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http://hdl.handle.net/2445/173712
Title: | Self-assembly of microscopic rods due to depletion interaction |
Author: | Calero Borrallo, Carles Pagonabarraga Mora, Ignacio |
Keywords: | Simulació per ordinador Termodinàmica Computer simulation Thermodynamics |
Issue Date: | 7-Aug-2020 |
Publisher: | MDPI |
Abstract: | In this article, using numerical simulations we investigate the self-assembly of rod-like particles in suspension due to depletion forces which naturally emerge due to the presence of smaller spherical depletant particles. We characterize the type of clusters that are formed and the evolution of aggregation departing from a random initial configuration. We show that eventually the system reaches a thermodynamic equilibrium state in which the aggregates break and reform dynamically. We investigate the equilibrium state of aggregation, which exhibits a strong dependence on depletant concentration. In addition, we provide a simple thermodynamic model inspired on the theory of self-assembly of amphiphilic molecules which allows us to understand qualitatively the equilibrium aggregate size distributions that we obtain in simulation. |
Note: | Reproducció del document publicat a: https://doi.org/10.3390/e22101114 |
It is part of: | Entropy, 2020, vol. 22, p. 1114 |
URI: | http://hdl.handle.net/2445/173712 |
Related resource: | https://doi.org/10.3390/e22101114 |
ISSN: | 1099-4300 |
Appears in Collections: | Articles publicats en revistes (Física de la Matèria Condensada) Publicacions de projectes de recerca finançats per la UE |
Files in This Item:
File | Description | Size | Format | |
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706724.pdf | 1.52 MB | Adobe PDF | View/Open |
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