Structure of adsorbed linear and cyclic block copolymers: A computer simulation study

A study of the adsorption of linear and cyclic mutiblock copolymers on a planar surface was performed using extensive computer simulations. A coarse-grained off-lattice model was designed and polymer chains were modeled as sequences of beads forming solvophilic and solvophobic blocks. A Monte Carlo simulation algorithm employing the Replica Exchange technique was used to determine properties of the model chains. The structure of collapsed and adsorbed chains was determined. The increase of the surface attraction and the number of blocks shifted the transition towards lower temperatures. It was also shown that the influence of the macromolecular architecture and the number of blocks in chains on polymer size is weak. (c) 2023 Elsevier B.V. All rights reserved.