Related papers: Wettability from Diffusion: A Universal Molecular …
Wettability quantifies the affinity of a liquid over a substrate, and determines whether the surface is repellent or not. When both the liquid and the solid phases are made of the same chemical substance and are at thermal equilibrium,…
Capillary heterogeneity is increasingly recognized as a first-order control on gas plume migration and trapping in aquifers and storage formations. We show that spatial variability in the water-methane contact angle, determined by…
The wetting properties of solid substrates with customary (i.e., macroscopic) random roughness are considered as a function of the microscopic contact angle of the wetting liquid and its partial pressure in the surrounding gas phase.…
A hydrophilic liquid, such as water, forms hydrogen bonds with a hydrophilic substrate. The strength and locality of the hydrogen bonding interactions prohibit slip of the liquid over the substrate. The question then arises how the contact…
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…
The characterization of the wetting on superhydrophobic surfaces is rather complex. Usual contact angle experiments are difficult to perform and the lateral movement of droplets as well as the pinning at point defects on the surface can…
There is a huge interest in developing super-repellent surfaces for anti-fouling and heat transfer applications. To characterize the wetting properties of such surfaces, the most common approach is to place a millimetric-sized droplet and…
The influence of the external pressure and surface energy on the wetting transition at nanotextured interfaces is studied using molecular dynamics and continuum simulations. The surface roughness of the composite interface is introduced via…
An enhanced geometric algorithm for automated pore-by-pore contact angle measurement from micro-CT images, is presented that achieves superior accuracy compared to existing methods through robust fluid-fluid and solid-fluid interface…
Hypothesis Understanding wetting behavior is of great importance for natural systems and technological applications. The traditional concept of contact angle, a purely geometrical measure related to curvature, is often used for…
The three-phase contact line of a droplet on a smooth surface can be characterized by the Young-Dupr\'e equation. It relates the interfacial energies with the macroscopic contact angle $\theta_e$. On the mesoscale, wettability is modeled by…
We present a probabilistic approach to water-water hydrogen bonding that allows one to obtain an analytic expression for the number of bonds per water molecule as a function of both its distance to a hydrophobic particle and hydrophobe…
Hypothesis: Surrounding fluids affect critically drop wetting dynamics in many applications involving viscous environments. Although macroscopic effects of outer fluid viscosity on contact line motion have been documented, the extent to…
Wettability is a fundamental physicochemical property of solid surfaces, with unique wettability patterns playing pivotal roles across diverse domains. Inspired by nature's ingenious designs, bio-inspired materials have emerged as a…
We use a density functional approach to calculate the contact angle of the water model on a heterogeneous, graphite-like surface. The surface heterogeneity results from the pre-adsorption of a layer of spherical species. The pre-adsorbed…
We report a molecularly-augmented continuum-based computational model of dynamic wetting and apply it to the displacement of an externally-driven liquid plug between two partially-wetted parallel plates. The results closely follow those…
Based on recent studies on hydrophobic interactions, it is devoted to investigate the directional nature of hydrophobic interactions. It means that the hydrophobic interactions are dependent on the relative orientations as the solutes tend…
A theoretical model for the effect of water hydrogen bonding on the thermodynamics of hydrophobic hydration is proposed as a combination of the classical density functional theory with the recently developed probabilistic approach to water…
A theoretical approach is developed to quantify hydrophobic hydration and interactions on a molecular scale, with the goal of gaining insight into the molecular origins of hydrophobic effects. The model is based on the fundamental relation…
Microdrop impact and spreading phenomena are explored as an interface formation process using a recently developed computational framework. The accuracy of the results obtained from this framework for the simulation of high deformation…