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We investigate end-effects in the ion distribution around strongly charged, flexible polyelectrolytes with a quenched charge distribution by molecular dynamics simulations of dilute polyelectrolyte solutions. We take the counterions…

Soft Condensed Matter · Physics 2015-06-24 Hans Jörg Limbach , Christian Holm

We study the structure of complexes formed between ionic surfactants (SF) and a single oppositely charged polyelectrolyte (PE) chain. For our computer simulation we use the ``primitive'' electrolyte model: while the polyelectrolyte is…

Soft Condensed Matter · Physics 2015-06-24 C. von Ferber , H. Lowen

In this paper, we study the electrostatics of pH-responsive polyelectrolyte-grafted spherical particles by using a strong stretching theory that takes into account the excluded volume interaction and the density of chargeable sites on the…

Soft Condensed Matter · Physics 2022-08-31 Jun-Sik Sin , Il-Chon Choe , Chol-Song Im

We present two successive mean-field approximations for describing the mechanical properties and the swelling equilibrium of polyelectrolyte gels in contact with a salt solution. The first mean-field approximation reduces the many-chain…

Soft Condensed Matter · Physics 2019-11-22 Jonas Landsgesell , Christian Holm

We study the response of a model micro-electrochemical cell to a large ac voltage of frequency comparable to the inverse cell relaxation time. To bring out the basic physics, we consider the simplest possible model of a symmetric binary…

Fluid Dynamics · Physics 2013-12-12 Laurits H. Olesen , Martin Z. Bazant , Henrik Bruus

Polymeric materials that couple deformation and electrostatics have the potential for use in soft sensors and actuators with potential applications ranging from robotic, biomedical, energy, aerospace and automotive technologies. In contrast…

Soft Condensed Matter · Physics 2020-06-02 Matthew Grasinger , Kaushik Dayal

Using a continuum description, we account for fluctuations in the ionic solvent surrounding a Gaussian, charged chain and derive an effective short-ranged potential between the charges on the chain. This potential is repulsive at short…

Soft Condensed Matter · Physics 2009-11-10 Shirish M. Chitanvis

In the present work, we study an electrolyte solution confined between planar surfaces with nonopatterned charged domains, which has been connected to a bulk ionic reservoir. The system is investigated through an improved Monte Carlo (MC)…

Soft Condensed Matter · Physics 2020-09-29 Amin Bakhshandeh , Maximiliano Segala , Thiago Colla

The electric field dielectric polarization-based separations mechanism represents a novel method for separating solutions at small length scales. An electric field gradient with a maximum strength of $\mathrm{0.4~MV/m}$ applied across a…

Chemical Physics · Physics 2023-11-29 Gaurav Anand , Samira Safaripour , Craig Snoeyink

Nonlinear elastic responses of short and stiff polyelectrolytes are investigated by dynamic simulations on a single molecule level. When a polyelectrolyte condensate undergoes a mechanical unfolding, two types of force-extension curves,…

Soft Condensed Matter · Physics 2009-11-10 Hirofumi Wada , Yoshihiro Murayama , Masaki Sano

This paper investigates the problem of electrophoretic motion of a polyelectrolyte capsule with a porous arbitrary charged conducting shell in an electrolyte under the action of an external electric field. The corresponding boundary value…

Fluid Dynamics · Physics 2021-08-11 Anatoly N. Filippov , Daria Yu. Khanukaeva , Petr A. Aleksandrov

In this work, a comprehensive study about the influence on shear viscosity of polyelectrolyte concentration, persistence length, salt concentration and solvent quality is reported, using numerical simulations of confined solutions under…

Soft Condensed Matter · Physics 2022-11-22 Estela Mayoral , Juan de Dios Hernández Velázquez , Armando Gama Goicochea

When an electric field is applied to an electrolyte-saturated polymer gel embedded with charged colloidal particles, the force that must be exerted by the hydrogel on each particle reflects a delicate balance of electrical, hydrodynamic and…

Soft Condensed Matter · Physics 2009-11-13 Reghan J. Hill , Martin Ostoja-Starzewski

We investigate the possibility that electrically neutral porous spheres electrophorese in electrolyte solutions with asymmetric affinity of ions to spheres on the basis of electrohydrodynamics and the Poisson-Boltzmann and…

Soft Condensed Matter · Physics 2015-06-23 Yuki Uematsu

The behavior of saturated aqueous sodium chloride solutions under a constant external electric field (E) was studied by molecular dynamics (MD) simulation. Our dynamic MD simulations have indicated that the irreversible nucleation process…

Soft Condensed Matter · Physics 2016-01-20 Gan Ren , Yanting Wang

In this paper, we study electrostatic properties between two similar or oppositely charged surfaces immersed in an electrolyte solution by using mean-field approach accounting for solvent polarization and non-uniform size effect. Applying a…

Soft Condensed Matter · Physics 2022-02-11 Jun-Sik Sin

We calculate the thermophoretic drift of a charged single colloidal particle with hydrodynamically slipping surface immersed in an electrolyte solution in response to a small temperature gradient. Here, we rely on a linearized hydrodynamic…

Soft Condensed Matter · Physics 2023-04-26 Daniel B. Mayer , Dieter Braun , Thomas Franosch

We present a theoretical description of the effect of polyvalent ions on the interaction between titratable macro-ions. The model system consists of two point-like macro-ions with dissociable sites, immersed in an asymmetric ionic mixture…

Biological Physics · Physics 2016-06-22 Natasa Adzic , Rudolf Podgornik

We propose a new method for electrophoretic separation of DNA in which adsorbed polymers are driven over a disordered two-dimensional substrate which contains attractive sites for the polymers. Using simulations of a model for long polymer…

Soft Condensed Matter · Physics 2008-03-31 C. J. Olson Reichhardt , C. Reichhardt

Nucleic acids are negatively charged macromolecules and their structure properties are strongly coupled to metal ions in solutions. In this paper, the salt effects on the flexibility of single stranded (ss) nucleic acid chain ranging from…

Biological Physics · Physics 2015-03-13 Feng-Hua Wang , Yuan-Yan Wu , Zhi-Jie Tan