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Hydrodynamic density functional theory (DFT) is applied to analyse dynamic contact angles of droplets in order to assess its predictive capability regarding wetting phenomena at the microscopic scale and to evaluate its feasibility for…

Fluid Dynamics · Physics 2025-08-06 Benjamin Bursik , Rolf Stierle , Hamza Oukili , Martin Schneider , Gernot Bauer , Joachim Gross

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…

Statistical Mechanics · Physics 2011-10-25 S. Prestipino , P. V. Giaquinta

The contact angle of a liquid droplet on a solid surface is a direct measure of fundamental atomic-scale forces acting between liquid molecules and the solid surface. In this work, the validity is assessed of a simple equation, which…

Soft Condensed Matter · Physics 2008-03-18 R. Garcia , K. Osborne , E. Subashi

This work assesses a classical density functional theory (DFT) model for predicting macroscopic static contact angles of pure substances and mixtures by comparison to own experimental data. We employ a DFT with a Helmholtz energy functional…

Fluid Dynamics · Physics 2025-06-27 Benjamin Bursik , Nikolaos Karadimitriou , Holger Steeb , Joachim Gross

Wetting transitions have been predicted and observed to occur for various combinations of fluids and surfaces. This paper describes the origin of such transitions, for liquid films on solid surfaces, in terms of the gas-surface interaction…

Materials Science · Physics 2015-05-13 Silvina M. Gatica , Milton W. Cole

Clarifying the factors that control the contact angle of a liquid on a solid substrate is a long-standing scientific problem pertinent across physics, chemistry and materials science. Progress has been hampered by the lack of a…

Statistical Mechanics · Physics 2019-11-11 Robert Evans , Maria C. Stewart , Nigel B. Wilding

We present a theoretical study of wetting phenomena and interactions between liquid-vapor interfaces based on the density functional theory. The focus is mostly on the impact of long-range van der Waals interactions both within the fluid…

Chemical Physics · Physics 2011-11-10 Arik Yochelis , Len M. Pismen

The motion of three-phase contact lines is one of the most relevant research topics of micro- and nano-fluidics. According to many hydrodynamic and molecular models, the dynamics of contact lines is assumed overdamped and dominated by…

Fluid Dynamics · Physics 2022-09-29 Michele Pellegrino , Berk Hess

he contact angle of a liquid droplet on a surface under partial wetting conditions differs for a nanoscopically rough or periodically corrugated surface from its value for a perfectly flat surface. Wenzel's relation attributes this…

Soft Condensed Matter · Physics 2020-06-24 Sergei A. Egorov , Kurt Binder

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…

Soft Condensed Matter · Physics 2018-01-08 Meysam Makaremi , Myung S. Jhon , Meagan S. Mauter , Lorenz T. Biegler

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…

Fluid Dynamics · Physics 2018-05-08 Donggyu Kim , Nicola M. Pugno , Seunghwa Ryu

Wetting of a charged substrate by an electrolyte solution is investigated by means of classical density functional theory applied to a lattice model. Within the present model the pure, i.e., salt-free solvent, for which all interactions are…

Soft Condensed Matter · Physics 2013-06-06 Ingrid Ibagon , Markus Bier , S. Dietrich

We provide novel random surface density functional theory (RSDFT) formulation in the case of geometric heterogeneous surface of solid media which is essential for description of thermodynamic properties of confined fluids. The major…

Statistical Mechanics · Physics 2017-11-22 Timur Aslyamov , Aleksey Khlyupin

Young's law fails on soft solid and liquid substrates where there are substantial deformations near the contact line. On liquid substrates, this is captured by Neumann's classic analysis, which provides a geometrical construction for…

Soft Condensed Matter · Physics 2015-03-13 Robert W. Style , Eric R. Dufresne

The wetting of a charged wedge-like wall by an electrolyte solution is investigated by means of classical density functional theory. As in other studies on wedge wetting, this geometry is considered as the most simple deviation from a…

Soft Condensed Matter · Physics 2018-05-25 Maximilian Mußotter , Markus Bier

Hydrophobic interactions are central to biological self-assembly and soft matter organization, yet their microscopic origins remain debated. A key hallmark is the strengthening of attraction between hydrophobic solutes with increasing…

Soft Condensed Matter · Physics 2025-09-25 Nigel B. Wilding , Francesco Turci

Wetting and drying phenomena are studied for flexible and semiflexible polymer solutions via coarse-grained molecular dynamics simulations and density functional theory calculations. The study is based on the use of Young's equation for the…

Soft Condensed Matter · Physics 2022-02-16 Jiarul Midya , Sergei A. Egorov , Kurt Binder , Arash Nikoubashman

We present a theory for the interfacial wetting phase behaviour of binary liquid mixtures on rigid solid substrates, applicable to both miscible and immiscible mixtures. In particular, we calculate the binding potential as a function of the…

Soft Condensed Matter · Physics 2024-02-02 Mounirah Areshi , Dmitri Tseluiko , Uwe Thiele , Benjamin D. Goddard , Andrew J. Archer

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…

Within mean-field theory we study wetting of elastic substrates. Our analysis is based on a grand canonical free energy functional of the fluid number density and of the substrate displacement field. The substrate is described in terms of…

Soft Condensed Matter · Physics 2019-11-06 M. Napiórkowski , L. Schimmele , S. Dietrich