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Cooperative Adsorption by Porous Frameworks: Diffraction Experiment and Phenomenological Theory

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Dovgaliuk, Iurii [Swiss-Norwegian Beamlines at the ESR Grenoble (France)] Nouar, Farid [Université de Versailles (France)] Serre, Christian [Université de Versailles (France)] Filinchuk, Yaroslav [UCL] Chernyshov, Dmitry [Swiss-Norwegian Beamlines at the ESR Grenoble (France)]

Materials science of metal open frameworks is a state-ofthe-art field for numerous applications, such as gas storage, sensors and medicine. Two nanoporous frameworks, γ-Mg(BH4)2 and MIL-91(Ti), with different level of structural flexibility were examined with in situ X-ray diffraction guest adsorption-desorption experiments. Both frameworks exhibit a cooperative guest adsorption correlated with a lattice deformation. This cooperativity originates from the longrange interactions between guest molecules mediated by elastic response of the host porous structure. The observed experimental scenarios are rationalized with a mean field Gorsky-Bragg-Williams (GBW) approach for the lattice-gas Ising model. The adjusted GBW model, in combination with in situ synchrotron powder diffraction, demonstrates an efficient experimental and phenomenological approach to characterize thermodynamics of the adsorption in MOFs not only for the total uptake but also for every specific guest site.

Document type Article de périodique (Journal article) – Article de recherche
Access type Accès restreint
Publication date 2017
Language Anglais
Journal information "Chemistry: A European Journal" - Vol. 23, p. 1-8
Peer reviewed yes
Publisher Wiley - V C H Verlag GmbH & Co. KGaA (Weinheim)
issn 0947-6539
e-issn 1521-3765
Publication status Publié
Affiliation UCL - IMCN-MOST
Links
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Bibliographic reference Dovgaliuk, Iurii ; Nouar, Farid ; Serre, Christian ; Filinchuk, Yaroslav ; Chernyshov, Dmitry. Cooperative Adsorption by Porous Frameworks: Diffraction Experiment and Phenomenological Theory. In: Chemistry: A European Journal, Vol. 23, p. 1-8
Permanent URL http://hdl.handle.net/2078.1/189583