Related papers: Does adsorption in a single nanogroove exhibit hys…
The sorption-desorption hysteresis observed in many nanoporous solids, at vapor pressures low enough for the the liquid (capillary) phase of the adsorbate to be absent, has long been vaguely attributed to changes in the nanopore structure,…
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…
Wetting of actual surfaces involves diverse hysteretic phenomena stemming from ever-present imperfections. Here we clarify the origin of wetting hysteresis for a liquid front advancing or receding across an isolated defect of nanometric…
Molecular dynamics simulations are used to examine hysteretic effects and distinctions between equilibrium and non-equilibrium aspects of particle adsorption on the walls of nano-sized fluidfilled channels. The force on the particle and the…
Motivated by the puzzle of sorption hysteresis in Portland cement concrete or cement paste, we develop in Part II of this study a general theory of vapor sorption and desorption from nanoporous solids, which attributes hysteresis to…
The wetting and filling properties of a fluid adsorbed on a solid grooved substrate are studied by means of a microscopic density functional theory. The grooved substrates are modelled using a solid slab, interacting with the fluid…
Using grand canonical Monte Carlo simulations, we have explored the phenomenon of capillary condensation (CC) of Ar at the triple temperature inside infinitely long, cylindrical pores. Pores of radius R= 1 nm, 1.7 nm and 2.5 nm have been…
We consider condensation in a capillary groove of width $L$ and depth $D$, formed by walls that are completely wet (contact angle $\theta=0$), which is in a contact with a gas reservoir of the chemical potential $\mu$. On a mesoscopic…
In this two-part study we investigate the phase behaviour of a fluid spatially confined in a semi-infinite rectangular pore formed by three orthogonal walls and connected to a reservoir maintaining constant values of pressure and…
We consider the theoretical description of a fluid adsorbed in a nanopore. Hysteresis and discontinuities in the isotherms in general hampers the determination of equilibrium thermodynamic properties, even in computer simulations. A…
Using molecular dynamics simulations, we study the motion of a closely fitting nanometer-size solid sphere in a fluid-filled cylindrical nanochannel at low Reynolds numbers and for a wide range of fluid-solid interactions corresponding to…
We study the order of capillary condensation and evaporation transitions of a simple fluid adsorbed in a deep capillary groove using a fundamental measure density functional theory (DFT). The walls of the capillary interact with the fluid…
Vapor adsorption experiments are widely used to assess pore size distributions, but the large hysteresis sometimes observed between sorption and desorption isotherms remains difficult to interpret. Such hysteresis is influenced pore network…
We report on an experimental study of adsorption isotherme of nitrogen onto porous silicon with non interconnected pores open at one or at both ends in order to check for the first time the old (1938) but always current idea based on…
Molecular dynamics simulations are used to study the behavior of closely-fitting spherical and ellipsoidal particles moving through a fluid-filled cylinder at nanometer scales. The particle, the cylinder wall and the fluid solvent are all…
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…
We investigate the origin of the hysteresis observed in the transfer characteristics of back-gated field-effect transistors with an exfoliated MoS2 channel. We find that the hysteresis is strongly enhanced by increasing either gate voltage,…
A particle-water discrete element based approach to describe water movement in partially saturated granular media is presented and tested. Water potential is governed by both capillary bridges, dominant at low saturations, and the pressure…
We present direct experimental evidence that water droplets can spontaneously penetrate non-wetting capillaries, driven by the action of Laplace pressure due to high droplet curvature. Using high-speed optical imaging, microcapillaries of…
We study the interplay between hysteresis and equilibrium behavior in capillary condensation of fluids in mesoporous disordered materials via a mean-field density functional theory of a disordered lattice-gas model. The approach reproduces…