Effects of a pulsed electric field on the ejection of an electric-neutral nanocapsule out of a water-filled CNT barrel

被引：0
作者：
Duan H. [1 ]
Liu J. [1 ]
Kang Y. [1 ]
Cai K. [2 ]
Shi J. [3 ,4 ]
Qin Q.-H. [5 ]
机构：
[1] School of Forestry, Northwest A&F University, Yangling
[2] School of Science, Harbin Institute of Technology, Shenzhen
[3] College of Water Resources and Architectural Engineering, Northwest A&F University, Yangling
[4] Department of Engineering Mechanics, Dalian University of Technology, Dalian
[5] Institute of Advanced Interdisciplinary Technology, Shenzhen MSU-BIT University, Shenzhen
来源：
Journal of Molecular Liquids | 2024年 / 407卷
基金：
中国国家自然科学基金;
关键词：
Carbon nanotube; Confined water; Electric field; Mass transfer; Molecular dynamics;
D O I：
10.1016/j.molliq.2024.125280
中图分类号：
学科分类号：
摘要：
Accurate manipulation of a nanoparticle is of great interest in various fields. This study developed a nanoejector model to preciously control the exit velocity (vout) of a nanocapsule from a water-filled nanotube barrel triggered by a pulsed electric field (EF). When switching on the EF, the water cluster below the capsule within the barrel has a sudden expansion along the tube axis, which propels the capsule out of the barrel. This study investigated the effects of the turn-on duration (s), the intensity (E) and the direction of the EF on final position and vout of the capsule by molecular dynamic simulations. We discovered that the axial intensity of a pulsed EF with s > 10 ps has minimal and maximal critical values (ECMin and ECMax, respectively) that guarantee the nanocapsule escaping from the barrel. ECMin decreases with increasing s. ECMax is independent of s > 10 ps, and the maximal value of vout (∼700 m/s) remains unchanged with E (>ECMax) and s (>10 ps). When the EF direction deviates from the nanotube axis, vout depends on the water structure under the EF. The conclusions are helpful for the design of a nano-ejector with a controllable exit velocity of a nanoparticle. © 2024 Elsevier B.V.
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