Transport Diffusivity of CO₂ in the Highly Flexible Metal-Organic Framework MIL-53(Cr)

Transport Diffusivity of CO₂ in the Highly Flexible Metal-Organic Framework MIL-53(Cr)

The diffusion mechanism of CO2 in the highly flexible metal–organic framework MIL‐53(Cr) (see picture), which undergoes a structural transition between large‐ and narrow‐pore forms, was explored by a combination of quasi‐elastic neutron scattering measurements and molecular dynamics simulations. Nor...

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Veröffentlicht in:Angewandte Chemie (International ed.) 2009-01, Vol.48 (44), p.8335-8339
Hauptverfasser: Salles, Fabrice, Jobic, Hervé, Ghoufi, Aziz, Llewellyn, Philip L, Serre, Christian, Bourrelly, Sandrine, Férey, Gérard, Maurin, Guillaume
Format: Artikel
Sprache:eng
Schlagworte:
carbon dioxide
Chemical Physics
diffusion
metal-organic frameworks
molecular dynamics
neutron diffraction
Physics
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Zusammenfassung:The diffusion mechanism of CO2 in the highly flexible metal–organic framework MIL‐53(Cr) (see picture), which undergoes a structural transition between large‐ and narrow‐pore forms, was explored by a combination of quasi‐elastic neutron scattering measurements and molecular dynamics simulations. Normal one‐dimensional diffusion in the large‐pore form and single‐file one‐dimensional diffusion in the narrow‐pore form were evidenced.
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.200902998