Wetting interfacial diagram for equal-sized binary Lennard-Jones fluid mixtures.

We explore the wetting behavior along all possible three-phase lines of equal-sized Lennard-Jones fluid binary mixtures via direct coexistence molecular dynamics simulations. We build a wetting interfacial diagram in which partial, perfect, first-order, and second-order wetting transition regions are characterized, along with their corresponding wetting transition temperatures for Type II and Type III mixtures, according to the van Konynenburg and Scott classification. By analyzing the fluid molecular interactions, we reveal the driving forces behind the different wetting behaviors and discuss their dependence on the ζ and Λ energetic coordinates of the global phase diagram.