Equilibrium and out-of-equilibrium (hysteretic) behavior of fluids in disordered porous materials: Theoretical predictions

Literature Information

Publication Date 2001-03-02
DOI 10.1039/B008636N
Impact Factor 3.676
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Abstract

We study the relation between out-of-equilibrium (hysteretic) and equilibrium behavior in the capillary condensation of fluids in disordered mesoporous solids. Using mean-field density functional theory, we show that a simple lattice-gas model can reproduce the major experimental observations and that the classical van der Waals picture of metastability fails due the appearance of many metastable states. We find that (i) a true equilibrium capillary phase transition may occur when the perturbation induced by the solid is sufficiently small; (ii) hysteresis does not necessarily imply the existence of this phase transition; (iii) the disappearance of the hysteresis loop is not associated with capillary criticality; and (iv) thermodynamic consistency is violated along the adsorption–desorption isotherms.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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