Understanding Wetting Transitions Using Molecular Simulation

摘要: The thermophysical and transport properties of fluid at nanoscale, adjacent to the solid surface, are quite different from that macroscopic level. It has been realized behavior can be tuned via modification surfaces, which unfold underlying physics or mechanism many biochemical processes phenomena exist in nature. In this chapter, we mainly emphasize characteristic equilibrium complex fluids near surfaces. particular, investigate types surface phase transitions such as layering transition, prewetting 2D vapor-liquid transition for associating (hydrogen-bond-forming) using molecular simulations. These phases altered controlled chemically modified surfaces tune structure stability adsorbed layers. addition, wetting amphiphilic molecules water ethanol their mixture on smooth rough is examined based contact angle liquid droplet surface. Different modes Cassie-Baxter, Wenzel, impregnation a observed function roughness factor, fraction, composition binary mixture. effect electric field under nanoconfinement also presented. Further, discuss thin films.