Room temperature ionic liquids (RTILs or, simply, ILs) are a group of organic salts with melting points below 100ºC, and very often below room temperature. These substances are receiving increasingly greater attention on account of their application as alternative solvents, due to their physicochemical properties. Among other interesting features, ILs show negligible vapor pressures, high thermal stabilities and ionic conductivities, and a wide temperature range in the liquid state. Besides, ILs are nonflammable and they usually display a good solvent ability towards a wide range of solutes. All these properties compare positively with most conventional organic solvents. In addition, ILs present an enormously large number of chemical compositions, with a virtually infinite number of possible ion pair combinations. Typically, ILs consist of a large organic cation with low symmetry (most often substituted imidazolium, pyridinium, and quaternary ammonium or phosphonium ions) combined with an enormously wide range of anions, usually of smaller size. Therefore, these substances offer a very wide range of thermophysical properties, which can (at least in principle) be “tuned” according to their particular composition. This has led to the concept of ILs as “tailor-made” or “designed” solvents for specific applications. Consequently, the extremely wide chemical variability of these solvents demands accurate theoretical models for the prediction of structure-activity relationships, as an aid for the design and synthesis of new ILs.

The present course reviews the properties of ILs and their applications from a multidisciplinar point of view, and covers subjects such as their synthesis, applications in chemical engineering and synthetic chemistry, as well as theoretical modelling.

Carlos Rey Castro
Universitat de Lleida
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Speakers:

Tom Welton
Department of Chemistry, Imperial College London (UK)
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João A. P. Coutinho
Departamento de Química, Universidade de Aveiro (Portugal)
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Jose Nuno Canongia Lopes
Departamento de Engenharia Química e Biológica,Universidade Técnica de Lisboa (Portugal)
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Mario Del Popolo
School of Mathematics and Physics, Queen's University Belfast (UK)
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Lourdes Vega
ICMAB-CISC and MATGAS (Barcelona)
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PROGRAM:

Download slides (members only)

9:30- Synthesis of ILs and their applications in Synthesis I, Tom Welton, Imperial College London (UK)

10:20- Synthesis of ILs and their applications in Synthesis II, Tom Welton, Imperial College London (UK)

11:10 Coffee-Break

11:40- Applications of ILs in Chemical Engineering and Green Chemistry I, João A. P. Coutinho, Universidade de Aveiro (Portugal)

12:30- Applications of ILs in Chemical Engineering and Green Chemistry II, <em">João A. P. Coutinho, Universidade de Aveiro (Portugal)

13:20 Lunch

14:50– Structural and thermodynamic properties of ionic liquids using Molecular Dynamics simulation I, Jose Nuno Canongia Lopes, Universidade Técnica de Lisboa (Portugal)

15:40- Structural and thermodynamic properties of ionic liquids using Molecular Dynamics simulation II, Jose Nuno Canongia Lopes, Universidade Técnica de Lisboa (Portugal)

16:30 - Coffee-Break

17:00– Multiscale modelling of ionic fluids: from electronic structure computations to charged-bead models, Mario Del Popolo, Queen's University Belfast (UK)

17:50– Simulating ionic liquids at interfaces, Mario Del Popolo, Queen's University Belfast (UK)

18:40– Theoretical Modelling of ILs, a statistical mechanics approach. Lourdes Vega, MATGAS (Barcelona)