2021-02-05T15:44:59Z
2021-02-05T15:44:59Z
2020-08-07
2021-02-05T15:44:59Z
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.
Article
Published version
English
Simulació per ordinador; Termodinàmica; Computer simulation; Thermodynamics
MDPI
Reproducció del document publicat a: https://doi.org/10.3390/e22101114
Entropy, 2020, vol. 22, p. 1114
https://doi.org/10.3390/e22101114
info:eu-repo/grantAgreement/EC/H2020/766972/EU//NANOPHLOW
cc-by (c) Calero Borrallo, Carles et al., 2020
http://creativecommons.org/licenses/by/3.0/es