We study the interplay between phase separation and self-assembly in chains, rings, and branched structures in a model of particles with dissimilar patches. We extend Wertheim's first order perturbation theory to include the effects of ring formation and to theoretically investigate the thermodynamics of the model. We find a peculiar shape for the vapor-liquid coexistence, featuring reentrant behavior in both phases and two critical points, despite the single-component nature of the system. The emergence of the lower critical point is caused by the self-assembly of rings taking place in the vapor, generating a phase with lower energy and lower entropy than the liquid. Monte Carlo simulations of the same model fully support these unconventional theoretical predictions.

Self-assembly in chains, rings, and branches: A single component system with two critical points / Rovigatti, Lorenzo; Jose Maria, Tavares; Sciortino, Francesco. - In: PHYSICAL REVIEW LETTERS. - ISSN 0031-9007. - 111:16(2013), p. 168302. [10.1103/physrevlett.111.168302]

Self-assembly in chains, rings, and branches: A single component system with two critical points

ROVIGATTI, LORENZO;SCIORTINO, Francesco
2013

Abstract

We study the interplay between phase separation and self-assembly in chains, rings, and branched structures in a model of particles with dissimilar patches. We extend Wertheim's first order perturbation theory to include the effects of ring formation and to theoretically investigate the thermodynamics of the model. We find a peculiar shape for the vapor-liquid coexistence, featuring reentrant behavior in both phases and two critical points, despite the single-component nature of the system. The emergence of the lower critical point is caused by the self-assembly of rings taking place in the vapor, generating a phase with lower energy and lower entropy than the liquid. Monte Carlo simulations of the same model fully support these unconventional theoretical predictions.
2013
01 Pubblicazione su rivista::01a Articolo in rivista
Self-assembly in chains, rings, and branches: A single component system with two critical points / Rovigatti, Lorenzo; Jose Maria, Tavares; Sciortino, Francesco. - In: PHYSICAL REVIEW LETTERS. - ISSN 0031-9007. - 111:16(2013), p. 168302. [10.1103/physrevlett.111.168302]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/557045
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