Quantitative description of the self-assembly of patchy particles into chains and rings


Autoria(s): Tavares, José Maria; Rovigatti, Lorenzo; Sciortino, Francesco
Data(s)

10/09/2015

10/09/2015

28/07/2012

Resumo

We numerically study a simple fluid composed of particles having a hard-core repulsion complemented by two patchy attractive sites on the particle poles. An appropriate choice of the patch angular width allows for the formation of ring structures which, at low temperatures and low densities, compete with the growth of linear aggregates. The simplicity of the model makes it possible to compare simulation results and theoretical predictions based on the Wertheim perturbation theory, specialized to the case in which ring formation is allowed. Such a comparison offers a unique framework for establishing the quality of the analytic predictions. We find that the Wertheim theory describes remarkably well the simulation results.

Identificador

TAVARES, J. M.; ROVIGATTI, L.; SCIORTINO, F. – Quantitative description of the self-assembly of patchy particles into chains and rings. Journal of Chemical Physics. ISSN: 0021-9606. Vol. 137, nr. 4 (2012)

0021-9606

http://hdl.handle.net/10400.21/5158

10.1063/1.4737930

Idioma(s)

eng

Publicador

American Institute of Physics

Relação

Foundation of the Faculty of Sciences of the University of Lisbon

PEst-OE/FIS/UI0618/2011

PTDC/FIS/098254/2008

ERC-226207-PATCHYCOLLOIDS

ITN-234810-COMPLOIDS

044901

Direitos

closedAccess

Palavras-Chave #Thermodynamic Perturbation-Theory #Directional Attractive Forces #Dynamical Monte-Carlo #Equilibrium Polymers #Fluids #Association #Simulation #Model
Tipo

article