Dynamics of Patchy Particles in and out of Equilibrium

JM Tavares and CS Dias and NAM Araujo and MMT da Gama, JOURNAL OF PHYSICAL CHEMISTRY B, 122, 3514-3518 (2018).

DOI: 10.1021/acs.jpcb.7b10726

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 nonoverlapping 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.

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