributor.authorParise, John B.en
dc.date.accessioned2016-02-01T13:57:34Zen
dc.date.available2016-02-01T13:57:34Zen
dc.date.issued2016-01-25en
dc.identifier.citationLight Hydrocarbons Adsorption Mechanisms in Two Calcium-based Microporous Metal Organic Frameworks 2016 Chemistry of Materialsen
dc.identifier.issn0897-4756en
dc.identifier.issn1520-5002en
dc.identifier.doi10.1021/acs.chemmater.5b03792en
dc.identifier.urihttp://hdl.handle.net/10754/595376en
dc.description.abstractThe 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.en
dc.language.isoenen
dc.publisherAmerican Chemical Society (ACS)en
dc.relation.urlhttp://pubs.acs.org/doi/abs/10.1021/acs.chemmater.5b03792en
dc.rightsThis document is the Accepted Manuscript version of a Published Work that appeared in final form in Chemistry of Materials, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://pubs.acs.org/doi/abs/10.1021/acs.chemmater.5b03792.en
dc.titleLight Hydrocarbons Adsorption Mechanisms in Two Calcium-based Microporous Metal Organic Frameworksen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.identifier.journalChemistry of Materialsen
dc.eprint.versionPost-printen
dc.contributor.institutionDepartment of Geosciences, Stony Brook University, Stony Brook, 11794 NY, USAen
dc.contributor.institutionDepartment of Chemistry, Stony Brook University, Stony Brook, 11794 NY, USAen
dc.contributor.institutionDepartment of Chemistry and Chemical Biology, Rutgers University, Piscataway, 08854 NJ, USAen
dc.contributor.institutionVan‘t Hoff Institute for Molecular Sciences, University of Amsterdam, Science Park 904, 1098 XH Amsterdam, The Netherlandsen
dc.contributor.institutionPhoton Sciences, Brookhaven National Laboratory, Upton, NY 11973, USAen
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
kaust.authorDong, Xinglongen
kaust.authorHan, Yuen
dc.relation.isSupplementedByPlonka, A. M., Chen, X., Wang, H., Krishna, R., Dong, X., Banerjee, D., … Parise, J. B. (2016). CCDC 1420580: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1jp75men
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dc.relation.isSupplementedByPlonka, A. M., Chen, X., Wang, H., Krishna, R., Dong, X., Banerjee, D., … Parise, J. B. (2016). CCDC 1420582: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1jp77pen
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dc.relation.isSupplementedByPlonka, A. M., Chen, X., Wang, H., Krishna, R., Dong, X., Banerjee, D., … Parise, J. B. (2016). CCDC 1420583: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1jp78qen
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dc.relation.isSupplementedByPlonka, A. M., Chen, X., Wang, H., Krishna, R., Dong, X., Banerjee, D., … Parise, J. B. (2016). CCDC 1420584: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1jp79ren
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dc.relation.isSupplementedByPlonka, A. M., Chen, X., Wang, H., Krishna, R., Dong, X., Banerjee, D., … Parise, J. B. (2016). CCDC 1420585: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1jp7bsen
dc.relation.isSupplementedByDOI:10.5517/ccdc.csd.cc1jp7bsen
dc.relation.isSupplementedByHANDLE:http://hdl.handle.net/10754/624520en
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