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The electrokinetic transport in a neutral system consists of an aqueous NaCl solution confined in a nanochannel with two similar parallel phosphorene walls, and is investigated for different black, blue, red, and green phosphorene…

Soft Condensed Matter · Physics 2023-12-06 S. M. Kazem Manzoorolajdad , Hossein Hamzehpour , Jalal Sarabadani

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…

Soft Condensed Matter · Physics 2010-07-01 B. Jelinek , S. D. Felicelli , P. F. Mlakar , J. F. Peters

Electrokinetic flows of an aqueous NaCl solution in nanochannels with negatively charged surfaces are studied using molecular dynamics (MD) simulations. The four transport coefficients that characterise the response to weak electric and…

Chemical Physics · Physics 2014-06-05 Hiroaki Yoshida , Hideyuki Mizuno , Tomoyuki Kinjo , Hitoshi Washizu , Jean-Louis Barrat

The electro-osmotic flow through a channel between two undulated surfaces induced by an external electric field is investigated. The gap of the channel is very small and comparable to the thickness of the electrical double layers. A lattice…

Soft Condensed Matter · Physics 2016-05-24 Hiroaki Yoshida , Tomoyuki Kinjo , Hitoshi Washizu

We review recent dissipative particle dynamics (DPD) simulations of electrolyte flow in nanochannels. A method is presented by which the slip length $delta_B$ at the channel boundaries can be tuned systematically from negative to infinity…

Fluid Dynamics · Physics 2015-06-04 Jens Smiatek , Friederike Schmid

Dielectric microstructures have been reported to have negative influences on perm-selective ion transportation because ions do not migrate in areas where the structures are located. However, the structure can promote the transportation if…

Applied Physics · Physics 2019-11-05 Keon Huh , So-Yoon Yang , Jae Suk Park , Jung A Lee , Hyomin Lee , Sung Jae Kim

The recent discovery that electrons in nano-scale conductors can act like a highly viscous liquid has triggered a surge of research activities investigating consequences of this surprising fact. Here we demonstrate that the electronic…

Mesoscale and Nanoscale Physics · Physics 2026-03-23 Vladimir U. Nazarov , Tchavdar N. Todorov , E. K. U. Gross

Theoretical modeling of electroosmosis through conducting (ideally polarizable) nanochannels is reported. Based on the theory of induced charge electrokinetics, a novel nanofluidic system which possesses both adjustable ion selective…

Fluid Dynamics · Physics 2015-07-23 Cunlu Zhao , Chun Yang

In molecular dynamics simulations, nanochannel flows are usually driven by a constant force, that aims to represent a pressure difference between inlet and outlet, and periodic boundary conditions are applied in the streamwise direction…

Fluid Dynamics · Physics 2018-01-17 Vicente Bitrián , Javier Principe

Electrostatic correlations between ions dissolved in water are known to impact their transport properties in numerous ways, from conductivity to ion selectivity. The effects of these correlations on the solvent itself remain, however, much…

Soft Condensed Matter · Physics 2024-01-31 Paul Robin

Equilibrium molecular dynamics simulations are used to investigate the effect of phase transitions on the transport properties of highly-confined water between parallel graphene sheets. An abrupt reduction by several orders of magnitude in…

Computational Physics · Physics 2019-01-23 Frederike Jaeger , Omar K. Matar , Erich A. Müller

Molecular dynamics simulation is utilized to investigate the ionic transport of NaCl in solution through a graphene nanopore under an applied electric field. Results show the formation of concentration polarization layers in the vicinity of…

Biological Physics · Physics 2013-01-10 Guohui Hu , Mao Mao , Sandip Ghosal

Possible mechanisms of overlimiting current in unsupported electrolytes, exceeding diffusion limitation, have been intensely studied for their fundamental significance and applications to desalination, separations, sensing, and energy…

Fluid Dynamics · Physics 2015-06-22 Sungmin Nam , Inhee Cho , Joonseong Heo , Geunbae Lim , Martin Z. Bazant , Gunyong Sung , Sung Jae Kim

We describe how to treat the interaction of travelling electrons with localised vibrational modes in nanojunctions. We present a multichannel scattering technique which can be applied to calculate the transport properties for realistic…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 H. Ness , A. J. Fisher

In this paper, we study the electroosmotic transport in a nanofluidic channel by using a mean-field theory accounting for non-uniform size effect and solvent polarization effect. We witness that in the presence of the given zeta potential,…

Soft Condensed Matter · Physics 2022-02-15 Jun-Sik Sin , Nam-Hyok Kim , Chol-Ho Kim , Yong-Man Jang

The classical theory of electrokinetic phenomena assumes a dilute solution of point-like ions in chemical equilibrium with a surface whose double-layer voltage is of order the thermal voltage, $k_BT/e = 25$ mV. In nonlinear…

Other Condensed Matter · Physics 2007-05-23 Martin Z. Bazant , Mustafa Sabri Kilic , Brian D. Storey , Armand Ajdari

We provide a general theoretical framework to describe the electromagnetic properties of viscous charged fluids, consisting for example of electrons in certain solids or plasmas. We confirm that finite viscosity leads to multiple modes of…

Strongly Correlated Electrons · Physics 2014-08-04 Davide Forcella , Jan Zaanen , Davide Valentinis , Dirk van der Marel

In this chapter, I will enter into the roots of entropically-driven transport with a focus on diffusio-osmotic transport in nanochannels. Diffusio-osmosis is a subtle surface transport, originating in entropic driving forces occuring within…

Soft Condensed Matter · Physics 2026-05-05 Lydéric Bocquet

Large-scale molecular dynamics simulations are used to simulate a layer of nanoparticles diffusing on the surface of a liquid. Both a low viscosity liquid, represented by Lennard-Jones monomers, and a high viscosity liquid, represented by…

Soft Condensed Matter · Physics 2013-01-10 Shengfeng Cheng , Gary S. Grest

Molecular electronics is a fascinating area of research with the ability to tune device properties by a chemical tailoring of organic molecules. However, molecular electronics devices often suffer from dispersion and lack of reproducibility…

Mesoscale and Nanoscale Physics · Physics 2013-02-11 Nicolas Clement , David Guerin , Stephane Pleutin , Sylvie Godey , Dominique Vuillaume