CM 1206 Exchange on Ionic liquids Working Group 2 Chemical and Physical Properties of Ionic Liquids 1.

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CM 1206 Exchange on Ionic liquids Working Group 2 Chemical and Physical Properties of Ionic Liquids 1

CM 1206 Exchange on Ionic liquids Fundamental understanding of IL interactions between cations and anions between IL ions and solutes at surfaces Determination of physicochemical properties Pure ILs Mixtures with co-solvents Modelling Computer-aided design Analysis of structural ordering (at surfaces) Computation and prediction of physico-chemical properties Working Group 2 Chemical and Physical Properties of Ionic Liquids 2

CM 1206 Exchange on Ionic liquids Margarida Costa Gomes Institut de chimie de Clermont-Ferrand Universite Blaise Pascal / CNRS Clermont-Ferrand Phone: Fax: Christian Schröder Institute of Computational Biological Chemistry University of Vienna Phone: Fax: Working Group 2 Chemical and Physical Properties of Ionic Liquids 3

CM 1206 Exchange on Ionic liquids Margarida Costa Gomes Experimental thermodynamics Solvation in ionic liquids Gas-liquid and liquid-liquid equilibria Energetics of solvation Solvation-structure relationships Interactions ionic liquid- material Transport properties Viscosity Ionic conductivity and diffusion coefficients Ionic liquids in the environment Partition coefficients Transport in the aqueous compartiment 4

CM 1206 Exchange on Ionic liquids Christian Schröder Polarizable MD simulations Drude oscillators Point-induced dipoles Biomolecular solvation in IL / H 2 O mixtures Protein solvation Small biomolecules Without solute Computational spectroscopy Dielectric spectra Solvation dynamics spectroscopy (OKE spectroscopy) 5

CM 1206 Exchange on Ionic liquids Activities of Working Group 2 1.Contact with the members of the Management Committee 2.Contact between European PIs and the WG2 leaders 3.Extension of the network 4.Communication through a newsletter Approximately every three month (date will be fixed on the web page) News from the management committee Upcoming workshops / working group meetings Call for actions: Topics for the next working group meeting STSM in the frame Evaluation of physico-chemical properties 6

CM 1206 Exchange on Ionic liquids First Round 2013 – Short Term Scientific Missions Probing dynamics of ILs by solvation and photon correlation spectroscopy Extraction of pharmaceuticals using aqueous biphasic systems Chemi- and physisorption of CO 2 in ILs Viscosimetric characterization of ILs at high pressures Heterogeneous dynamics of ILs studied with polarizable MD simulations Interactions and structure in IL solutions 7

CM 1206 Exchange on Ionic liquids CECAM workshop Working Group 2 meeting Multiscale modeling of ILs: From quantum methods to coarse-grained models Spring 2014 in Lausanne, Switzerland 8 Organizers: Agilio Padua, France Jose Canongia Lopes, Portugal Invited Speakers:17 invited speakers from Europe, USA, India, Brazil and Australia.

CM 1206 Exchange on Ionic liquids Other ideas? Structure of ionic liquid solutions by NMR and simulation 9 Measurement and modelling of transport properties Contribution to databases on properties of ionic liquids Interactions between ionic liquids and materials (polymers, materials,...) Connection to other WG – joint meetings? Workshops, Group projects (EU funded?), Publications...

10 CM 1206 Exchange on Ionic liquids Working Group 2 Chemical and Physical Properties of Ionic Liquids 15:30 – 15:45 Introduction 15:45 – 15:55 Monitoring interactions in Ils using vibrational spectroscopy Dracopoulos 15:55 – 16:05 On the role of X-ray and neutron scattering to Triolo describe structure and dynamics in ILs 16:05 – 16:15 Dynamic light scattering Blochowicz 16:15 – 16:25 Lithium solvation in protic ionic liquids Varela 16:25 – 16:35 Electrochemical reactivity in ionic liquids Lagrost 16:35 – 16:45 Extraction properties from experimental studies on limiting Domanska activity coefficients of various solutes in ILs 16:45 – 16:55 LTPEP: Equipment and measuring ranges Mylona