相关论文: Assessment of Physical Properties of Water Repelle…
The fate of organic pollutants in the environment is influenced by several factors including the type and strength of their interactions with soil components especially SOM. However, a molecular level answer to the question How organic…
Superhydrophobic surfaces with the self-cleaning behavior of lotus leaves are sought for drag reduction and phase change heat transfer applications. These superrepellent surfaces have traditionally been fabricated by random or deterministic…
Because the superhydrophobic characteristic appears by forming a composite surface consisting of solid and air underneath the droplets, a large number of rough surfaces that can trap air have been fabricated. Recently, the air trapping on…
We present an overview of the recent progress that has been made in understanding the origin of hydrophobic interactions. We discuss the different character of the solvation behavior of apolar solutes at small and large length scales. We…
We experimentally explore pressure-driven flow of water and n-hexane across nanoporous silica (Vycor glass monoliths with 7 or 10 nm pore diameters, respectively) as a function of temperature and surface functionalization (native and…
We examine the effective force between two nanometer scale solutes in water by Molecular Dynamics simulations. Macroscopic considerations predict a strong reduction of the hydrophobic attraction between solutes when the latter are charged.…
Water is a key component of life, the natural environment and human health. For monitoring the conditions of a water body, the chlorophyll a concentration can serve as a proxy for nutrients and oxygen supply. In situ measurements of water…
Shape transformations of amphiphilic molecular assemblies induced by chemical reaction are studied using coarse-grained molecular simulations. A binding reaction between hydrophilic and hydrophobic molecules is considered. It is found that…
In this manuscript, we present a general computational method for characterizing the molecular structure of liquid water interfaces as sampled from atomistic simulations. With this method, the interfacial structure is quantified based on…
A numerical model is proposed to simulate the adhesion, compression, and subsequent detachment of a micro-liter droplet from a superhydrophobic surface composed of chemically homogeneous pillars arranged in a periodic fashion, replicating a…
Understanding how submerged vegetation modifies the water surface is crucial for modeling momentum exchange between shallow waters and the atmosphere. In particular, quantifying its impact on the equivalent aerodynamic roughness of the…
Atmosphere-breathing electric propulsion systems harness atmospheric particles as propellant, enabling efficient operation across diverse environmental conditions. To accurately simulate the captured gas flow through the modules,…
Patches of catalyst imprinted on supporting walls induce motion of the fluid around them once they are supplied with the chemical species (``fuel'') that are converted by the catalytic chemical reaction. While the functioning of such…
We study a single statistical amphiphilic copolymer chain AB in a selective solvent (e.g.water). Two situations are considered. In the annealed case, hydrophilic (A) and hydrophobic (B) monomers are at local chemical equilibrium and both…
The hydrodynamics associated with water-entry of spheres can be highly variable with respect to the material and kinematic properties of the sphere. This series of five fluid dynamics videos illustrates several subtle but interesting…
We show that hydrophilic ions present in a confined, near-critical aqueous mixture can lead to an attraction between like charge surfaces with opposing preferential adsorption of the two species of the mixture, even though the corresponding…
Nanoscopic pores are used in various systems to attract nanoparticles. In general the behaviour is a result of two types of interactions: the material specific affinity and the solvent-mediated influence also called the depletion force. The…
Water and water-mediated interactions determine thermodynamic and kinetics of protein folding, protein aggregation and self-assembly in confined spaces. To obtain insights into the role of water in the context of folding problems, we…
Weakly bound, physisorbed hydrocarbons could in principle provide a similar water-repellency as obtained by chemisorption of strongly bound hydrophobic molecules at surfaces. Here we present experiments and computer simulations on the…
We perform the analysis of predictions of a classical density functional theory for associating fluids with different association strength concerned with wetting of solid surfaces. The four associating sites water-like models with…