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Self-Assembling Polymer Nanocomposites Based on Symmetric Diblock Copolymers: Mesoscopic Modeling

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Abstract

A polymer nanocomposite based on a symmetrical AB diblock copolymer filled with planar nanoparticles (NPs) has been studied by the dissipative particle dynamics method. The developed model predicts that NPs can reduce the threshold of thermodynamic incompatibility of blocks A and B, above which microphase separation of the polymer matrix occurs to give a lamellar phase. Depending on the features of the polymer/NP interaction, two types of stable orientations of the NP plane are formed: along and across the lamellar domains. This effect can be used to control the distribution of NPs in multiphase polymeric materials.

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ACKNOWLEDGMENTS

We are grateful to A.A. Gavrilov for the DPD simulation program. The research has been carried out using the equipment of the shared research facilities of HPC resources at Moscow State University [18]. The data postprocessing was performed using the facilities of the Interlaboratory Computer Center at Nesmeyanov Institute of Organoelement Compounds, RAS, supported by the Ministry of Science and Higher Education of the Russian Federation.

Funding

The study was supported by the Ministry of Science and Higher Education of the Russian Federation (Agreement no. 075-15-2020-794) at Nesmeyanov Institute of Organoelement Compounds, RAS.

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Authors and Affiliations

  1. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 119991, Moscow, Russia

    P. V. Komarov, M. D. Malyshev, P. G. Khalatur &  A. R. Khokhlov

  2. Tver State University, 170100, Tver, Russia

    P. V. Komarov & M. D. Malyshev

  3. Moscow State University, 119899, Moscow, Russia

    A. R. Khokhlov

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  1. P. V. Komarov
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  2. M. D. Malyshev
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  3. P. G. Khalatur
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  4. A. R. Khokhlov
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Correspondence to P. V. Komarov.

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Translated by G. Kirakosyan

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Komarov, P.V., Malyshev, M.D., Khalatur, P.G. et al. Self-Assembling Polymer Nanocomposites Based on Symmetric Diblock Copolymers: Mesoscopic Modeling. Dokl Phys Chem 504, 84–88 (2022). https://doi.org/10.1134/S0012501622600152

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  • DOI: https://doi.org/10.1134/S0012501622600152

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