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Effect of the Fraction and Size of Polar Groups on the Formation of Compact Conformations of a Polymer Chain with Variable Stiffness in Low-Polar Media

  • ON THE 80th ANNIVERSARY OF THE BIRTH OF A. B. ZEZIN
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Abstract

The conformational behavior of a single semiflexible polymer chain with a variable fraction of polar groups (dipoles) is studied by the molecular dynamics method. Dipoles of the chain are simulated as two oppositely charged beads, one of which belongs to the backbone and another bead is a side group. The charged bead of the side group may freely rotate around the backbone, and the size of the side bead and the distance between oppositely charged groups (dipole length) are varied. The main attention is focused on studying the effect of backbone stiffness and an interplay of excluded volume and electrostatic interactions on the conformational behavior of a chain and the structure of multiplets formed due to a strong electrostatic attraction in low-polar media.

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ACKNOWLEDGMENTS

The study was carried out using the equipment of the shared research facilities of HPC computing resources at Lomonosov Moscow State University.

Funding

This work was supported by the Russian Ministry of Education and Science, Grant of the Government of the Russian Federation no. 14.W03.31.0018. Yu.D. Gordievskaya is grateful to the Foundation for the Advancement of Theoretical Physics and Mathematics BASIS.

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Authors and Affiliations

  1. Faculty of Physics, Moscow State University, 119991, Moscow, Russia

    Yu. D. Gordievskaya & E. Yu. Kramarenko

  2. A.N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 119991, Moscow, Russia

    Yu. D. Gordievskaya & E. Yu. Kramarenko

Authors
  1. Yu. D. Gordievskaya
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  2. E. Yu. Kramarenko
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Correspondence to E. Yu. Kramarenko.

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Translated by T. Soboleva

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Gordievskaya, Y.D., Kramarenko, E.Y. Effect of the Fraction and Size of Polar Groups on the Formation of Compact Conformations of a Polymer Chain with Variable Stiffness in Low-Polar Media. Polym. Sci. Ser. B 61, 704–714 (2019). https://doi.org/10.1134/S1560090419060046

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