http://www.cnr.it/ontology/cnr/individuo/prodotto/ID200074
Re-entrant phase behaviour of network fluids: A patchy particle model with temperature-dependent valence (Articolo in rivista)
- Type
- Label
- Re-entrant phase behaviour of network fluids: A patchy particle model with temperature-dependent valence (Articolo in rivista) (literal)
- Anno
- 2011-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1063/1.3605703 (literal)
- Alternative label
J. Russo (1); J. M. Tavares (2,3); P. I. C. Teixeira (2,3); M. M. Telo da Gama (3,4); F. Sciortino (1) (2011)
Re-entrant phase behaviour of network fluids: A patchy particle model with temperature-dependent valence
in The Journal of chemical physics
(literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- J. Russo (1); J. M. Tavares (2,3); P. I. C. Teixeira (2,3); M. M. Telo da Gama (3,4); F. Sciortino (1) (literal)
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- ISI Web of Science (WOS) (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
- 1 Dipartimento di Fisica and CNR-ISC, Università di Roma La Sapienza, Piazzale A. Moro 2, I-00185 Rome,
Italy
2 Instituto Superior de Engenharia de Lisboa, Rua Conselheiro Emídio Navarro 1, P-1950-062 Lisbon, Portugal
3 Centro de Física Teórica e Computacional, Avenida Professor Gama Pinto 2, P-1649-003 Lisbon, Portugal
4 Departamento de Física, Faculdade de Ciências da Universidade de Lisboa, P-1749-016 Lisbon, Portugal (literal)
- Titolo
- Re-entrant phase behaviour of network fluids: A patchy particle model with temperature-dependent valence (literal)
- Abstract
- 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. (literal)
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