可电离块共聚合物组件对溶剂介电物的反应:一个分子动力学研究
Manjula Senanayake1,2, Dipak Aryal1, Gary S Grest3
1Department of Chemistry, Clemson University, Clemson, South Carolina 29631, USA.
The Journal of chemical physics
|November 20, 2023
概括
电离性共聚合物组合形成核心外小,由离子集群驱动. 这些微粒中的块构成受硫化,溶剂极性和介电常数的影响.
科学领域:
- 聚合物科学 聚合物科学
- 材料科学 材料科学 材料科学
- 物理化学 物理化学
背景情况:
- 溶液中的可电离性共聚合物组件由离子集群形成控制.
- 快速聚类可能导致非平衡结构,影响聚合物膜特性和应用.
研究的目的:
- 为了研究静电学对电离性共聚合物微粒形成的影响.
- 确定控制结构性电离性共聚合物的组装的因素.
主要方法:
- 采用了大规模的原子学分子动力学模拟.
- 使用了一个对称的pentablock电离性共聚合物模型系统.
- 模拟在具有介电常数从2到20的溶剂中进行.
主要成果:
- 同聚合物始终形成核心-外小,可电离的部分定位在核心.
- 微粒结构是独立于溶剂的,但块形状变化很大.
- 构造对硫化水平,溶剂介电常数和溶剂极性敏感.
结论:
- 静电相互作用对于可电离性共聚物自组装成微粒至关重要.
- 溶剂特性和聚合物特性决定了这些组件中的特定形状.
- 了解这些因素是控制目标应用的共聚合物组件的关键.
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