The influences of electric field intensity and driving force on the slip behaviour of water flow in a nanochannel.

Qiwei Liu,Biao Cong,Xiaopeng Yu,Dezheng Wang,Miao Yu,Mohammad Mehdi Rashidi

doi:10.1371/journal.pone.0257589

Abstract

In the present work, non-equilibrium molecular dynamics (MD) simulations are used to investigate the flow of liquid water between two metallic solid atomistic smooth walls. The present work focuses on the combined effect of external electric field and driving force on the slip behaviour and structure of liquid water at the solid-water interface. The upper wall of the set model is positively charged, and the lower wall of the model is negatively charged. The simulation results show that as the driving force increases, the slip length also increases. At a given driving force, no matter how the electric field intensity changes, there is almost no change in the slip length, so the slip length is independent of the electric field strength. In addition, the results found that there is a linear relationship between the slip length and the normalised main peak of the static structure factor under different driving forces.

Highlights

Since the 1990s, as the scientific community has re-studied classical theories and tried to build models of different scales to understand the complex mechanisms involved in metal/fluid interaction, the nanoscale aspects of fluid mechanics have attracted increasing attention [1]
The simulation techniques used to illustrate the influences of electric field strength and driving force on slip behaviour on the micro-nano scale is mainly conducted by molecular dynamics (MD) methods [8]
Non-equilibrium MD simulation is used to study the influences of electric field strength and driving force on the sliding behaviour of liquid water on a metal surface

Summary

Introduction

Since the 1990s, as the scientific community has re-studied classical theories and tried to build models of different scales to understand the complex mechanisms involved in metal/fluid interaction, the nanoscale aspects of fluid mechanics have attracted increasing attention [1]. On the macro-scale, the slip behaviour of liquids on a metal surface is often ignored, but on the micro-nano-scale, one of the remarkable features is the presence of a large surface-volume ratio, which leads to a significant influence on the slip behaviour. It has a significant influence on applied research into desalination of seawater, The pressure-driven transport of saline (NaCl) water through the nanochannels formed by a graphene (GE) bilayer with and without a vertical electric field [2,3,4], bioengineering [5, 6], medical systems [7], etc.

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Conclusion