Utilize este identificador para referenciar este registo: http://hdl.handle.net/10400.21/2233
Título: Re-entrant phase behaviour of network fluids: A patchy particle model with temperature-dependent valence
Autor: Russo, J.
Tavares, J. M.
Teixeira, Paulo Ivo Cortez
Telo da Gama, M. M.
Sciortino, F.
Palavras-chave: Dipolar Hard-Spheres
Directional Attractive Forces
Data: 21-Jun-2011
Editora: Amer Inst Physics
Citação: RUSSO, J.; TAVARES, J. M.; TEIXEIRA, P. I. C.; TELO DA GAMA, M. M.; SCIORTINO, F. - Re-entrant phase behaviour of network fluids: A patchy particle model with temperature-dependent valence. Journal of Chemical Physics. ISSN 0021-9606. Vol. 135, n.º 3 (2011).
Relatório da Série N.º: ;034501
Resumo: We study a model consisting of particles with dissimilar bonding sites ("patches"), which exhibits self-assembly into chains connected by Y-junctions, and investigate its phase behaviour by both simulations and theory. We show that, as the energy cost epsilon(j) of forming Y-junctions increases, the extent of the liquid-vapour coexistence region at lower temperatures and densities is reduced. The phase diagram thus acquires a characteristic "pinched" shape in which the liquid branch density decreases as the temperature is lowered. To our knowledge, this is the first model in which the predicted topological phase transition between a fluid composed of short chains and a fluid rich in Y-junctions is actually observed. Above a certain threshold for epsilon(j), condensation ceases to exist because the entropy gain of forming Y-junctions can no longer offset their energy cost. We also show that the properties of these phase diagrams can be understood in terms of a temperature-dependent effective valence of the patchy particles. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3605703]
Peer review: yes
URI: http://hdl.handle.net/10400.21/2233
ISSN: 0021-9606
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