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dc.contributor.authorPlonka, Anna M.
dc.contributor.authorChen, Xianyin
dc.contributor.authorWang, Hao
dc.contributor.authorKrishna, Rajamani
dc.contributor.authorDong, Xinglong
dc.contributor.authorBanerjee, Debasis
dc.contributor.authorWoerner, William R.
dc.contributor.authorHan, Yu
dc.contributor.authorLi, Jing
dc.contributor.authorParise, John B.
dc.date.accessioned2016-02-01T13:57:34Z
dc.date.available2016-02-01T13:57:34Z
dc.date.issued2016-03
dc.identifier.citationLight Hydrocarbons Adsorption Mechanisms in Two Calcium-based Microporous Metal Organic Frameworks 2016 Chemistry of Materials
dc.identifier.issn0897-4756
dc.identifier.issn1520-5002
dc.identifier.doi10.1021/acs.chemmater.5b03792
dc.identifier.urihttp://hdl.handle.net/10754/595376
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.
dc.language.isoen
dc.publisherAmerican Chemical Society (ACS)
dc.relation.urlhttp://pubs.acs.org/doi/abs/10.1021/acs.chemmater.5b03792
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.
dc.titleLight Hydrocarbons Adsorption Mechanisms in Two Calcium-based Microporous Metal Organic Frameworks
dc.typeArticle
dc.contributor.departmentAdvanced Membranes and Porous Materials Research Center
dc.contributor.departmentChemical Science Program
dc.contributor.departmentNanostructured Functional Materials (NFM) laboratory
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalChemistry of Materials
dc.eprint.versionPost-print
dc.contributor.institutionDepartment of Geosciences, Stony Brook University, Stony Brook, 11794 NY, USA
dc.contributor.institutionDepartment of Chemistry, Stony Brook University, Stony Brook, 11794 NY, USA
dc.contributor.institutionDepartment of Chemistry and Chemical Biology, Rutgers University, Piscataway, 08854 NJ, USA
dc.contributor.institutionVan‘t Hoff Institute for Molecular Sciences, University of Amsterdam, Science Park 904, 1098 XH Amsterdam, The Netherlands
dc.contributor.institutionPhoton Sciences, Brookhaven National Laboratory, Upton, NY 11973, USA
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)
kaust.personDong, Xinglong
kaust.personHan, Yu
dc.relation.issupplementedbyDOI:10.5517/ccdc.csd.cc1jp75m
dc.relation.issupplementedbyDOI:10.5517/ccdc.csd.cc1jp76n
dc.relation.issupplementedbyDOI:10.5517/ccdc.csd.cc1jp77p
dc.relation.issupplementedbyDOI:10.5517/ccdc.csd.cc1jp78q
dc.relation.issupplementedbyDOI:10.5517/ccdc.csd.cc1jp79r
dc.relation.issupplementedbyDOI:10.5517/ccdc.csd.cc1jp7bs
refterms.dateFOA2017-01-25T00:00:00Z
display.relations<b> Is Supplemented By:</b> <br/> <ul><li><i>[Dataset]</i> <br/> 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: <a href="https://doi.org/10.5517/ccdc.csd.cc1jp75m">10.5517/ccdc.csd.cc1jp75m</a> HANDLE: <a href="http://hdl.handle.net/10754/624515">10754/624515</a></li><li><i>[Dataset]</i> <br/> 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: <a href="https://doi.org/10.5517/ccdc.csd.cc1jp76n">10.5517/ccdc.csd.cc1jp76n</a> HANDLE: <a href="http://hdl.handle.net/10754/624516">10754/624516</a></li><li><i>[Dataset]</i> <br/> 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: <a href="https://doi.org/10.5517/ccdc.csd.cc1jp77p">10.5517/ccdc.csd.cc1jp77p</a> HANDLE: <a href="http://hdl.handle.net/10754/624517">10754/624517</a></li><li><i>[Dataset]</i> <br/> 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: <a href="https://doi.org/10.5517/ccdc.csd.cc1jp78q">10.5517/ccdc.csd.cc1jp78q</a> HANDLE: <a href="http://hdl.handle.net/10754/624518">10754/624518</a></li><li><i>[Dataset]</i> <br/> 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: <a href="https://doi.org/10.5517/ccdc.csd.cc1jp79r">10.5517/ccdc.csd.cc1jp79r</a> HANDLE: <a href="http://hdl.handle.net/10754/624519">10754/624519</a></li><li><i>[Dataset]</i> <br/> 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: <a href="https://doi.org/10.5517/ccdc.csd.cc1jp7bs">10.5517/ccdc.csd.cc1jp7bs</a> HANDLE: <a href="http://hdl.handle.net/10754/624520">10754/624520</a></li></ul>
dc.date.published-online2016-03
dc.date.published-print2016-03-22


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