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An Evaluation of UiO-66 for Gas-Based Applications

Authors

  • Andrew D. Wiersum,

    1. Laboratoire Chimie Provence (UMR 6264), Universités Aix-Marseille I, II et III - CNRS, Centre de Saint Jérôme, 13397 Marseille cedex 20 (France), Fax: (+33) 491-637-111
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  • Estelle Soubeyrand-Lenoir,

    1. Laboratoire Chimie Provence (UMR 6264), Universités Aix-Marseille I, II et III - CNRS, Centre de Saint Jérôme, 13397 Marseille cedex 20 (France), Fax: (+33) 491-637-111
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  • Dr. Qingyuan Yang,

    1. Institut Charles Gerhardt Montpellier (UMR 5253), Université Montpellier II, CNRS, ENSCM, Place E. Bataillon, 34095 Montpellier cedex 05 (France), Fax: (+33) 4 67 14 42 90
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  • Dr. Beatrice Moulin,

    1. Laboratoire Catalyse et Spectrochimie, ENSICAEN, Université de Caen, CNRS, 6 Bd Maréchal Juin, 14050 Caen (France)
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  • Vincent Guillerm,

    1. Institut Lavoisier (CNRS 8180), CNRS - Université de Versailles St Quentin en Yvelines, 45 avenue des Etats-Unis, 78035 Versailles (France)
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  • Dr. Mouna Ben Yahia,

    1. Institut Charles Gerhardt Montpellier (UMR 5253), Université Montpellier II, CNRS, ENSCM, Place E. Bataillon, 34095 Montpellier cedex 05 (France), Fax: (+33) 4 67 14 42 90
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  • Dr. Sandrine Bourrelly,

    1. Laboratoire Chimie Provence (UMR 6264), Universités Aix-Marseille I, II et III - CNRS, Centre de Saint Jérôme, 13397 Marseille cedex 20 (France), Fax: (+33) 491-637-111
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  • Dr. Alexandre Vimont,

    1. Laboratoire Catalyse et Spectrochimie, ENSICAEN, Université de Caen, CNRS, 6 Bd Maréchal Juin, 14050 Caen (France)
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  • Dr. Stuart Miller,

    1. Institut Lavoisier (CNRS 8180), CNRS - Université de Versailles St Quentin en Yvelines, 45 avenue des Etats-Unis, 78035 Versailles (France)
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  • Dr. Christelle Vagner,

    1. Laboratoire Chimie Provence (UMR 6264), Universités Aix-Marseille I, II et III - CNRS, Centre de Saint Jérôme, 13397 Marseille cedex 20 (France), Fax: (+33) 491-637-111
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  • Prof. Marco Daturi,

    1. Laboratoire Catalyse et Spectrochimie, ENSICAEN, Université de Caen, CNRS, 6 Bd Maréchal Juin, 14050 Caen (France)
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  • Dr. Guillaume Clet,

    1. Laboratoire Catalyse et Spectrochimie, ENSICAEN, Université de Caen, CNRS, 6 Bd Maréchal Juin, 14050 Caen (France)
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  • Dr. Christian Serre,

    1. Institut Lavoisier (CNRS 8180), CNRS - Université de Versailles St Quentin en Yvelines, 45 avenue des Etats-Unis, 78035 Versailles (France)
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  • Dr. Guillaume Maurin,

    Corresponding author
    1. Institut Charles Gerhardt Montpellier (UMR 5253), Université Montpellier II, CNRS, ENSCM, Place E. Bataillon, 34095 Montpellier cedex 05 (France), Fax: (+33) 4 67 14 42 90
    • Institut Charles Gerhardt Montpellier (UMR 5253), Université Montpellier II, CNRS, ENSCM, Place E. Bataillon, 34095 Montpellier cedex 05 (France), Fax: (+33) 4 67 14 42 90
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  • Dr. Philip L. Llewellyn

    Corresponding author
    1. Laboratoire Chimie Provence (UMR 6264), Universités Aix-Marseille I, II et III - CNRS, Centre de Saint Jérôme, 13397 Marseille cedex 20 (France), Fax: (+33) 491-637-111
    • Laboratoire Chimie Provence (UMR 6264), Universités Aix-Marseille I, II et III - CNRS, Centre de Saint Jérôme, 13397 Marseille cedex 20 (France), Fax: (+33) 491-637-111
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Abstract

In addition to its high thermal stability, repetitive hydration/dehydration tests have revealed that the porous zirconium terephthalate UiO-66 switches reversibly between its dehydroxylated and hydroxylated versions. The structure of its dehydroxylated form has thus been elucidated by coupling molecular simulations and X-ray powder diffraction data. Infrared measurements have shown that relatively weak acid sites are available while microcalorimetry combined with Monte Carlo simulations emphasize moderate interactions between the UiO-66 surface and a wide range of guest molecules including CH4, CO, and CO2. These properties, in conjunction with its significant adsorption capacity, make UiO-66 of interest for its further evaluation for CO2 recovery in industrial applications. This global approach suggests a strategy for the evaluation of metal–organic frameworks for gas-based applications.

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