Published in
American Chemical Society, Journal of the American Chemical Society, 10(131), p. 3442-3443, 2009
DOI: 10.1021/ja8094153
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Double Structural Transition in Hybrid Material MIL-53 upon Hydrocarbon Adsorption: The Thermodynamics Behind the Scenes
Journal article published in 2009 by
François-Xavier Coudert 
,
Caroline Mellot-Draznieks,
Alain H. Fuchs,
Boutin Anne
,
Caroline Mellot-Draznieks,
Alain H. Fuchs,
Boutin Anne
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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.