研究未纠的聚二甲基结构和动态
Weikang Xian1, Jinlong He1, Amitesh Maiti2
1Department of Mechanical Engineering, University of Wisconsin-Madison, Madison, WI 53706-1572, USA. yli2562@wisc.edu.
Soft matter
|June 6, 2023
概括
将基添加到聚氧聚合物中会扩大链条大小,并显著减缓链条运动. 本研究研究了影响聚合物性能的复杂结构和动态变化.
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
- 计算化学的计算化学
背景情况:
- 聚氧,特别是聚甲氧,是具有温度依赖的机械性质的重要聚合物.
- 结合基单元可以增强低温弹性,并扩大操作温度范围.
- 由于替代的微观性质变化是已知的,但尚未完全理解.
研究的目的:
- 系统地研究随机聚二甲基-协同-二) 二氧化共聚合物的结构和动态.
- 阐明不同基含量对聚合物链行为的影响.
- 了解基替代聚氧中结构和动态变化的相互作用.
主要方法:
- 使用了原子学分子动力学模拟.
- 二基成分 (φ) 的摩尔比率的系统变化.
- 对链条大小,链条动态和扩散性的分析.
主要成果:
- 增加二含量 (φ) 会导致线性共聚合物链大小的扩大.
- 随着二含量的增加,链的扩散性下降超过一个数量级.
- 观察到的扩散率的减少是由于结构和动态变化的复杂相互作用造成的.
结论:
- 替代显著改变了多氧链的大小和动态.
- 观察到的链动力学变化是复杂的,并且取决于含量.
- 这项研究提供了更深入的理解结构-属性关系在修改的多.
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