title: Double structural transition in hybrid material MIL-53 upon hydrocarbon adsorption: the thermodynamics behind the scenes.
abstract: 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.
authors.affiliation: Ecole Nationale Supérieure de Chimie de Paris (Chimie ParisTech), CNRS and Univ. Pierre et Marie Curie, 11 rue Curie, F-75005 Paris, France.
authors.forename: François-Xavier
authors.initials: FX
authors.lastname: Coudert
authors.forename: Caroline
authors.initials: C
authors.lastname: Mellot-Draznieks
authors.forename: Alain H
authors.initials: AH
authors.lastname: Fuchs
authors.forename: Anne
authors.initials: A
authors.lastname: Boutin