Faculty of Physics and ⊥NanoBioMedical Centre, Adam Mickiewicz University , 61-614 Poznan, Poland.
Department of Chemical & Biomolecular Engineering, §Department of Computer Science, ∥Fiber & Polymer Science Program, and #Department of Materials Science & Engineering, North Carolina State University , Raleigh, North Carolina 27695, United States.
ACS Appl Mater Interfaces. 2017 Nov 22;9(46):39940-39944. doi: 10.1021/acsami.7b14298. Epub 2017 Nov 13.
In the presence of a midblock-selective solvent, triblock copolymers not only self-organize but also form a molecular network. Thermoplastic elastomer gels constitute examples of such materials and serve as sealants and adhesives, as well as ballistic, microfluidic, and electroactive media. We perform Monte Carlo and dissipative particle dynamics simulations to investigate the phase behavior and network characteristics of these materials. Of particular interest is the existence of a truncated octahedral morphology that resembles the atomic arrangement of various inorganic species. Both simulation approaches quantify the midblock bridges responsible for network development and thus provide a detailed molecular picture of these composition-tunable soft materials.
在存在中块选择性溶剂的情况下,三嵌段共聚物不仅会自组织,还会形成分子网络。热塑性弹性体凝胶就是此类材料的例子,可用作密封剂和粘合剂,以及弹道、微流控和电活性介质。我们进行蒙特卡罗和耗散粒子动力学模拟,以研究这些材料的相行为和网络特征。特别感兴趣的是存在截角八面体形态,类似于各种无机物质的原子排列。两种模拟方法都量化了负责网络发展的中块桥,从而为这些可组成调谐的软材料提供了详细的分子图像。