Dynamics of patchy particles in and out of equilibrium

TL;DR

This paper investigates the dynamic behavior of patchy particles both in and out of equilibrium using simulations and theoretical models, revealing how initial conditions, temperature, and density influence their bonding and breaking rates over time.

Contribution

It combines particle simulations, mean-field rate equations, and Wertheim's theory to analyze the nonequilibrium dynamics of patchy particles, highlighting differences from equilibrium behavior.

Findings

Asymptotic and initial dynamics differ significantly.

Dynamics depend on initial conditions, temperature, and density.

Bonding and breaking rates evolve distinctly over time.

Abstract

We combine particle-based simulations, mean-field rate equations, and Wertheim's theory to study the dynamics of patchy particles in and out of equilibrium, at different temperatures and densities. We consider an initial random distribution of non-overlapping three-patch particles, with no bonds, and analyze the time evolution of the breaking and bonding rates of a single bond. We find that the asymptotic (equilibrium) dynamics differs from the initial (out of equilibrium) one. These differences are expected to depend on the initial conditions, temperature, and density.