具有二硫化钼壁的纳米通道中电渗透流的分子动力学研究

IF 2.3 4区 工程技术 Q2 INSTRUMENTS & INSTRUMENTATION Microfluidics and Nanofluidics Pub Date : 2024-02-24 DOI:10.1007/s10404-024-02709-z
S. M. Kazem Manzoorolajdad, Hossein Hamzehpour, Jalal Sarabadani
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引用次数: 0

摘要

本文首次研究了中性系统中的电渗流(EOF),该系统由封闭在具有两个平行二硫化钼(\(text {MoS}_{text {2}}\)壁的纳米通道中的氯化钠水溶液组成,并且存在与通道壁平行的外部电场。结果表明,随着纳米通道壁上负电表面电荷密度的增加,斯特恩层的厚度也在增加。盐浓度越高,斯特恩层越薄。此外,EOF 发生在通道壁无滑动条件下。此外,随着表面电荷密度的增加,纳米通道上的平均流速开始增长(Debye-Hückel 状态)并达到最大值。然后,随着表面电荷密度的进一步增大,水流速度会减小(中间机制),当表面电荷密度值更大时,水流速度会变为零值或负值(逆流机制)。比较前一项研究中由黑色磷烯壁构成的通道与本研究中由(text {MoS}_{text {2}/})表面构成的通道的结果,可以发现对于后一种情况,反向流动发生在较低的表面电荷密度下,并且与前一种情况的表面电荷密度变化相比,峰值速度值更大。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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Molecular dynamics study of electro-osmotic flow in a nanochannel with molybdenum disulfide walls

The electro-osmotic flow (EOF) in a neutral system consisting of an aqueous NaCl solution confined in a nanochannel with two parallel Molybdenum disulfide (\(\text {MoS}_{\text {2}}\)) walls and in the presence of an external electric field parallel to the channel walls, is investigated for the first time. The results indicate that the thickness of the Stern layer grows as the negative electric surface charge density on the nanochannel walls increases. The Stern layer becomes thinner as the salt concentration is increased. Moreover, the EOF occurs under the no-slip condition on the walls. In addition, by increasing the surface charge density the average of the flow velocity across the nanochannel initially grows (Debye–Hückel regime) and reaches its maximum value. Then, by further increasing the surface charge density the water flow rate decreases (intermediate regime), and gets the zero value and becomes negative (reverse flow regime) at even larger values of the surface charge densities. Comparing the results of the previous work wherein the channels are composed of the black phosphorene walls with those of the present study for a channel composed of \(\text {MoS}_{\text {2}}\) surfaces, show that for the latter case the reverse flow occurs at a lower surface charge density and with a greater value of the peak velocity with respect to the change in the surface charge density for the former case.

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来源期刊
Microfluidics and Nanofluidics
Microfluidics and Nanofluidics 工程技术-纳米科技
CiteScore
4.80
自引率
3.60%
发文量
97
审稿时长
2 months
期刊介绍: Microfluidics and Nanofluidics is an international peer-reviewed journal that aims to publish papers in all aspects of microfluidics, nanofluidics and lab-on-a-chip science and technology. The objectives of the journal are to (1) provide an overview of the current state of the research and development in microfluidics, nanofluidics and lab-on-a-chip devices, (2) improve the fundamental understanding of microfluidic and nanofluidic phenomena, and (3) discuss applications of microfluidics, nanofluidics and lab-on-a-chip devices. Topics covered in this journal include: 1.000 Fundamental principles of micro- and nanoscale phenomena like, flow, mass transport and reactions 3.000 Theoretical models and numerical simulation with experimental and/or analytical proof 4.000 Novel measurement & characterization technologies 5.000 Devices (actuators and sensors) 6.000 New unit-operations for dedicated microfluidic platforms 7.000 Lab-on-a-Chip applications 8.000 Microfabrication technologies and materials Please note, Microfluidics and Nanofluidics does not publish manuscripts studying pure microscale heat transfer since there are many journals that cover this field of research (Journal of Heat Transfer, Journal of Heat and Mass Transfer, Journal of Heat and Fluid Flow, etc.).
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