Related papers: Wedge wetting by electrolyte solutions
A partially miscible binary liquid mixture, composed of A and B particles, is considered theoretically under conditions for which a stable A-rich liquid phase is in thermal equilibrium with the vapor phase. The B-rich liquid is metastable.…
Understanding overcharging and charge inversion is one of the long-standing challenges in soft matter and biophysics. To study these phenomena, we employ the modified Gaussian renormalized fluctuation theory, which allows for the…
Long, shallow microchannels embedded in thick soft materials are widely used in microfluidic devices for lab-on-a-chip applications. However, the bulging effect caused by fluid--structure interactions between the internal viscous flow and…
We consider a simple fluid confined between two parallel walls (substrates), separated by a distance L. The walls exert competing surface fields so that one wall is attractive and may be completely wet by liquid (it is solvophilic) while…
The effective interaction between two planar walls immersed in a fluid is investigated by use of Density Functional Theory in the super-critical region of the phase diagram. A hard core Yukawa model of fluid is studied with special…
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…
Clarifying the factors that control the contact angle of a liquid on a solid substrate is a long-standing scientific problem pertinent across physics, chemistry and materials science. Progress has been hampered by the lack of a…
Plane wave density functional theory codes generally assume periodicity in all three dimensions. This causes difficulties when studying charged systems, for instance energies per unit cell become infinite, and, even after being renormalised…
Using grand-canonical Monte Carlo simulations we investigate the impact of charged walls on the crystallization properties of charged colloidal suspensions confined between these walls. The investigations are based on an effective model…
Interfacial fluctuation effects occuring at wedge and cone filling transitions are investigated and shown to exhibit very different characteristics. For both geometries we show how the conditions for observing critical (continuous) filling…
We introduce a new form of density functional theory for the {\em ab initio} description of electronic systems in contact with a molecular liquid environment. This theory rigorously joins an electron density-functional for the electrons of…
In this article, we generalize Wenzel law, which assigns an effective contact angle for a droplet on a rough substrate, when the wetting layer has an ordered phase, like a nematic. We estimate the conditions for which the wetting behavior…
In Part II of this study we consider two cases of three-phase coexistence. First, the capped capillary may allow for vapour, drop-like, and slab-like phases to coexist at the same values of temperature and chemical potential. Second, the…
We study complete wetting of solid walls that are patterned by parallel nanogrooves of depth $D$ and width $L$ with a periodicity of $2L$. The wall is formed of a material which interacts with the fluid via a long-range potential and…
We report here how the hydration of complex surfaces can be efficiently studied thanks to recent advances in classical molecular density functional theory. This is illustrated on the example of the pyrophylite clay. After presenting the…
In this paper we study the electrostatic interaction of a heterogeneously charged wall with a neutral semipermeable membrane. The wall consists of periodic stripes, where the charge density varies in one direction. The membrane is in a…
Using first-principles density functional theory (DFT), we studied the issue of water incorporation in iron bearing wadsleyite (Mg$_2$SiO$_4$)mineral at transition zone pressures and temperature under varying conditions of vacancy…
For one-component fluids, we predict a pre-dewetting phase transition between a thin and thick low-density layer in liquid on a wall repelling the fluid. This is the case of a hydrophobic wall for water. A pre-dewetting line starts from the…
Transition metal dichalcogenides (TMDs) are a class of two-dimensional (2D) materials been widely studied for emerging electronic properties. In this work, we use computational simulations to examine the water adsorption on TMDs…
The understanding of the spreading of liquids on solid surfaces is an important challenge for contemporary physics. Today, the motion of the contact line formed at the intersection of two immiscible fluids and a solid is still subject to…