固定粒子存在对液体结构参数的影响以及结构与局部层面动态之间的相关性
Palak Patel1,2, Sarika Maitra Bhattacharyya1,2
1Polymer Science and Engineering Division, CSIR-National Chemical Laboratory, Pune 411008, India.
The Journal of chemical physics
|April 22, 2024
概括
固定液体中的粒子可以改变它们的结构和动态. 将钉定颗粒视为一个独特的物种,揭示了改变结构性质的相互作用,与此前的信念相反.
科学领域:
- 凝聚物质物理学 凝聚物质物理学
- 统计力学就是统计力学.
- 软物质物理学 软物质物理学
背景情况:
- 理论上,粒子在液体中的固定是为了在不改变结构的情况下减缓动力学.
- 这导致结构和动态之间的相关性崩.
- 现有的模型往往将固定粒子与移动粒子相同地处理.
研究的目的:
- 调查粒子聚合对液体结构和动态的影响.
- 分析固定粒子作为一个独特的物种与相同的粒子之间的作用.
- 在不同的固定密度下重新评估结构动力学相关性.
主要方法:
- 计算对过量的 (S2) 和平均场化潜力 (作为结构顺序参数的逆向,SOP).
- 结构性质 (S2,SOP) 的比较,用于被视为移动的与明显的固定颗粒.
- 对S2和SOP的微观表达的分析,考虑粒子间相互作用.
主要成果:
- 当固定粒子被视为移动时,S2和SOP保持不变,但结构动力学相关性随着固定密度的下降而下降.
- 将固定粒子视为一个独立的物种会改变S2和SOP表达式,固定-移动相互作用的影响更大.
- 与普遍认为的相反,固定确实改变了结构,影响了S2和SOP.
- 考虑到这两种影响,S2和SOP随着固定密度的下降而下降,在更高密度下保持结构动态相关性.
结论:
- 颗粒结可以显著改变液体结构,挑战以前的假设.
- 固定颗粒的处理 (相同或不同的物种) 极大地影响结构分析.
- 固定对结构和动态的影响持续存在,当固定粒子被视为一个单独的实体时,可以更好地理解.
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