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We briefly review recent theoretical and simulation studies of charged colloidal dispersions in alternating electric fields (AC fields). The response of single colloid to an external field can be characterized by a complex polarizability,…

Soft Condensed Matter · Physics 2014-01-09 Jiajia Zhou , Friederike Schmid

Applying electric fields is an attractive way to control and manipulate single particles or molecules, e.g., in lab-on-a-chip devices. However, the response of nanosize objects in electrolyte solution to external fields is far from trivial.…

Soft Condensed Matter · Physics 2015-11-09 Jiajia Zhou , Friederike Schmid

We study the response of single nanosized spherical colloids in electrolyte solution to an alternating electric field (AC field) by computer simulations. We use a coarse-grained mesoscopic simulation approach that accounts in full for…

Soft Condensed Matter · Physics 2015-06-04 Jiajia Zhou , Friederike Schmid

We study the electrophoretic flow of suspensions of charged colloids with a mesoscopic method that allows to model generic experimental conditions. We show that for highly charged colloids their electrophoretic mobility increases…

Soft Condensed Matter · Physics 2015-05-28 Giovanni Giupponi , Ignacio Pagonabarraga

We study the response of a spherical colloid under alternating electric fields (AC-fields) by mesoscopic simulation method, accounting in full for hydrodynamic and electrostatic interactions. We focus on a special case of uncharged…

Soft Condensed Matter · Physics 2013-04-17 Jiajia Zhou , Friederike Schmid

A mesoscopic colloid model is developed in which a spherical colloid is represented by many interacting sites on its surface. The hydrodynamic interactions with thermal fluctuations are taken accounts in full using Dissipative Particle…

Soft Condensed Matter · Physics 2014-01-16 Jiajia Zhou , Friederike Schmid

We study the mobility of a charged colloidal particle in a constant homogeneous electric field by means of computer simulations. The simulation method combines a lattice Boltzmann scheme for the fluid with standard Langevin dynamics for the…

Soft Condensed Matter · Physics 2007-06-20 Vladimir Lobaskin , Burkhard Duenweg , Christian Holm

Using computer simulations, the electrophoretic motion of a positively charged colloid (macroion) in an electrolyte solution is studied in the framework of the primitive model. Hydrodynamic interactions are fully taken into account by…

Soft Condensed Matter · Physics 2015-06-25 Apratim Chatterji , Jürgen Horbach

We have performed molecular dynamics simulations to study the effect of an external electric field on a macroion in the solution of multivalent Z:1 salt. To obtain plausible hydrodynamics of the medium, we explicitly make the simulation of…

Soft Condensed Matter · Physics 2009-11-07 Motohiko Tanaka , A. Yu. Grosberg

Molecular dynamics simulations are used to study the local dynamics of counterion-charged polymer association at charge densities above and below the counterion condensation threshold. Surprisingly, the counterions form weakly-interacting…

Soft Condensed Matter · Physics 2009-11-13 Tak Shing Lo , Boris Khusid , Joel Koplik

Understanding the response of the surface of metallic solids to external electric field sources is crucial to characterize electrode-electrolyte interfaces. Continuum electrostatics offer a simple description of the induced charge density…

Chemical Physics · Physics 2021-12-14 Giovanni Pireddu , Laura Scalfi , Benjamin Rotenberg

In this brief contribution to the Proceedings of the NATO-ASI on ``Electrostatic Effects in Soft Matter and Biophysics'', which took place in Les Houches from Oct. 1-13, 2000, we summarize in short aspects of the simulations methods to…

Soft Condensed Matter · Physics 2007-05-23 C. Holm , K. Kremer

Understanding the behavior of charged complex fluids is crucial for a plethora of important industrial, technological, and medical applications. Using coarse-grained molecular dynamics simulations, here we investigate the properties of a…

Soft Condensed Matter · Physics 2022-08-04 Debarshee Bagchi

We use a reactive Monte Carlo simulation method and primitive model of electrolyte to study acid-base equilibrium that controls charge regulation in colloidal systems. The simulations are performed in a semi-grand canonical ensemble in…

Soft Condensed Matter · Physics 2021-12-21 Amin Bakhshandeh , Derek Frydel , Yan Levin

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

We use a coarse-grained molecular dynamics model to study the electrophoretic behaviour of flexible polyelectrolyte chains. We first characterize the static properties of the model with respect to the chain length, the polyelectrolyte…

Soft Condensed Matter · Physics 2008-12-16 Kai Grass , Christian Holm

Dynamic processes in dispersions of charged spherical particles are of importance both in fundamental science, and in technical and bio-medical applications. There exists a large variety of charged-particles systems, ranging from…

Soft Condensed Matter · Physics 2013-11-25 G. Nägele , M. Heinen , A. J. Banchio , C. Contreras-Aburto

Electric field dynamics at a positive ion imbedded in an electron gas is considered using a semiclassical description. The dependence of the field autocorrelation function on charge number is studied for strong ion-electron coupling via MD…

Statistical Mechanics · Physics 2009-11-07 James Dufty , Ilya Pogorelov , Bernard Talin , Annette Calisti

Molecular dynamics (MD) simulations are used to determine the diffusion coefficients, electrophoretic mobilities and electrical conductivity of a charged colloidal suspension in the salt-free regime as a function of the colloid charge. The…

Soft Condensed Matter · Physics 2010-12-16 Sorin Bastea

We demonstrate the phenomenon of induced-charge capacitive deionization (ICCDI) that occurs around a porous and conducting particle immersed in an electrolyte, under the action of an external electric field. The external electric field…

Fluid Dynamics · Physics 2016-12-21 S. Rubin , M. E. Suss , P. M. Biesheuvel , M. Bercovici
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