Dynamics of Patchy Particles in and out of Equilibrium
| Autor: | Nuno A. M. Araújo, José Maria Tavares, M. M. Telo da Gama, C. S. Dias |
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| Rok vydání: | 2017 |
| Předmět: |
Physics
Dynamics (mechanics) Asymptotic dynamics Time evolution Nonoverlapping three-patch particles 02 engineering and technology Rate equation 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences Surfaces Coatings and Films Distribution (mathematics) Materials Chemistry Particle Single bond Statistical physics Physical and Theoretical Chemistry 0210 nano-technology Patchy particles |
| Zdroj: | Repositório Científico de Acesso Aberto de Portugal Repositório Científico de Acesso Aberto de Portugal (RCAAP) instacron:RCAAP |
| ISSN: | 1520-5207 1520-6106 |
| DOI: | 10.1021/acs.jpcb.7b10726 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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