相关论文: Assessment of Physical Properties of Water Repelle…
By means of Monte Carlo computer simulations in the isothermal-isobaric ensemble, we investigated the interaction of a hydrophobic ligand with the hydrophobic surfaces of various curvatures (planar, convex and concave). A simple…
We study by molecular dynamics simulations the wetting/dewetting transition and the dependence of the free energy on distance between plates that contain both hydrophobic and hydrophilic particles. We show that dewetting and strength of…
Interactions of hydrocarbons (HCs) and clay surfaces are responsible for fluid behaviour within shale reservoirs. These interactions are affected by the diversity of HC components and the variations in environmental conditions. This study…
Modern theories of the hydrophobic effect highlight its dependence on length scale, emphasizing in particular the importance of interfaces that emerge in the vicinity of sizable hydrophobes. We recently showed that a faithful treatment of…
Integral equation theory is applied to a coarse-grained model of water to study potential of mean force between hydrophobic solutes. Theory is shown to be in good agreement with the available simulation data for methane-methane and…
We calculate potentials of the mean force for twenty amino acids in the vicinity of the (111) surface of gold, for several dipeptides, and for some analogs of the side chains, using molecular dynamics simulations and the umbrella sampling…
Drops deposited on rough and hydrophobic surfaces can stay suspended with gas pockets underneath the liquid, then showing very low hydrodynamic resistance. When this superhydrophobic state breaks down, the subsequent wetting process can…
Copper oxide nanostructures with spherical (0D), needle (1D) and hierarchical cauliflower (3D) morphologies are used to demonstrate superhydrophobic, superoleophobic and slippery behavior. These nanostructures are synthesized on galvanized…
The heterogeneous distribution of water-repellent materials at the soil surface causes a phenomenon known as fractional wettability. This condition frequently triggers destabilization of the wetting front during water infiltration,…
We discuss the simple microscopic derivation of a hydrophobic effect. Our approach is based on the standard functional representation of the partition function of interacting classical particles and subsequent passage to collective…
We study the kinetics of assembly of two plates of varying hydrophobicity, including cases where drying occurs and water strongly solvates the plate surfaces. The potential of mean force and molecular-scale hydrodynamics are computed from…
Molecular dynamic simulations were employed to study a water-like model confined between hydrophobic and hydrophilic plates. The phase behavior of this system is obtained for different distances between the plates and particle-plate…
An earlier one-dimensional lattice model of hydrophobic attraction is extended to two and three dimensions and studied by Monte Carlo simulation. The solvent-mediated contribution to the potential of mean force between hydrophobic solute…
Unstructured proteins can modulate cellular responses to environmental conditions by undergoing coil-globule transitions and phase separation. However, the molecular mechanisms of these phenomena still need to be fully understood. Here, we…
The frequency dependence of soil electromagnetic properties contain valuable information of the porous material due to strong contributions to the dielectric relaxation behavior by interactions between aqueous pore solution and mineral…
Wildfires have become one of the biggest natural hazards for environments worldwide. The effects of wildfires are heterogeneous, meaning that the magnitude of their effects depends on many factors such as geographical region, climate and…
We discuss how the wettability and roughness of a solid impacts its hydrodynamic properties. We see in particular that hydrophobic slippage can be dramatically affected by the presence of roughness. Owing to the development of refined…
We investigate the aggregation of amphiphilic molecules by adapting the two-state Muller-Lee-Graziano model for water, in which a solvent-induced hydrophobic interaction is included implicitly. We study the formation of various types of…
We present in this letter an experimental characterization of liquid flow slippage over superhydrophobic surfaces made of carbon nanotube forests, incorporated in microchannels. We make use of a micro-PIV (Particule Image Velocimetry)…
Hydrophobic interfaces have unique physicochemical properties and are used in various chemical products such as food, cosmetics, soap, and medicine and technologies such as pan coating and ski wax. In this chapter, we describe the…