Utilize este identificador para referenciar este registo: http://hdl.handle.net/10400.21/5158
Título: Quantitative description of the self-assembly of patchy particles into chains and rings
Autor: Tavares, José Maria
Rovigatti, Lorenzo
Sciortino, Francesco
Palavras-chave: Thermodynamic Perturbation-Theory
Directional Attractive Forces
Dynamical Monte-Carlo
Equilibrium Polymers
Fluids
Association
Simulation
Model
Data: 28-Jul-2012
Editora: American Institute of Physics
Citação: 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)
Relatório da Série N.º: 044901
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.
Peer review: yes
URI: http://hdl.handle.net/10400.21/5158
DOI: 10.1063/1.4737930
ISSN: 0021-9606
Aparece nas colecções:ISEL - Física - Artigos



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