Interactions and structuring of ionic liquids with solutes, nanoparticles and at interfaces

International audienc

Exploring structure and solvation in ionic liquids using molecular simulation

plenary lectur

Interactions and structure of ionic liquids: experiments and simulation

plenary lectur

Molecular Thermodynamics: Understanding the Interactions and Properties of Ionic Liquids.

International audienceMolecular thermodynamics is essentially the application of statistical mechanics to calculate thermodynamic and transport properties of fluids and materials. Compared to classical thermodynamics, which is general and macroscopic, molecular thermodynamics is based on an understanding of the structures and interactions at the molecular level, to model important quantities and phenomena in chemistry, engineering, environmental and life sciences.Major developments of recent years have been the advances in theoretical chemistry, which is necessary to describe intermolecular forces, and molecular simulation, which allows to study the collective behaviour of many thousands of particles. Some examples from an area that is active today, the field of ionic liquids, will illustrate the exploratory role of molecular simulation in the discovery of the fascinating properties of these new liquids

Introduction au dimensionnement

Ch.

Ionic liquids: molecular interactions, solvation, interfaces

International audienc

Interactions and structure of room-temperature ionic liquids with metallic nanoparticles and surfaces

International audienc

Interactions of ionic liquids with metals: friction at surfaces and solvation of nanoparticles

oral communicatio

Interactions of Ionic Liquids With Solutes, Particles And Surfaces: Insights From Molecular Simulation And Experimental Thermodynamics

oral communicatio