Electrokinetics: insights from simulation on the microscopic scale

Abstract

Electrokinetic effects, i.e. the coupled hydrodynamic and electric phenomena which occur near charged interfaces, constitute a challenge to theorists due to the variety of length and time scales involved. We discuss recent advances in the modelling of these phenomena, emphasizing the interplay between the molecular specificity and the collective induced flows that emerge. We discuss the complementary simulation methodologies that have been developed either to focus on the molecular aspects of electrokinetics or on their effective properties on larger scales, as well as the proposed hybrid schemes that can incorporate both aspects. We highlight the insights that molecular studies have brought on the nature of interfacial charges and their implications for kinetic phenomena in confined fluids and also discuss advances in a number of relevant contexts.

Electro-osmotic flow in coated nanocapillaries: a theoretical investigation

“…What makes micro-sized channels attractive is the large surface to volume ratio, so that the surface has a greater impact and some new phenomena arise, opening the possibility to develop new fluidic functionalities, since decreasing the scales increases the sensitivity of analytic techniques which are used in Lab on a chip (LOC) devices [7,8].…”

Editorial – Topical Review

“…In this issue the editors of Molecular Physics are very pleased to be able to publish a Topical Review by Benjamin Rotenberg and Ignacio Pagonabarraga [14] in the area of electrokinetics, as the latest installment of the series. The term electrokinetics is generally used to refer to the electrically driven motion of charged particles.…”

Establishing conditions for simulating hydrophobic solutes in electric fields by molecular dynamics

“…Such a change of surface characteristics allows for the regulation of macroscopic properties such as adhesion or friction in micro and nano-fluidics by the electric field [2]. Microfluidic movement [3] based on electrowetting is being used in an increasing number of applications, for example, for reflective displays [4,5]. While the effect of the electric field is reasonably well understood on the macroscopic scale [1], there are only a few studies of the origin of electrowetting on the nanometric scale [6][7][8].…”