Predicting Mixture Coadsorption in Soft Porous Crystals: Experimental and Theoretical Study of CO2/CH4 in MIL-53(Al)

Abstract : We present a synergistic experimental and theoretical study of CO2/CH4 mixture coadsorption in breathing metal–organic framework MIL-53(Al). Mixture adsorption experiments were performed and their results were analyzed by comparing them to predictions made from pure-component adsorption data using the Osmotic Framework Adsorption Solution Theory (OFAST). This analytical model, fully validated for the first time, was then used to predict coadsorption properties as a function of temperature, pressure, and mixture composition. The phase diagrams obtained show a surprising non-monotonic behavior.
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Aurélie U. Ortiz, Anne Springuel-Huet, François-Xavier Coudert, Alain H. Fuchs, Anne Boutin. Predicting Mixture Coadsorption in Soft Porous Crystals: Experimental and Theoretical Study of CO2/CH4 in MIL-53(Al). Langmuir, American Chemical Society, 2012, 28 (1), pp.494-498. ⟨10.1021/la203925y⟩. ⟨hal-01468499⟩

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