Multicanonical ensemble sampling simulations have been performed to calculate the phase diagram of a Lennard-Jones fluid embedded in a fractal random matrix generated through diffusion- limited cluster aggregation. The study of the system at increasing size and constant porosity shows that the results are independent of the matrix realization but not of the size effects. A gas-liquid transition shifted with respect to bulk is found. On growing the size of the system on the high-density side of the gas-liquid coexistence curve there appears a second coexistence region between two liquid phases. These two phases are characterized by a different behaviour of the local density inside the interconnected porous structure at the same temperature and chemical potential.
DE GRANDIS V, GALLO P, & ROVERE M (2006). Liquid-Liquid transition of simple liquids confined in fractal porous materials. EUROPHYSICS LETTERS, 75, 901.
Titolo: | Liquid-Liquid transition of simple liquids confined in fractal porous materials |
Autori: | |
Data di pubblicazione: | 2006 |
Rivista: | |
Citazione: | DE GRANDIS V, GALLO P, & ROVERE M (2006). Liquid-Liquid transition of simple liquids confined in fractal porous materials. EUROPHYSICS LETTERS, 75, 901. |
Abstract: | Multicanonical ensemble sampling simulations have been performed to calculate the phase diagram of a Lennard-Jones fluid embedded in a fractal random matrix generated through diffusion- limited cluster aggregation. The study of the system at increasing size and constant porosity shows that the results are independent of the matrix realization but not of the size effects. A gas-liquid transition shifted with respect to bulk is found. On growing the size of the system on the high-density side of the gas-liquid coexistence curve there appears a second coexistence region between two liquid phases. These two phases are characterized by a different behaviour of the local density inside the interconnected porous structure at the same temperature and chemical potential. |
Handle: | http://hdl.handle.net/11590/144231 |
Appare nelle tipologie: | 1.1 Articolo in rivista |