Complexation in Weakly Attractive Copolymers with Varying Composition and Topology: Linking Fluorescence Experiments and Molecular Monte Carlo Simulations
Complexation in Weakly Attractive Copolymers with Varying Composition and Topology: Linking Fluorescence Experiments and Molecular Monte Carlo Simulations
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DOI：
10.1021/acs.macromol.6b01786
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发表时间：
2016-11-22
期刊：
影响因子：
5.5
通讯作者：
Schneider, Stefanie
中科院分区：
文献类型：
--
作者：
Hebbeker, Pascal;Steinschulte, Alexander A.;Schneider, Stefanie
通过实验和Monte Carlo模拟研究了杂臂星星聚合物和嵌段共聚物中分子内络合物的形成。复合体形成的驱动力是不同块体之间的相互吸引作用。在模拟中，一个简单的珠弹簧模型与一个有吸引力的Lennard-Jones势被用来模拟络合。模拟了拓扑结构（臂数）和组成（臂长）的影响。在实验上，星形聚合物系统和二嵌段共聚物的聚（环氧丙烷）（PPO）和聚（甲基丙烯酸二甲氨基乙酯）（PDMAEMA）的不同聚合度进行了研究。通过定量的配合物的形成与荧光光谱的极性敏感探针的帮助下，我们表明，形成复合物优选在高聚合度的PDMAEMA和大量的PDMAEMA臂。这些结果与模拟一致：我们表明复合物中PPO的实际量与荧光染料摄取相关。
The intramolecular complex formation occurring in miktoarm star polymers and block copolymers is investigated experimentally and by means of Monte Carlo simulations. The driving force of the complex formation is an attractive interaction between the different blocks. In the simulations, a simple bead-spring model with an attractive Lennard-Jones potential is used to mimic the complexation. The effect of topology (arm number) and composition (arm length) is simulated. Experimentally, star-shaped polymeric systems and diblock copolymers of poly(propylene oxide) (PPO) and poly(dimethylaminoethyl methacrylate) (PDMAEMA) of varying degrees of polymerization are investigated. By quantifying the complex formation with help of fluorescence spectroscopy of a polarity-sensitive probe, we show that a complex is formed preferably at high degrees of polymerization of PDMAEMA and a high number of PDMAEMA arms. These results are in accordance with the simulations: we show that the actual amount of PPO in the complex correlates with the fluorescence dye uptake.