4.8 Article

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

Journal

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 131, Issue 10, Pages 3442-+

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/ja8094153

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Funding

  1. EPSRC
  2. FP-6 European [NMP4-CT-2006-032109]

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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.

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