Related papers: Ab-initio-based Interface Modeling and Statistical…
Ab initio thermodynamics is a widespread, computationally efficient approach to predict the stable configuration of a surface in contact with a surrounding (gas or liquid) environment. In a prevalent realization of this approach, this…
The study of wetting phenomena is of great interest due to the multifaceted technological applications of hydrophobic and hydrophilic surfaces. The theoretical approaches proposed by Wenzel and later by Cassie and Baxter to describe the…
Accurate estimation of surface wettability for various degrees of hydrophobicity becomes increasingly important in the molecular design of membrane. In this paper, we develop simple yet physically realistic model for estimating contact…
Contact angle is an essential physical quantity that characterizes the wettability of a substrate. Although it is widely used in the studies of surface wetting, capillary phenomena and moving contact lines, measuring contact angles in…
First-principles density-functional theory and supercell models are employed to calculate the adsorption of water molecules on the Cu(100) surface. In agreement with the experimental observations, the calculations show that a H2O molecule…
Droplets on hydrophobic surfaces are ubiquitous in microfluidic applications and there exists a number of commonly used multicomponent and multiphase lattice Boltzmann schemes to study such systems. In this paper we focus on a popular…
Given the importance of dynamic contact angle, its numerous applications and the complexity and difficulty of use of available approaches, here we present a new simple semi-empirical models for estimation of dynamic contact angle's…
We theoretically investigate the apparent contact angle and contact angle hysteresis of a droplet placed on a liquid infused surface. We show that the apparent contact angle is not uniquely defined by material parameters, but also has a…
Contact angle is an essential characteristic in wetting, capillarity and moving contact line; however, although contact angle phenomena are effectively simulated, an accurate and real-time measurement for contact angle has not been well…
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…
Hypothesis: Understanding contact angle hysteresis on rough surfaces is important as most industrially relevant and naturally occurring surfaces possess some form of random or structured roughness. We hypothesise that hysteresis originates…
Contact angle is an important parameter in characterizing the wetting properties of fluids. The most common methods for measuring the contact angle is to measure it directly from the profile curve of a sessile drop, a method with certain…
We introduce an accurate and efficient method for characterizing surface wetting and interfacial properties, such as the contact angle made by a liquid droplet on a solid surface, and the vapor-liquid surface tension of a fluid. The method…
The wetting of solid surfaces by fluids is a problem of great practical importance that has been extensively studied over the years. Most often, the experimental work has involved measurements of the contact angle made by a liquid on the…
We construct a novel model for the steady-state contact angles of liquid droplets at the wetted substrate. The non-removable, thin liquid film covering the substrate is governed by the intermolecular forces between molecules of liquid and…
Bimetallic alloys have drawn extensive attentions in materials science due to their widespread applications in electronics, engineering and catalysis. A very fundamental question of alloy is its surface segregation phenomenon. Many recent…
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…
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…
Monatomic and molecular hydrogen and also oxygen, as well as water molecules and OH that are exposed to atomic copper in intimate contact have been studied theoretically using computational methods. The authors optimized moderately large…
We theoretically investigate the apparent contact angle of droplets on liquid infused surfaces as a function of the relative size of the wetting ridge and the deposited droplet. We provide an intuitive geometrical interpretation whereby the…