模拟外部电场对碳纳米管内水粘度的影响
Mojtaba Farrokhbin1, Amir Lohrasebi2
1Department of Physics, University of Isfahan, Isfahan, 8174673441, Iran.
The European physical journal. E, Soft matter
|October 9, 2023
概括
外部电场改变了碳纳米管 (CNT) 中的水结构和粘度. 效果取决于CNT的大小,较小的管道显示粘度增加,较大的管道显示在电场下粘度降低.
科学领域:
- 计算化学是一种计算化学.
- 材料科学是一种材料科学.
- 物理化学 物理化学
背景情况:
- 封闭会显著改变水的特性.
- 碳纳米管 (CNTs) 提供了独特的纳米环境.
- 外部电场可以影响分子行为.
研究的目的:
- 研究电场和CNT限制对水结构和粘度的联合影响.
- 阐明CNT半径在调节这些效应中的作用.
主要方法:
- 平衡分子动力学模拟.
- 分析辐射分布函数和密度配置文件.
- 应用不同的电场频率和强度.
主要成果:
- 由于拓限制,水分子在CNT中形成了分层结构.
- 外部电场会破坏有序的水结构.
- 在电场下,粘度在较小的CNT (<13.5 Å) 中增加,但在较大的CNT (>13.5 Å) 中降低.
结论:
- 封闭和电场的协同效应取决于大小.
- 电场可以用来调整CNT中水的粘度.
- 研究结果提供了对在外部刺激下纳米级流体行为的见解.
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