Double Structural Transition in Hybrid Material MIL-53 upon Hydrocarbon Adsorption: The Thermodynamics Behind the Scenes

Double structural transition in hybrid material MIL-53 upon hydrocarbon adsorption: the thermodynamics behind the scenes.

We rationalize the thermodynamics behind the guest-induced structural transitions of hybrid material MIL-53, showing that the existence of a double transition depends on the relative guest affinities for the two phases, rather than absolute adsorption enthalpies. Based on a simple model, we interpret recent experimental data on alkane adsorption and predict transition pressures.

Reversible structural transition in MIL-53 with large temperature hysteresis.

The metal-organic framework, MIL-53, can have a structural transition from an open-pored to a closed-pored structure by adsorbing different guest molecules. The aid of guest molecules is believed to be necessary to initiate this "breathing" effect. Using both neutron powder diffraction and inelastic neutron scattering techniques, we find that MIL-53 exhibits a reversible structural transition b...

The Behavior of Flexible MIL-53(Al) upon CH4 and CO2 Adsorption

Anne Boutin,† François-Xavier Coudert,‡ Marie-Anne Springuel-Huet,§ Alexander V. Neimark,‡,| Gérard Férey,⊥ and Alain H. Fuchs*,‡ Chemistry Department, École Normale Supérieure, CNRS and UniV. Pierre et Marie Curie, 24 rue Lhomond, 75231 Paris cedex 05, France, CNRS, Chimie ParisTech and UniV. Pierre et Marie Curie, 11 rue Pierre et Marie Curie, 75005 Paris, France, Laboratoire de Chimie de la ...

behind the scenes of surrogacy

Complex adsorption of short linear alkanes in the flexible metal-organic-framework MIL-53(Fe).

This investigation is based on a combination of experimental tools completed by a computational approach to deeply characterize the unusual adsorption behavior of the flexible MIL-53(Fe) in the presence of short linear alkanes. In contrast to the aluminum or chromium analogues we previously reported, the iron MIL-53 solid, which initially exhibits a closed structure in the dry state, shows more...