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Self-assembly in Solutions of Amphiphilic Homopolymers: Computer Modeling and Analytical Theory
Macromolecules ( IF 5.5 ) Pub Date : 2020-06-12 , DOI: 10.1021/acs.macromol.0c00572
Aleksandr I. Buglakov 1, 2 , Daniil E. Larin 1 , Valentina V. Vasilevskaya 1
Affiliation  

The main feature of amphiphilic homopolymers is the effective surface activity of their monomer units, due to which, in selective solvent, they can aggregate into various structures, some of which resemble those formed by low-molecular surfactants and are prospective in many practical applications. The paper aims to address dilute solutions of amphiphilic homopolymers and to reveal the features of their self-assembly depending on the solvent selectivity and the relative solvent quality for solvophobic and solvophilic groups of monomer units. The calculations, performed in the framework of dissipative particle dynamics (DPD), allowed us to find various morphological aggregates, to analyze details of their structure, and to determine the field of their stability. The results are presented in the form of a diagram and described in the framework of original analytical theory.

中文翻译:

两性均聚物溶液中的自组装:计算机建模和分析理论

两亲均聚物的主要特征是其单体单元的有效表面活性,由于其在选择性溶剂中可以聚集成各种结构,其中一些类似于由低分子表面活性剂形成的结构,并且在许多实际应用中具有前景。本文旨在解决两亲均聚物的稀溶液,并揭示其自组装的特征,这取决于单体单元的疏溶剂基团和亲溶剂基团的溶剂选择性和相对溶剂质量。在耗散粒子动力学(DPD)框架内进行的计算使我们能够找到各种形态的聚集体,分析其结构的详细信息,并确定其稳定性领域。
更新日期:2020-06-23
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