Structure and Dynamics of [2]Catenane Diblock Copolymers at Liquid/Liquid and Liquid/Solid Interfaces: Effects of Solvent Quality and Surface Chemistry

Recent advancements in catenane synthesis have opened new opportunities to explore the interfacial properties of this novel category of polymers. Understanding the structure and dynamics of catenated polymers at interfaces is particularly critical for their potential applications. In this study, we systematically investigate the effects of solvent quality and surface solvophilicity/solvophobicity on the interfacial properties of [2]catenane diblock copolymers using molecular dynamics simulations. Our detailed characterization reveals how variations in solvent conditions and surface chemistry influence the adsorption modes of the block copolymer at the interface. These findings provide valuable insights into the fundamental adsorption mechanisms of catenane polymers, which are driven by complex interplay between solvent-polymer and polymer-surface interactions.