A unified description of hydrophilic and superhydrophobic surfaces in terms of the wetting and drying transitions of liquids.

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 comprehensive and unified understanding of the physics of wetting and drying phase transitions. Using various theoretical and simulational techniques applied to realistic fluid models, we elucidate how the character of these transitions depends sensitively on both the range of fluid-fluid and substrate-fluid interactions and the temperature.

Drying and wetting transitions of a Lennard-Jones fluid: Simulations and density functional theory.

We report a theoretical and simulation study of the drying and wetting phase transitions of a truncated Lennard-Jones fluid at a flat structureless wall. Binding potential calculations predict that the nature of these transitions depends on whether the wall-fluid attraction has a long ranged (LR) power law decay or is instead truncated, rendering it short ranged (SR). Using grand canonical Monte Carlo simulation and classical density functional theory, we examine both cases in detail.

Critical Drying of Liquids.

We report a detailed simulation and classical density functional theory study of the drying transition in a realistic model fluid at a smooth substrate. This transition (in which the contact angle θ→180°) is shown to be critical for both short-ranged and long-ranged substrate-fluid interaction potentials. In the latter case critical drying occurs at exactly zero attractive substrate strength.