Ion-containing polymers have continued to be an important research focus for several decades due to their use as an electrolyte in energy storage and conversion devices. Elucidation of connections between the mesoscopic structure and multiscale dynamics of the ions and solvent remains incompletely understood. Coarse-grained modeling provides an efficient approach for exploring the structural and dynamical properties of these soft materials. The unique physicochemical properties of such polymers are of broad interest. In this review, we summarize the current development and understanding of the structure–property relationship of ion-containing polymers and provide insights into the design of such materials determined from coarse-grained modeling and simulations accompanying significant advances in experimental strategies. We specifically concentrate on three types of ion-containing polymers: proton exchange membranes (PEMs), anion exchange membranes (AEMs), and polymerized ionic liquids (polyILs). We posit that insight into the similarities and differences in these materials will lead to guidance in the rational design of high-performance novel materials with improved properties for various power source technologies.

中文翻译：

---

含离子聚合物的粗粒度建模

几十年来，含离子聚合物因其在能量存储和转换装置中用作电解质而一直是重要的研究焦点。离子和溶剂的介观结构与多尺度动力学之间的联系的阐明仍然不完全清楚。粗粒度建模为探索这些软材料的结构和动力学特性提供了一种有效的方法。这种聚合物独特的物理化学性质引起了广泛的兴趣。在这篇综述中，我们总结了目前对含离子聚合物的结构-性能关系的发展和理解，并提供了对这些材料的设计的见解，这些材料是通过粗粒度建模和模拟确定的，伴随着实验策略的重大进展。我们特别关注三种类型的含离子聚合物：质子交换膜 (PEM)、阴离子交换膜 (AEM) 和聚合离子液体 (polyIL)。我们认为，深入了解这些材料的异同，将为合理设计具有改进性能的各种电源技术的高性能新型材料提供指导。