Multi-parameter analysis of water flows in nanochannels

Abstract

Water flow simulations play a key role in determining how fluid properties are affected due to geometrical and flow conditions, establishing a theoretical basis so as to guide technological applications of nanofluidics for desalination and water purification. In this work, we investigate liquid water properties when downsizing a Poiseuille-flow system at the nanoscale with Molecular Dynamics simulations. Water is modelled through the well-known SPC and SPC/E models. To establish the theoretical background, we present number density profiles to reveal fluid ordering close to the walls, calculate velocity and temperature profiles for various channel widths and magnitudes of the external driving force and comment on slip length issues. As a multi-parameter study, we aim to contribute on theoretical analysis oriented on water applications design. © 2018 Desalination Publications. All rights reserved.