ИСТИНА

Comb-like amphiphilic macromolecules consist of a backbone and side groups, which interact specifically with each other and with different solvents or with different parts of heterogeneous surfaces. Being placed on the boundary between two phases (Fig. 1), such macromolecules can take a variety of conformations. In this case, structure of the macromolecular chain and presence of an interface as spatial constrains are the key factors influencing conformation behavior of a macromolecule. Thus, comb-like amphiphilic macromolecules are prospective for application in controlled polymer systems of different kind. In our work, we studied self-organization and conformational behavior of a single amphiphilic comb-like macromolecule on liquid-solid and liquid-liquid interfaces. The solid phase was represented by a patterned surface with areas, interacting with backbone and side groups of the macromolecule in different way. Liquid phases were selective solvents for backbone and side groups. Varying parameters of interaction between backbone, side groups and the surrounding media, we obtained a number of conformations and investigated transitions between them. Computer simulations were carried out by means of molecular dynamics technique using LAMMPS program package. Acknowledgements. The reported study was funded by RFBR according to the research project No. 16-33-01080 о _a. Computational resources were provided by Supercomputing Center of Moscow State University [1]. References [1] Sadovnichy, V.; Tikhonravov, A.; Voevodin, V.; Opanasenko, V. Contemporary High Performance Computing: From Petascale toward Exascale, J. S. Vetter, CRC Press, Boca Raton, 2013.