Adsorption of Linear and Cyclic Multiblock Copolymers from Selective Solvent. A Monte Carlo Study

Abstract

AbstractA systematic study of the adsorption of linear and cyclic chains on a planar surface is carried out through extensive computer simulations. 3D homopolymer and multiblock copolymer chains are studied. No atomic details are taken into consideration and polymer chains are modeled as sequences of statistical segments on a cubic lattice. Adsorption of macromolecules on a homogenous flat surface is studied at different solvent conditions. Homopolymers are built of solvophobic segments while copolymers are formed of solvophilic and solvophobic blocks. A Monte Carlo simulation employing the Replica Exchange technique is used. The main question is how the chain sequence, the internal architecture, the strength of adsorption, and the solvent quality influence the macromolecular structure. It is also shown that the differences in size and in parameters of adsorption between cyclic and linear chains are relatively small. The increase in the number of solvophobic blocks has a significant impact on a chain size and coil‐to‐globule transition while the critical adsorption temperature is less sensitive in the sequence.