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Orientador(es)
Resumo(s)
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.
Descrição
Palavras-chave
Nonoverlapping three-patch particles Asymptotic dynamics
Contexto Educativo
Citação
TAVARES, José Maria; [et al] – Dynamics of patchy particles in and out of equilibrium. Journal of Physical Chemistry B. ISSN 1520-6106. Vol. 122, N.º 13 SI (2018), pp. 3514-3518
Editora
American Chemical Society