Phase Behaviour, Interactions, and Structural Studies of (Amines+Ionic Liquids) Binary Mixtures

Authors

  • Dr. Johan Jacquemin,

    Corresponding author
    1. The QUILL Research Centre, School of Chemistry and Chemical Engineering, Queen's University of Belfast, Stranmillis Road, Belfast BT9 5AG (United Kingdom), Fax: (+44) 28 9097 4687
    • The QUILL Research Centre, School of Chemistry and Chemical Engineering, Queen's University of Belfast, Stranmillis Road, Belfast BT9 5AG (United Kingdom), Fax: (+44) 28 9097 4687
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  • Dr. Magdalena Bendová,

    1. E. Hala Laboratory of Thermodynamics, Institute of Chemical Process Fundamentals ASCR, v.v.i. Prague, Rozvojova 135, 165 02 Prague 6 (Czech Republic)
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  • Dr. Zuzana Sedláková,

    1. E. Hala Laboratory of Thermodynamics, Institute of Chemical Process Fundamentals ASCR, v.v.i. Prague, Rozvojova 135, 165 02 Prague 6 (Czech Republic)
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  • Dr. Marijana Blesic,

    1. The QUILL Research Centre, School of Chemistry and Chemical Engineering, Queen's University of Belfast, Stranmillis Road, Belfast BT9 5AG (United Kingdom), Fax: (+44) 28 9097 4687
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  • Dr. John D. Holbrey,

    1. The QUILL Research Centre, School of Chemistry and Chemical Engineering, Queen's University of Belfast, Stranmillis Road, Belfast BT9 5AG (United Kingdom), Fax: (+44) 28 9097 4687
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  • Dr. Claire L. Mullan,

    1. The QUILL Research Centre, School of Chemistry and Chemical Engineering, Queen's University of Belfast, Stranmillis Road, Belfast BT9 5AG (United Kingdom), Fax: (+44) 28 9097 4687
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  • Dr. Tristan G. A. Youngs,

    1. The QUILL Research Centre, School of Chemistry and Chemical Engineering, Queen's University of Belfast, Stranmillis Road, Belfast BT9 5AG (United Kingdom), Fax: (+44) 28 9097 4687
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  • Laure Pison,

    1. Laboratoire Thermodynamique et Interactions Moléculaires, CNRS UMR 6272, Université Blaise Pascal, 24 avenue des Landais, 63177 Aubière Cedex (France)
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  • Dr. Zdeněk Wagner,

    1. E. Hala Laboratory of Thermodynamics, Institute of Chemical Process Fundamentals ASCR, v.v.i. Prague, Rozvojova 135, 165 02 Prague 6 (Czech Republic)
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  • Dr. Karel Aim,

    1. E. Hala Laboratory of Thermodynamics, Institute of Chemical Process Fundamentals ASCR, v.v.i. Prague, Rozvojova 135, 165 02 Prague 6 (Czech Republic)
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  • Prof. Margarida F. Costa Gomes,

    Corresponding author
    1. Laboratoire Thermodynamique et Interactions Moléculaires, CNRS UMR 6272, Université Blaise Pascal, 24 avenue des Landais, 63177 Aubière Cedex (France)
    • Laboratoire Thermodynamique et Interactions Moléculaires, CNRS UMR 6272, Université Blaise Pascal, 24 avenue des Landais, 63177 Aubière Cedex (France)
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  • Prof. Christopher Hardacre

    Corresponding author
    1. The QUILL Research Centre, School of Chemistry and Chemical Engineering, Queen's University of Belfast, Stranmillis Road, Belfast BT9 5AG (United Kingdom), Fax: (+44) 28 9097 4687
    • The QUILL Research Centre, School of Chemistry and Chemical Engineering, Queen's University of Belfast, Stranmillis Road, Belfast BT9 5AG (United Kingdom), Fax: (+44) 28 9097 4687
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Abstract

We present a study on the phase equilibrium behaviour of binary mixtures containing two 1-alkyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide-based ionic liquids, [Cnmim] [NTf2] (n=2 and 4), mixed with diethylamine or triethylamine as a function of temperature and composition using different experimental techniques. Based on this work, two systems showing an LCST and one system with a possible hourglass shape are measured. Their phase behaviours are then correlated and predicted by using Flory–Huggins equations and the UNIQUAC method implemented in Aspen. The potential of the COSMO-RS methodology to predict the phase equilibria was also tested for the binary systems studied. However, this methodology is unable to predict the trends obtained experimentally, limiting its use for systems involving amines in ionic liquids. The liquid-state structure of the binary mixture ([C2mim] [NTf2]+diethylamine) is also investigated by molecular dynamics simulation and neutron diffraction. Finally, the absorption of gaseous ethane by the ([C2mim][NTf2]+diethylamine) binary mixture is determined and compared with that observed in the pure solvents.

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