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Electrostatic interactions in polymeric systems are responsible for a wide range of liquid-liquid phase transitions that are of importance for biology and materials science. Such transitions are referred to as complex coacervation, and…

Soft Condensed Matter · Physics 2023-09-29 Boyuan Yu , Heyi Liang , Paul F. Nealey , Matthew Tirrell , Artem M. Rumyantsev , Juan J. de Pablo

Using the complex Langevin sampling strategy, field theoretic simulations are performed to study the equilibrium phase behavior and structure of symmetric polycation-polyanion mixtures without salt in good solvents. Static structure factors…

Soft Condensed Matter · Physics 2008-06-14 Jonghoon Lee , Yuri O. Popov , Glenn H. Fredrickson

The transport and dispersion of multiple species of charged ions are central to many biological and physical processes, including electrokinetic ion separation. However, most theoretical studies of dispersion in channels have focused on…

Soft Condensed Matter · Physics 2026-05-04 Thakurdas Mahata , Anirban Chatterjee , Ameeya Kumar Nayak

Counterion distribution around an isolated flexible polyelectrolyte in the presence of a divalent salt is evaluated using the adsorption model [M. Muthukumar, J. Chem. Phys. {\bf 120}, 9343 (2004)] that considers Bjerrum length, salt…

Soft Condensed Matter · Physics 2008-12-29 Arindam Kundagrami , M. Muthukumar

The response of a model micro-electrochemical system to a time-dependent applied voltage is analyzed. The article begins with a fresh historical review including electrochemistry, colloidal science, and microfluidics. The model problem…

Soft Condensed Matter · Physics 2009-11-10 Martin Z. Bazant , Katsuyo Thornton , Armand Ajdari

A new quantitative theory for polyelectrolytes in salt free dilute solutions is developed. Depending on the electrostatic interaction strength, polyelectrolytes in solutions can undergo strong stretching (with polyelectrolyte dimension…

Soft Condensed Matter · Physics 2009-10-31 N. V. Brilliantov , D. V. Kuznetsov , R. Klein

Effective electrostatic interactions between colloidal particles, coated with polyelectrolyte brushes and suspended in an electrolyte solvent, are described via linear response theory. The inner cores of the macroions are modeled as hard…

Soft Condensed Matter · Physics 2009-11-10 Hao Wang , Alan R. Denton

The behavior of a polyelectrolyte adsorbed on a charged surface of high-dielectric constant is studied by both Monte-Carlo simulation and analytical methods. It is found that in a low ionic strength medium, the transition is first-order…

Soft Condensed Matter · Physics 2007-05-23 Chi-Ho Cheng , Pik-Yin Lai

The structure of dilute electrolyte solutions close to a surface carrying a spatially inhomogeneous surface charge distribution is investigated by means of classical density functional theory (DFT) within the approach of fundamental measure…

Soft Condensed Matter · Physics 2020-06-23 Maximilian Mußotter , Markus Bier , S. Dietrich

Electric double-layer capacitors (EDLCs), consisting of an ionic fluid between two metallic electrodes, are electrochemical energy storage devices complementary to batteries, allowing for a faster charge/discharge. The charging dynamics in…

Soft Condensed Matter · Physics 2026-05-19 Megh Dutta , Ivan Palaia , Emmanuel Trizac , Benjamin Rotenberg

We utilize the self-consistent field theory to explore the mechanical and electrical properties of charged surfaces immersed in polyelectrolyte solutions that could be potentially useful for electrochemical applications. Our research…

Soft Condensed Matter · Physics 2023-08-25 Yu. A. Budkov , N. N. Kalikin

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

The adsorption of highly \textit{oppositely} charged flexible polyelectrolytes onto a charged spherical surface is investigated by means of Monte Carlo simulations in a fashion which resembles the layer-by-layer deposition technique…

Soft Condensed Matter · Physics 2007-05-23 Rene Messina , Christian Holm , Kurt Kremer

We analyse the dynamics of different routes to collapse of a constrained polyelectrolyte gel in contact with an ionic bath. The evolution of the gel is described by a model that incorporates non-linear elasticity, Stefan-Maxwell diffusion…

Soft Condensed Matter · Physics 2025-01-22 Giulia L. Celora , Matthew G. Hennessy , Andreas Münch , Barbara Wagner , Sarah L. Waters

In the last decade, there has been a surge of experiments showing that certain chemical reactions undergo an enormous boost when taken from bulk aqueous conditions to microdroplet environments. The microscopic basis of this phenomenon…

In this study we use non-equilibrium thermodynamics to systematically derive a phase-field model of a polyelectrolyte gel coupled to a hydrodynamic model for a salt solution surrounding the gel. The governing equations for the gel account…

Soft Condensed Matter · Physics 2022-03-02 Giulia L. Celora , Matthew G. Hennessy , Andreas Münch , Barbara Wagner , Sarah L. Waters

Electrostatic interactions fundamentally govern the structure and transport of electrolytes. In concentrated electrolytes, however, electrostatic and steric correlations, together with ion-solvent coupling, give rise to complex behavior,…

Chemical Physics · Physics 2026-02-10 Daehyeok Kim , Taejin Kwon , Jeongmin Kim

The interaction between charged objects in solution is generally expected to recapitulate two central principles of electromagnetics: (i) like-charged objects repel, and (ii) they do so regardless of the sign of their electrical charge.…

Soft Condensed Matter · Physics 2022-12-27 Sida Wang , Rowan Walker-Gibbons , Bethany Watkins , Melissa Flynn , Madhavi Krishnan

We consider a statistical mechanical model of a generic flexible polyelectrolyte, comprised of identically charged monomers with long range electrostatic interactions, and short-range interactions quantified by a disorder field along the…

Soft Condensed Matter · Physics 2025-04-24 V. Stepanyan , A. Badasyan , V. Morozov , Y. Mamasakhlisov , R. Podgornik

Similarly-charged polyelectrolytes are known to attract each other and aggregate into bundles when the charge density of the polymers exceeds a critical value that depends on the valency of the counterions. The dynamics of aggregation of…

Soft Condensed Matter · Physics 2016-09-22 Anvy Moly Tom , R. Rajesh , Satyavani Vemparala