Temperature dependence of electrokinetic flux in Si nanochannel

TL;DR

This study uses molecular dynamics simulations to explore how temperature influences electrokinetic flux in silicon nanochannels, revealing significant effects on water and ion flow, including the absence of flow reversal at higher temperatures.

Contribution

It provides new insights into the temperature dependence of electrokinetic transport in nanochannels using detailed MD simulations.

Findings

Water flux magnitude varies with temperature

Flow reversal does not occur at higher temperatures

Temperature affects charge distribution and water viscosity

Abstract

Significant temperature effects on the electrokinetic transport in a nanochannel with a slab geometry are demonstrated using a molecular dynamics (MD) model. A system consisting of Na+ and Cl- ions dissolved in water and confined between fixed crystalline silicon walls with negatively charged inner surfaces in an external electric field was investigated. Lennard-Jones (LJ) force fields and Coulomb electrostatic interactions with Simple Point Charge Extended (SPC/E) model were used to represent the interactions between ions, water molecules, and channel wall atoms. Dependence of the flow of water and ions on the temperature was examined. The magnitude of the water flux and even its direction are shown to be significantly affected by temperature. In particular, the previously reported flow reversal phenomenon does not occur at higher temperature. Temperature dependence of the flux was attributed to the charge redistribution and to the changes in viscosity of water.