Cooperative Adsorption by Porous Frameworks: Diffraction Experiment and Phenomenological Theory. Issue 70 (13th October 2017)

• Record Type: Journal Article
• Authors: Dovgaliuk, Iurii; Nouar, Farid; Serre, Christian; Filinchuk, Yaroslav; Chernyshov, Dmitry
• Is Part Of: Chemistry. Volume 23:Issue 70(2017)
• Page Start: 17714
• Page End: 17720
• Publication Date: 2017-10-13
• Subjects: cooperativity -- Ising lattice gas model -- metal-organic frameworks -- synchrotron diffraction -- thermodynamics; Chemistry -- Periodicals; 540
• DOI: 10.1002/chem.201702707
• Languages: English
• ISSNs: 0947-6539

Abstract

Abstract: Materials science of metal open frameworks is a state‐of‐the‐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 levels 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 long‐range 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. Abstract : Cooperate ! The elastic response of guest adsorption into γ‐Mg(BH4 )2 and MIL‐91(Ti) nanoporous frameworks were examined with in situ synchrotron X‐ray diffraction and analyzed with an adjusted mean field Gorsky–Bragg–Williams (GBW) approach for the lattice‐gas Ising model. The applied methods allow the determination of the thermodynamics of the guest adsorption in MOFs, not only for the total uptake but also for every specific guest site.