Dynamics of Patchy Particles in and out of Equilibrium
- J. M. Tavares*J. M. Tavares*E-mail: [email protected]Centro de Física Teórica e Computacional, Universidade de Lisboa, 1749-016 Lisboa, PortugalInstituto Superior de Engenharia de Lisboa, ISEL, Avenida Conselheiro Emídio Navarro, 1, 1950-062 Lisboa, PortugalMore by J. M. Tavares,
- C. S. Dias*C. S. Dias*E-mail: [email protected]Centro de Física Teórica e Computacional, Universidade de Lisboa, 1749-016 Lisboa, PortugalDepartamento de Fı́sica, Faculdade de Ciências, Universidade de Lisboa, 1749-016 Lisboa, PortugalMore by C. S. Dias,
- N. A. M. Araújo*N. A. M. Araújo*E-mail: [email protected]Centro de Física Teórica e Computacional, Universidade de Lisboa, 1749-016 Lisboa, PortugalDepartamento de Fı́sica, Faculdade de Ciências, Universidade de Lisboa, 1749-016 Lisboa, PortugalMore by N. A. M. Araújo, and
- M. M. Telo da Gama*M. M. Telo da Gama*E-mail: [email protected]Centro de Física Teórica e Computacional, Universidade de Lisboa, 1749-016 Lisboa, PortugalDepartamento de Fı́sica, Faculdade de Ciências, Universidade de Lisboa, 1749-016 Lisboa, PortugalMore by M. M. Telo da Gama
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 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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