Scaling of Structure and Dynamics in Molecular Liquids: Insights from Pressure Experiments and Molecular Dynamics

TL;DR

This thesis explores the relationship between structure and dynamics in molecular liquids, testing the Isomorph theory's predictions through pressure experiments and molecular dynamics simulations, with a focus on structural invariance along phase diagram lines.

Contribution

It provides the first experimental investigation of the Isomorph theory's structural prediction in molecular liquids where dynamic invariance has been confirmed.

Findings

Confirmed dynamic invariance along Isomorphs

Provided experimental evidence for structural invariance

Supported the applicability of Isomorph theory to molecular liquids

Abstract

The overall goal of this thesis is to investigate the connection between the dynamics and structure of molecular glass formers, by testing different scaling laws for both. The inspiration for this work is the Isomorph theory because it predicts a connection between structure and dynamics. The fundamental prediction of the Isomorph Theory is that there exist lines in the phase diagram where both structure and dynamics are invariant when presented in reduced units. The prediction of constant dynamics has been tested and confirmed experimentally several times, but the structural prediction has never been confirmed experimentally. In this thesis, we have investigated the structural prediction for liquids where the prediction of constant dynamics has been shown experimentally.