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Adsorption hysteresis and capillary condensation in disordered porous solids: a density functional study

E. Kierlik·P. A. Monson·M. L. Rosinberg·G. Tarjus
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Abstract

We present a theoretical study of capillary condensation of fluids adsorbed in mesoporous disordered media. Combining mean-field density functional theory with a coarse-grained description in terms of a lattice-gas model allows us to investigate both the out-of-equilibrium (hysteresis) and the equilibrium behavior. We show that the main features of capillary condensation in disordered solids result from the appearance of a complex free-energy landscape with a large number of metastable states. We detail the numerical procedures for finding these states, and the presence or absence of transitions in the thermodynamic limit is determined by careful finite-size studies.

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E. Kierlik, P. A. Monson, M. L. Rosinberg, G. Tarjus. 2002-05-31. Adsorption hysteresis and capillary condensation in disordered porous solids: a density functional study. https://doi.org/10.1088/0953-8984%2F14%2F40%2F319

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