Related papers: Short chains at solid surfaces: wetting transition…
The adsorption of Ar on substrates of Li is investigated within the framework of a density functional theory which includes an effective pair potential recently proposed. This approach yields good results for the surface tension of the…
We investigate the atomic hydrogen adsorption on Mg(0001) by using density-functional theory within the generalized gradient approximation and a supercell approach. The coverage dependence of the adsorption structures and energetics is…
An analysis of water clustering is used to study the quasi-2D percolation transition of water adsorbed at planar hydrophilic surfaces. Above the critical temperature of the layering transition (quasi-2D liquid-vapor phase transition of…
A new two-layer model has been proposed to study microscale heat transfer associated with a developing flow boundary layer. As an example, a cold, microscale film of liquid impinging on an isothermal hot, horizontal surface has been…
In the present paper we give a brief summary of some recent theoretical advances in the treatment of inhomogeneous fluids and methods which have applications in the study of dynamical properties of liquids in situations of extreme…
A simple molecular thermodynamic approach is applied to the study of the adsorption of gases of chain molecules on solid surfaces. We use a model based on the Statistical Associating Fluid Theory for Variable Range (SAFT-VR) potentials [A.…
A solid substrate, when exposed to a vapour, can interact with it in such a way that sufficiently close to liquid-vapour coexistence a macroscopically thick liquid wetting layer is formed on the substrate surface. If such a wetting…
Extensive Langevin dynamics simulations are used to characterize the adsorption transition of a flexible magnetic filament grafted onto an attractive planar surface. Our results identify different structural transitions at different ratios…
Using classical density functional theory (DFT) the effect of bringing a liquid crystal (LC) into contact with a porous substrate or matrix is investigated. The DFT used is a combination of the Onsager approximation to evaluate the excess…
We propose that several mechanisms contribute to friction in a polymer melt adsorbed at a structured surface. The first one is the well known disentanglement of bulk polymer chains from the surface layer. However, if the surface is ideal at…
We use the classical version of the density-functional theory in the weighted-density approximation to build up the entire phase diagram and the interface structure of a two-dimensional lattice-gas model which is known, from previous…
In part 1, we proposed a model of dynamics of wetting for slow movements near a contact line formed at the interface of two immiscible fluids and a solid when viscous dissipation remains bounded. The contact line is not a material line and…
The adsorption and dissociation of isolated water molecule on Zr(0001) surface are theoretically investigated for the first time by using density-functional theory calculations. Two kinds of adsorption configurations with almost the same…
Protein folding, peptide aggregation and crystallization, as well as adsorption of molecules on soft or solid substrates have an essential feature in common: In all these processes, structure formation is guided by a collective, cooperative…
The phase behavior of hard rectangular rods with length L and diameter D is studied in a narrow slit-like pore using the Parsons-Lee density functional theory. Using the restricted orientation approximation, we find strong adsorption at the…
For a film of liquid on a solid surface, the binding potential $g(h)$ gives the free energy as a function of the film thickness $h$ and also the closely related structural disjoining pressure $\Pi = - \partial g / \partial h$. The wetting…
Density functional theory within the generalized-gradient approximation is used to study the adsorption of the isocyanides CNH and CNCH3 on the gold (111) surface at several coverages. It is found that these molecules are highly selective…
Wetting is fundamental to many technological applications that involve the motion of the fluid-fluid interface on a solid. While static wetting is well understood in the context of thermodynamic equilibrium, dynamic wetting is more…
When a solid plate is withdrawn from a partially wetting liquid, a liquid layer dewets the moving substrate. High-speed imaging reveals alternating thin and thick regions in the entrained layer in the transverse direction at steady state.…
Conventional wetting theories on rough surfaces with Wenzel, Cassie-Baxter, and Penetrate modes suggest the possibility of tuning the contact angle by adjusting the surface texture. Despite decades of intensive study, there are still many…