title: Modeling of wetting: a study of nanowetting at rough and heterogeneous surfaces.
abstract: Molecular dynamics simulations were performed to study the behavior of nanoscale water droplets at solid surfaces. Simulations of droplets on heterogeneous patterned surfaces show that the relative sizes of the domains and the droplets play an important role as do the interactions between the solid and the liquid, particularly when the domain width is comparable to the droplet radius. For pillar surfaces, a transition is observed between the Wenzel and the Cassie and Baxter regimes with increasing pillar height. The effects of pillar width and the gap between the pillars were also examined. The simulations show clearly the importance of the detailed topography and composition of the solid surface.
authors.affiliation: School of Chemistry, University of Bristol, Cantock's Close, Bristol BS8 1TS, U.K.
authors.forename: Mathias
authors.initials: M
authors.lastname: Lundgren
authors.forename: Neil L
authors.initials: NL
authors.lastname: Allan
authors.forename: Terence
authors.initials: T
authors.lastname: Cosgrove
mesh_terms: D055598:Chemical Phenomena; D002621:Chemistry; D003198:Computer Simulation; D008956:Models, Chemical; D013499:Surface Properties; D017155:Wettability