Molecular theory of the tilting transition and computer simulations of the tilted lamellar phase of rod-coil diblock copolymers

Osipov, M. A. and Gorkunov, M. V. and Berezkin, A. V. and Antonov, A. A. and Kudryavtsev, Y. V. (2020) Molecular theory of the tilting transition and computer simulations of the tilted lamellar phase of rod-coil diblock copolymers. Journal of Chemical Physics, 152 (18). 184906. ISSN 0021-9606

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    Abstract

    Symmetric rod-coil diblock copolymers have been simulated using the method of dissipative particle dynamics in the broad range of the Flory-Huggins parameter. It has been found that the tilted lamellar phase appears to be the most stable one at strong segregation. The rod-coil copolymer tilt angle and orientational order parameters have been determined as functions of the segregation strength. The density functional theory of rod-coil diblock copolymers has been generalized to the case of the tilted lamellar phase and used to study the stability of the orthogonal lamellar phase with respect to tilt. The orthogonal phase indeed appears to be unstable in the broad region of the parameter space in the case of relatively strong segregation. It has also been shown that the transition into the tilted lamellar phase is determined by a strong coupling between two independent tilt order parameters.

    ORCID iDs

    Osipov, M. A. ORCID logoORCID: https://orcid.org/0000-0002-1836-1854, Gorkunov, M. V., Berezkin, A. V., Antonov, A. A. and Kudryavtsev, Y. V.;