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Phase Behavior of Binary Fluid Mixtures Confined in a Model Aerogel.

Salazar, Rafael; Toral, Raul; Chakrabarti, Amitabha.
Journal of Sol-Gel Science and Technology. 15, 175-181 (1999)

It is found experimentally that the coexistence region of a vapor-liquid system or a binary mixture is substantially narrowed when the fluid is confined in a aerogel with a high degree of porosity (e.g. of the order of 95% to 99%). A Hamiltonian model for this system has recently been introduced (J.Donley PRE 55:539, 1997}. We have performed Monte-Carlo simulations for this model to obtain the phase diagram for the model. We use a periodic fractal structure constructed by diffusion-limited cluster-cluster aggregation (DLCA) method to simulate a realistic gel environment. The phase diagram obtained is qualitatively similar to that observed experimentally. We also have observed some metastable branches in the phase diagram which have not been seen in experiments yet. These branches, however, might be important in the context of recent theoretical predictions and other simulations.
(7 pages, 5 figures, LaTeX, Journal of Sol-Gel Science and Technology 15, 175-181 (1999), Special issue: Computer Simulations of Aggregation and Sol-Gel Process, postscript version here).

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Spanish National Research Council Universitat de les Illes Balears