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 coexistence in the phase diagram of a fluid confined in fractal porous materials. EUROPHYSICS LETTERS, 75(6), 901-907 [10.1209/epl/i2006-10216-4].
Titolo: | Liquid-liquid coexistence in the phase diagram of a fluid confined in fractal porous materials | |
Autori: | ||
Data di pubblicazione: | 2006 | |
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Citazione: | De Grandis V, Gallo P, & Rovere M (2006). Liquid-liquid coexistence in the phase diagram of a fluid confined in fractal porous materials. EUROPHYSICS LETTERS, 75(6), 901-907 [10.1209/epl/i2006-10216-4]. | |
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/11590/134357 | |
Appare nelle tipologie: | 1.1 Articolo in rivista |