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.
Complete list of metadatas

https://hal.archives-ouvertes.fr/hal-00378707
Contributor : François-Xavier Coudert <>
Submitted on : Thursday, May 23, 2019 - 12:09:58 PM
Last modification on : Wednesday, May 29, 2019 - 10:45:32 AM

File

postprint.pdf
Files produced by the author(s)

Identifiers

Collections

Citation

François-Xavier Coudert, Caroline Mellot-Draznieks, Alain H. Fuchs, Anne Boutin. Double Structural Transition in Hybrid Material MIL-53 upon Hydrocarbon Adsorption: The Thermodynamics Behind the Scenes. Journal of the American Chemical Society, American Chemical Society, 2009, 131 (10), pp.3442-3443. ⟨10.1021/ja8094153⟩. ⟨hal-00378707⟩

Share

Metrics

Record views

115

Files downloads

8