Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal–Organic Framework
da Silva, Ivan
Carter, Joseph H.
Fitch, Andrew N.
David, William I. F.
KAUST DepartmentPhysical Sciences and Engineering (PSE) Division
Permanent link to this recordhttp://hdl.handle.net/10754/618996
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AbstractThe key requirement for a portable store of natural gas is to maximize the amount of gas within the smallest possible space. The packing of methane (CH4) in a given storage medium at the highest possible density is, therefore, a highly desirable but challenging target. We report a microporous hydroxyl-decorated material, MFM-300(In) (MFM = Manchester Framework Material, replacing the NOTT designation), which displays a high volumetric uptake of 202 v/v at 298 K and 35 bar for CH4 and 488 v/v at 77 K and 20 bar for H2. Direct observation and quantification of the location, binding, and rotational modes of adsorbed CH4 and H2 molecules within this host have been achieved, using neutron diffraction and inelastic neutron scattering experiments, coupled with density functional theory (DFT) modeling. These complementary techniques reveal a very efficient packing of H2 and CH4 molecules within MFM-300(In), reminiscent of the condensed gas in pure component crystalline solids. We also report here, for the first time, the experimental observation of a direct binding interaction between adsorbed CH4 molecules and the hydroxyl groups within the pore of a material. This is different from the arrangement found in CH4/water clathrates, the CH4 store of nature.
CitationObservation of Binding and Rotation of Methane and Hydrogen within a Functional Metal–Organic Framework 2016, 138 (29):9119 Journal of the American Chemical Society
SponsorsWe thank the Universities of Manchester and Nottingham for funding. M.S. acknowledges receipt of an EPSRC Program Grant and ERC Advanced Grant. E.B. acknowledges receipt of an ERC Starter Grant. We are especially grateful to STFC and the ISIS Facility for access to TOSCA and WISH Beamlines, to Diamond Light Source for access to Beamline I11, and to the European Synchrotron Radiation Facility for access to Beamline ID31. INS simulations were carried out using the high performance computing resources at the ILL.
PublisherAmerican Chemical Society (ACS)