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Transport Diffusivity of CO 2 in the Highly Flexible Metal–Organic Framework MIL‐53(Cr)
Author(s) -
Salles Fabrice,
Jobic Hervé,
Ghoufi Aziz,
Llewellyn Philip L.,
Serre Christian,
Bourrelly Sandrine,
Férey Gérard,
Maurin Guillaume
Publication year - 2009
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200902998
Subject(s) - thermal diffusivity , diffusion , neutron scattering , metal organic framework , materials science , mechanism (biology) , computer science , scattering , chemical physics , chemistry , physics , thermodynamics , optics , adsorption , quantum mechanics
The diffusion mechanism of CO 2 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.