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Stepwise study on Janus-like particles fabricated by polymeric mixtures within soft droplets: a Monte Carlo simulation

机译：由软液滴内的聚合物混合物制成的类Janus颗粒的逐步研究：蒙特卡洛模拟

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Using Monte Carlo simulations, a stepwise study (from simple to complex) is followed to investigate Janus particles self-assembled from polymer mixtures within soft droplets. When the polymer mixtures are changed from a homopolymer/homopolymer (A/D) mixture to a diblock copolymer/homopolymer (AB/D) mixture and then to a triblock copolymer/homopolymer (ABC/D) mixture, the self-assembled structures transform from classic Janus particles to hierarchical Janus structures with novel hemi-domains. The effects of the incompatibility between two components, polymer–solvent interactions and the ratio of two components of the mixture on the Janus structure are systematically examined. It is found that the Janus structure is highly related to the incompatibility between two components of the mixture, while the sizes of the two hemispheres in a Janus particle can be well tuned by adjusting the ratio of the components in the mixture. Moreover, the corresponding incompatibility between two components of the mixture for the transformation point is increased when the mixture is changed from the A/D to the AB/D and then to the ABC/D mixture. More interestingly, it is found that the variation of the aggregation degree of the changed component with time gradually lags behind that of the homopolymer component (D) during the formation of Janus particles when the component in the mixture changes from A to AB and then to ABC. The simulation result could provide theoretical guidance for the preparation of designable Janus particles.
机译：使用蒙特卡洛模拟，进行逐步研究（从简单到复杂），以研究由软液滴内的聚合物混合物自组装而成的Janus颗粒。当聚合物混合物从均聚物/均聚物（A / D）混合物更改为二嵌段共聚物/均聚物（AB / D）混合物，然后变为三嵌段共聚物/均聚物（ABC / D）混合物时，自组装结构发生转变从经典的Janus粒子到具有新型半结构域的分层Janus结构。系统地研究了两种组分之间的不相容性，聚合物与溶剂的相互作用以及混合物中两种组分的比例对Janus结构的影响。发现Janus结构与混合物中两种组分之间的不相容性高度相关，而Janus颗粒中两个半球的大小可以通过调节混合物中各组分的比例来很好地调节。此外，当混合物从A / D变为AB / D，然后变为ABC / D混合物时，对于转变点而言，混合物的两种组分之间相应的不相容性增加。更有趣的是，发现当Janus颗粒形成过程中，当混合物中的组分从A变为AB，然后变为A时，变化的组分的聚集度随时间的变化逐渐落后于均聚物组分（D）的聚集度。 ABC。仿真结果可为可设计的Janus颗粒的制备提供理论指导。

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