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CM 1206 Exchange on Ionic liquids

CM 1206 Exchange on Ionic liquids. Working G roup 2 Chemical and Physical Properties of Ionic Liquids. http://www.usc.es/exil. CM 1206 Exchange on Ionic liquids. Working G roup 2 Chemical and Physical Properties of Ionic Liquids. Fundamental understanding of IL interactions

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CM 1206 Exchange on Ionic liquids

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  1. CM 1206 Exchange on Ionicliquids Working Group 2Chemical andPhysical Properties ofIonicLiquids http://www.usc.es/exil

  2. CM 1206 Exchange on Ionicliquids Working Group 2Chemical andPhysical Properties ofIonicLiquids • 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

  3. CM 1206 Exchange on Ionicliquids Working Group 2Chemical andPhysical Properties ofIonicLiquids Margarida Costa Gomes Institut de chimie de Clermont-Ferrand Universite Blaise Pascal / CNRS Clermont-Ferrand Phone: +33 47340 7205 Fax: +33 47340 7185 Email: margarida.c.gomes@univ-bpclermont.fr Christian Schröder Institute ofComputational Biological Chemistry University of Vienna Phone: +43 14277 52711 Fax: +43 14277 852711 Email: christian.schroeder@univie.ac.at

  4. CM 1206 Exchange on Ionicliquids Margarida Costa Gomes • Experimental thermodynamics • Solvation in ionicliquids • Gas-liquid and liquid-liquid equilibria • Energeticsof solvation • Solvation-structurerelationships • Interactions ionic liquid- material • Transport properties • Viscosity • Ionicconductivityanddiffusioncoefficients • Ionicliquids in theenvironment • Partition coefficients • Transport in theaqueouscompartiment

  5. CM 1206 Exchange on Ionicliquids Christian Schröder • Polarizable MD simulations • Drude oscillators • Point-induceddipoles • Biomolecularsolvation in IL / H2O mixtures • Protein solvation • Small biomolecules • Withoutsolute • Computationalspectroscopy • Dielectricspectra • Solvationdynamicsspectroscopy • (OKE spectroscopy)

  6. CM 1206 Exchange on Ionicliquids Activitiesof Working Group 2 • Contact with the members of the Management Committee • Contact between European PIs and the WG2 leaders • Extension of the network • 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

  7. CM 1206 Exchange on Ionicliquids First Round 2013 – Short Term Scientific Missions • Probingdynamicsof ILs by solvation andphotoncorrelationspectroscopy • Extractionofpharmaceuticalsusingaqueousbiphasicsystems • Chemi- andphysisorptionof CO2 in ILs • Viscosimetriccharacterizationof ILs at high pressures • Heterogeneousdynamicsof ILs studiedwithpolarizable MD simulations • Interactions andstructure in IL solutions

  8. CM 1206 Exchange on Ionicliquids CECAM workshop Working Group 2 meeting Spring 2014 in Lausanne, Switzerland Multiscalemodelingof ILs: Fromquantummethodstocoarse-grainedmodels Organizers: Agilio Padua, France Jose Canongia Lopes, Portugal Invited Speakers: 17 invited speakers from Europe, USA, India, Brazil and Australia.

  9. CM 1206 Exchange on Ionicliquids Workshops, Group projects (EU funded?), Publications ... Other ideas? Structureofionic liquid solutionsby NMR andsimulation Measurement andmodellingoftransportproperties Contributiontodatabases on propertiesofionicliquids Interactions betweenionicliquidsandmaterials (polymers, materials,...) Connection toother WG – jointmeetings?

  10. CM 1206 Exchange on Ionicliquids Working Group 2Chemical andPhysical Properties ofIonicLiquids 15:30 – 15:45 Introduction 15:45 – 15:55 Monitoring interactions in Ils usingvibrationalspectroscopyDracopoulos 15:55 – 16:05 On theroleof X-rayandneutronscatteringtoTriolo describestructureanddynamics in ILs 16:05 – 16:15 Dynamic light scatteringBlochowicz 16:15 – 16:25 Lithium solvation in proticionicliquidsVarela 16:25 – 16:35 Electrochemicalreactivity in ionicliquidsLagrost 16:35 – 16:45 Extractionpropertiesfrom experimental studies on limitingDomanska activitycoefficientsofvarioussolutes in ILs 16:45 – 16:55 LTPEP: Equipment andmeasuringrangesMylona

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