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Consider a two-dimensional capped capillary pore formed by capping two parallel planar walls with a third wall orthogonal to the two planar walls. This system reduces to a slit pore sufficiently far from the capping wall and to a single planar wall when the side walls are far apart. Not surprisingly, wetting of capped capillaries is related to wetting of slit pores and planar walls. For example, the wetting temperature of the capped capillary provides the boundary between first-order and continuous transitions to condensation. We present a numerical investigation of adsorption in capped capillaries of mesoscopic widths based on density functional theory. The fluid-fluid and fluid-substrate interactions are given by the pairwise Lennard-Jones potential. We also perform a parametric study of wetting in capped capillaries by a liquid phase by varying the applied chemical potential, temperature, and pore width. This allows us to construct surface phase diagrams and investigate the complicated interplay of wetting mechanisms specific to each system, in particular, the dependence of capillary wetting temperature on the pore width. [ABSTRACT FROM AUTHOR]

We present a fully microscopic study of the interfacial thermodynamics of nanodrops and nanobubbles, adsorbed on flat substrates with first-order wetting. We show that both nanodrops and nanobubbles are thermodynamically accessible in regions, demarcated by the spinodals of planar wetting films, with nanobubbles occupying a relatively bigger portion of the phase space. While nanodrops can be described as near-spherical caps of Laplace radius, the radius of nanobubbles is very different from the Laplace value. Additionally, nanobubbles are accompanied by a thin gas film adsorbed on the substrate. By computing the interface binding potential, we relate the sphericity of nanodrops to the thin–thick liquid film coexistence (prewetting transition), whereas nanobubble shapes are determined only by the decay of the fluid–substrate forces. [ABSTRACT FROM AUTHOR]

In this special issue article, we bring together our recent research on wetting in confinement, in particular planar walls, wedges, capillary grooves and slit pores, with emphasis on phase transitions and competition between wetting, filling and condensation, and highlight their similarities and disparities. The results presented are obtained with the classical density functional theory (DFT) for fluids, which is a mean-field statistical mechanical framework for including the spatial variations of the fluid density into the thermodynamic equation of state. For wetting in sculpted substrates, we solve numerically the DFT equations to obtain the fluid density profiles, wetting isotherms and phase diagrams. This allows us to contrast the wetting phenomenology of grooves, planar walls, slit and wedge-shaped pores. Of particular interest are the transitions associated with capillary condensation, planar pre-wetting and mean-field wedge pre-filling lines. [ABSTRACT FROM AUTHOR]

We examine the motion of a liquid-air meniscus advancing into a microchannel with chemically heterogeneous walls. We consider the case where a constant flow rate is imposed, so that the mean velocity of the interface is kept constant, and study the effects of the disorder properties on the apparent contact angle for each microchannel surface. We focus here on a large diffusivity regime, where any possible advection effect is not taken into account. To this end, we make use of a phase-field model that enables contact line motion by diffusive interfacial fluxes and takes into account the wetting properties of the walls. We show that in a regime of sufficiently low velocities, the contact angle suffers a hysteresis behavior which is enhanced by the disorder strength. We also show that the contact line dynamics at each surface of the microchannel may become largely coupled with each other when different wetting properties are applied at each wall, reflecting that the dynamics of the interface is dominated by nonlocal effects. [ABSTRACT FROM AUTHOR]

We investigate theoretically the statistics of the equilibria of two-dimensional droplets over random topographical substrates. The substrates are appropriately represented as families of certain stationary random functions parametrized by a characteristic amplitude and wavenumber. In the limit of shallow topographies and small contact angles, a linearization about the flat-substrate equilibrium reveals that the droplet footprint is adequately approximated by a zero-mean, normally distributed random variable. The theoretical analysis of the statistics of droplet shift along the substrate is highly non-trivial. However, for weakly asymmetric substrates it can be shown analytically that the droplet shift approaches a Cauchy random variable; for fully asymmetric substrates its probability density is obtained via Padé approximants. Generalization to arbitrary stationary random functions does not change qualitatively the behaviour of the statistics with respect to the characteristic amplitude and wavenumber of the substrate. Our theoretical results are verified by numerical experiments, which also suggest that on average a random substrate neither enhances nor reduces droplet wetting. To address the question of the influence of substrate roughness on wetting, a stability analysis of the equilibria must be performed so that we can distinguish between stable and unstable equilibria, which in turn requires modelling the dynamics. This is the subject of Part 2 of this study. [ABSTRACT FROM PUBLISHER]

Abstract: We study phase field equations in perforated domains for arbitrary free energies. These equations have found numerous applications in a wide spectrum of both science and engineering problems with homogeneous environments. Here, we focus on strongly heterogeneous materials with perforations such as porous media. To the best of our knowledge, we provide the first derivation of upscaled equations for general free energy densities. In view of the versatile applications of phase field equations, we expect that our study will lead to new modelling and computational perspectives for interfacial transport and phase transformations in strongly heterogeneous environments. [Copyright &y& Elsevier]

We report a new first-order phase transition preceding capillary condensation and corresponding to the discontinuous formation of a curved liquid meniscus. Using a mean-field microscopic approach based on the density functional theory we compute the complete phase diagram of a prototypical two-dimensional system exhibiting capillary condensation, namely that of a fluid with long-ranged dispersion intermolecular forces which is spatially confined by a substrate forming a semi-infinite rectangular pore exerting long-ranged dispersion forces on the fluid. In the T-μ plane the phase line of the new transition is tangential to the capillary condensation line at the capillary wetting temperature TCW. The surface phase behavior of the system maps to planar wetting with the phase line of the new transition, termed capillary prewetting, mapping to the planar prewetting line. If capillary condensation is approached isothermally with T > TCW, the meniscus forms at the capping wall and unbinds continuously, making capillary condensation a second-order phenomenon. We compute the corresponding critical exponent for the divergence of adsorption. [ABSTRACT FROM AUTHOR]