Related papers: Wettability from Diffusion: A Universal Molecular …
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…
Solvent plays an important role in the relative motion of nanoscopic bodies, and the study of such phenomena can help elucidate the mechanism of hydrophobic assembly, as well as the influence of solvent-mediated effects on in vivo motion in…
In this work, we question the generally accepted statement that the character of intermolecular interactions can be directly determined from the scaling exponent. Based on detailed studies of polyatomic molecular systems with precisely…
The change in contact angles due to the injection of low salinity water or any other wettability altering agent in an oil-rich porous medium is modeled by a network model of disordered pores transporting two immiscible fluids. We introduce…
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…
The dropwise condensation underneath a horizontal super-hydrophobic surface having unidirectional wettability gradient is modeled with implication to enhance the rate of condensation. The mathematical model includes nucleation, growth by…
A droplet that impacts onto a solid substrate deforms in a complex dynamics. To extract the principal mechanisms that dominate this dynamics we deploy numerical simulations based on the phase field method. Direct comparison with experiments…
Post impingement morphology and dynamics of water droplets on convex cylindrical surfaces has been explored experimentally. Droplet impact and post-impact feature studies have been conducted on hydrophillic and superhydrophobic cylindrical…
Cellular uptake of nanoplastics is instrumental in their environmental accumulation and transfer to humans through the food chain. Despite extensive studies using spherical plastic nanoparticles, the influence of the morphological…
We reconcile two scaling laws that have been proposed in the literature for the slip length associated with a moving contact line in diffuse interface models, by demonstrating each to apply in a different regime of the ratio of the…
We present an extension of our recently introduced molecular density functional theory of water [G. Jeanmairet et al., J. Phys. Chem. Lett. 4, 619, 2013] to the solvation of hydrophobic solutes of various sizes, going from angstroms to…
We consider the lateral diffusion of a protein interacting with the curvature of the membrane. The interaction energy is minimized if the particle is at a membrane position with a certain curvature that agrees with the spontaneous curvature…
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…
Frictional properties of interfaces with dynamic chemical bonds have been the subject of intensive experimental investigation and modeling, as it provides important insights into the molecular origin of the empirical rate and state laws,…
A dynamic wetting problem is studied for a moving thin fiber inserted in fluid and with a chemically inhomogeneous surface. A reduced model is derived for contact angle hysteresis by using the Onsager principle as an approximation tool. The…
An investigation of the effect of surface diffusion in random deposition model is made by analytical methods and reasoning. For any given site, the extent to which a particle can diffuse is decided by the morphology in the immediate…
Dynamic wetting plays an important role in the physics of multiphase flow, and has significant influence on many industrial and geotechnical applications. In this work, a modified smoothed particle hydrodynamics (SPH) model is employed to…
Using analytical calculations and computer simulations we consider both the lateral diffusion of a membrane protein and the fluctuation spectrum of the membrane in which the protein is embedded. The membrane protein interacts with the…
The wetting of soft elastic substrates exhibits many features that have no counterpart on rigid surfaces. Modelling the detailed elastocapillary interactions is challenging, and has so far been limited to single contact lines or single…
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…