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

IF 1.1 4区 化学 Q4 CHEMISTRY, PHYSICAL Doklady Physical Chemistry Pub Date : 2023-01-30 DOI:10.1134/S0012501622600152
P. V. Komarov, M. D. Malyshev, P. G. Khalatur,  A. R. Khokhlov
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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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基于对称双嵌段共聚物的自组装聚合物纳米复合材料:介观模拟
采用耗散粒子动力学方法研究了对称AB二嵌段共聚物填充平面纳米粒子的聚合物纳米复合材料。所建立的模型预测NPs可以降低A和B的热力学不相容阈值,在此阈值以上聚合物基体发生微相分离,形成层状相。根据聚合物/NP相互作用的特点,形成了两种稳定的NP平面取向:沿层状畴和跨层状畴。该效应可用于控制NPs在多相聚合物材料中的分布。
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来源期刊
Doklady Physical Chemistry
Doklady Physical Chemistry 化学-物理化学
CiteScore
1.50
自引率
0.00%
发文量
9
审稿时长
6-12 weeks
期刊介绍: Doklady Physical Chemistry is a monthly journal containing English translations of current Russian research in physical chemistry from the Physical Chemistry sections of the Doklady Akademii Nauk (Proceedings of the Russian Academy of Sciences). The journal publishes the most significant new research in physical chemistry being done in Russia, thus ensuring its scientific priority. Doklady Physical Chemistry presents short preliminary accounts of the application of the state-of-the-art physical chemistry ideas and methods to the study of organic and inorganic compounds and macromolecules; polymeric, inorganic and composite materials as well as corresponding processes. The journal is intended for scientists in all fields of chemistry and in interdisciplinary sciences.
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