Although the behavior of the confined semi-dilute solutions of self-assembling copolymers represents an important topic of basic and applied research, it has eluded the interest of scientists. Extensive series of dissipative particle dynamics simulations have been performed on semi-dilute solutions of A5B5 chains in a selective solvent for A in slits using a DL-MESO simulation package. Simulations of corresponding bulk systems were performed for comparison. This study shows that the associates in the semi-dilute bulk solutions are partly structurally organized. Mild steric constraints in slits with non-attractive walls hardly affect the size of the associates, but they promote their structural arrangement in layers parallel to the slit walls. Attractive walls noticeably affect the association process. In slits with mildly attractive walls, the adsorption competes with the association process. At elevated concentrations, the associates start to form in wide slits when the walls are sparsely covered by separated associates, and the association process prevents the full coverage of the surface. In slits with strongly attractive walls, adsorption is the dominant behavior. The associates form in wide slits at elevated concentrations only after the walls are completely and continuously covered by the adsorbed chains.

• Klíčová slova
• confined copolymer, dissipative particle dynamics, polymer–wall interaction, selective solvent, self-assembly, slit,
• Publikační typ
• časopisecké články MeSH

This review article is addressed to a broad community of polymer scientists. We outline and analyse the fundamentals of the dissipative particle dynamics (DPD) simulation method from the point of view of polymer physics and review the articles on polymer systems published in approximately the last two decades, focusing on their impact on macromolecular science. Special attention is devoted to polymer and polyelectrolyte self- and co-assembly and self-organisation and to the problems connected with the implementation of explicit electrostatics in DPD numerical machinery. Critical analysis of the results of a number of successful DPD studies of complex polymer systems published recently documents the importance and suitability of this coarse-grained method for studying polymer systems.

• Klíčová slova
• assembly, dissipative particle dynamics, polyelectrolyte, polymer,
• Publikační typ
• časopisecké články MeSH
• přehledy MeSH