纳米通道中封闭水的电共振诱导相变

Yunqiu Ma, Zhigao Zhao, Shaoqian Hao, J. Kou, Jiangxing Chen
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引用次数: 0

摘要

分子动力学模拟研究了纳米通道中的水分子在变化的外部电场作用下的相变。研究发现,纳米通道中水分子的相变是通过改变变化电场的频率实现的。当变化电场频率小于 16 太赫兹或大于 30 太赫兹时,水分子保持冰相,而当变化电场频率为 24 太赫兹时,水分子完全融化。这一现象归因于当变化电场的频率接近氢键的固有共振频率时,氢键断裂。此外,研究还表明临界频率随密闭环境的变化而变化。本研究揭示的纳米通道中水分子相变的新调控机制为进一步了解纳米通道中水分子的相变提供了一个视角,在防冰方面具有巨大的应用潜力。
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Electricity Resonance-Induced Phase Transition of Water Confined in Nanochannels
The phase transition of water molecules in nanochannels under varying external electrical field is studied by molecular dynamics simulations. It is found that the phase transition of water molecules in nanochannels occurs by changing the frequency of the varying electrical field. Water molecules maintain ice phase when the frequency of the varying electrical field is less than 16 THz or greater than 30 THz, and they completely melt at the frequency of varying electrical field of 24 THz. The phenomenon is attributed to the break of the hydrogen bonds when the frequency of the varying electrical field is close to their inherent resonant frequency. Moreover, the study demonstrates that the critical frequency varies with the confined situation. The new mechanism of regulating the phase transition of water molecules in nanochannels revealed in this study provides a perspective for further understanding of the phase transition of water molecules in nanochannels, and has great application potential in anti-icing.
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