Related papers: Order of wetting transitions in electrolyte soluti…
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…
We examine phase separation in aqueous mixtures due to preferential solvation with a low-density solute (hydrophilic ions or hydrophobic particles). For hydrophilic ions, preferential solvation can stabilize water domains enriched with…
The wetting transition is studied in the McCoy-Wu Ising model in which the random bonds are perfectly correlated in the direction parallel to the walls . The model is solved numerically on finite size lattices up to $200 \times 200^2$. It…
Many key industrial processes, from electricity production, conversion and storage to electrocatalysis or electrochemistry in general, rely on physical mechanisms occurring at the interface between a metallic electrode and an electrolyte…
As a first step towards a microscopic understanding of the effective interaction between colloidal particles suspended in a solvent we study the wetting behavior of one-component fluids at spheres and fibers. We describe these phenomena…
We introduce a field-theoretic electrolyte model composed of structured solvent molecules and salt ions coupled by electrostatic and hard-core interactions. Within this explicit solvent theory, we characterize the salt-driven dielectric…
From hydrogels and plastics to liquid crystals, soft solids cover a wide array of synthetic and biological materials that play key enabling roles in advanced technologies such as 3D printing, soft robotics, wearable electronics,…
We consider a restricted Solid-on-Solid interface in $\Bbb{Z}_{+}$, subject to a potential $V\left( n\right) $ behaving at infinity like $-\mathrm{w}/n^{2}$. Whenever there is a wetting transition as $b_{0}\equiv \exp V\left( 0\right) $ is…
Liquid-liquid phase transition (LLPT) in supercooled water has been a long-standing controversial issue. We show simulation results of real stable first-order phase transitions between high and low density liquid (HDL and LDL)-like…
A longstanding question in water research is the possibility that supercooled liquid water can undergo a liquid-liquid phase transition (LLT) into high- and low-density liquids. We used several complementary molecular simulation techniques…
According to classical electrolyte theories interactions in dilute (low ion density) electrolytes decay exponentially with distance, with the Debye screening length the characteristic length-scale. This decay length decreases monotonically…
We study the problem of fluid adsorption at a non-planar wall with a view to understanding the influence of surface roughness on the wetting transition. Starting from an appropriate Landau-type free energy functional we develop a linear…
Long-ranged electrostatic interactions in electrolytes modify their contact angles on charged substrates in a scale and geometry dependent manner. For angles measured at scales smaller than the typical Debye screening length, the wetting…
We study the interplay between wetting and miscibility of a symmetric polymer mixture via MC simulations and SCF calculations. The film surfaces interact with the monomers via short ranged potentials and the wetting transition is of first…
Some fluids exhibit anomalously low friction when flowing against a certain solid wall. To recover the viscosity of a bulk fluid, slip at the wall is usually postulated. On a macroscopic level, a large slip length can be explained as a…
We study the wetting model, which considers a random walk constrained to remain above a hard wall, but with additional pinning potential for each contact with the wall. This model is known to exhibit a wetting phase transition, from a…
In this work we study and contrast implicit solvation models against explicit atomistic, quantum mechanical models in the description of the band alignment of semiconductors in aqueous environment, using simulations based on density…
The global phase diagram of wetting in the two-dimensional (2d) Ising model is obtained through exact calculation of the surface excess free energy. Besides a surface field for inducing wetting, a surface-coupling enhancement is included.…
We study the transient response of an electrolytic cell subject to a small, suddenly applied temperature increase at one of its two bounding electrode surfaces. An inhomogeneous temperature profile then develops, causing, via the Soret…
Long-range ion induced water-water correlations were recently observed in femtosecond elastic second harmonic scattering experiments of electrolyte solutions. To further the qualitative understanding of these correlations, we derive an…