16.07.24 - Laurent Joly "Exploring the molecular origins of viscosity, from model fluids to confined water"

Unlike crystalline solids or ideal gases, the transport properties of fluids remain difficult to describe from a microscopic point of view, with their dynamics resulting from complex energetic and entropic contributions at the atomic scale. In this talk I will present recent advances from our group using molecular dynamics simulations to elucidate the molecular origins of viscosity and diffusion. I will first show how a simple free volume model can predict the transport properties of a model fluid over a wide range of pressure and temperature. I will then turn to water, which, despite its apparently simple molecular structure, presents significant challenges in its description. In particular, I will discuss the connection between dynamics and structure, as quantified by entropy excess models, and the effect of extreme confinement.

 

 

http://ilm-perso.univ-lyon1.fr/~ljoly/