TY - JOUR
T1 - Light Hydrocarbon Adsorption Mechanisms in Two Calcium-Based Microporous Metal Organic Frameworks
AU - Plonka, Anna M.
AU - Chen, Xianyin
AU - Wang, Hao
AU - Krishna, Rajamani
AU - Dong, Xinglong
AU - Banerjee, Debasis
AU - Woerner, William R.
AU - Han, Yu
AU - Li, Jing
AU - Parise, John B.
N1 - Funding Information:
Synthetic strategies for development of SBMOF-2, SCXRD and DSC-XRD characterization work, and analysis of synchrotron data at Stony Brook by A.M.P., X.C., J.B.P., and W.R.W were supported by National Science Foundation Grant DMR-1231586. Structures of SBMOF-1:C2H2, SBMOF-1:C2H4, SBMOF-2:C2H2, and SBMOF-2:C2H4 were determined using the Stony Brook University single crystal diffractometer, obtained through the support of the NSF (Grant CHE-0840483). Structures of SBMOF-1:C2H6 and SBMOF-2:C2H6 were determined in ChemMatCars (Sector 15), Advanced Photon Source (APS), principally supported by the National Science Foundation/Department of Energy (NSF/CHE-0822838). Use of APS was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract DE-AC02-06CH11357. The RU team acknowledges partial support for the gas adsorption work and IAST calculations by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, through Grant DEFG02-08ER46491. Y.H. thanks KAUST for the Competitive Research Funds under Awards URF/1/1672-01-01.
Publisher Copyright:
© 2016 American Chemical Society.
PY - 2016/3/22
Y1 - 2016/3/22
N2 - 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. 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.
AB - 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. 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.
UR - http://www.scopus.com/inward/record.url?scp=84962071002&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84962071002&partnerID=8YFLogxK
U2 - 10.1021/acs.chemmater.5b03792
DO - 10.1021/acs.chemmater.5b03792
M3 - Article
AN - SCOPUS:84962071002
VL - 28
SP - 1636
EP - 1646
JO - Chemistry of Materials
JF - Chemistry of Materials
SN - 0897-4756
IS - 6
ER -