Quasi-Elastic Neutron Scattering and Molecular Dynamics Study of Methane Diffusion in Metal Organic Frameworks MIL-47(V) and MIL-53(Cr)

Channel tunnel: Diffusion of methane in the metal–organic frameworks MIL‐53(Cr) and MIL‐47(V) was elucidated by quasi‐elastic neutron scattering and molecular dynamics simulation, and 1D diffusion of CH4 along the channels was found in both materials. The self‐diffusivity of methane at low loading i...

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Bibliographic Details
Published in:Angewandte Chemie International Edition 2008-08, Vol.47 (35), p.6611-6615
Main Authors: Rosenbach Jr, Nilton, Jobic, Hervé, Ghoufi, Aziz, Salles, Fabrice, Maurin, Guillaume, Bourrelly, Sandrine, Llewellyn, Philip L., Devic, Thomas, Serre, Christian, Férey, Gérard
Format: Article
Language:English
Subjects:
diffusion
metal-organic frameworks
methane
molecular dynamics
neutron diffraction
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Summary:Channel tunnel: Diffusion of methane in the metal–organic frameworks MIL‐53(Cr) and MIL‐47(V) was elucidated by quasi‐elastic neutron scattering and molecular dynamics simulation, and 1D diffusion of CH4 along the channels was found in both materials. The self‐diffusivity of methane at low loading is very large, more than one order of magnitude higher than in zeolites. The picture shows CH4 molecules in a MIL‐53(Cr) channel.
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.200801748