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We present a numerical study of polyelectrolytes electrophoresing in free solution while squeezed by an axisymmetric confinement force transverse to their net displacement. Hybrid multi-particle collision dynamics and molecular dynamics…

Soft Condensed Matter · Physics 2016-06-22 Tyler N. Shendruk , Martin Bertrand , Gary W. Slater

We study the effect of electrostatic interactions on the distribution function of the end-to-end distance of a single polyelectrolyte chain in the rodlike limit. The extent to which the radial distribution function of a polyelectrolyte is…

Soft Condensed Matter · Physics 2009-11-10 Roya Zandi , Joseph Rudnick , Ramin Golestanian

Mean-field theory and scaling arguments are presented to model polyelectrolyte adsorption from semi-dilute solutions onto charged surfaces. Using numerical solutions of the mean-field equations, we show that adsorption exists only for…

Soft Condensed Matter · Physics 2009-11-10 A. Shafir , D. Andelman , R. R. Netz

The charge inversion phenomenon is studied by molecular dynamics simulations, focusing on size and valence asymmetric salts, and a threshold of surface charge density for charge inversion. The charge inversion criteria by the…

Soft Condensed Matter · Physics 2009-11-10 Motohiko Tanaka

Within the Poisson-Boltzmann (PB) approach electrolytes in contact with planar, spherical, and cylindrical electrodes are analyzed systematically. The dependences of their capacitance $C$ on the surface charge density $\sigma$ and the ionic…

Soft Condensed Matter · Physics 2017-04-24 Andreas Reindl , Markus Bier , S. Dietrich

Polyelectrolytes under confinement are crucial for energy storage and for understanding biomolecular functions. Using molecular dynamics simulations, we analyze a polyelectrolyte solution confined between two oppositely charged planar…

Statistical Mechanics · Physics 2019-06-05 Debarshee Bagchi , Trung Dac Nguyen , Monica Olvera de la Cruz

We explore the mechanical response of a single polyelectrolyte chain under tension in good and poor solvents using a combination of simulation and theory. In poor solvents, where the equilibrium state of the chain is a collapsed globule, we…

Soft Condensed Matter · Physics 2009-05-29 Ajay S. Panwar , Mark A. Kelly , Buddhapriya Chakrabarti , M. Muthukumar

The electrostatic interaction between metal spheres is an influential component in the assembly of many nanoscale materials in chemistry. Here we derive a method to calculate the energy and polarizations of metal spheres in arbitrary…

Mesoscale and Nanoscale Physics · Physics 2010-10-15 Alexander Moore

In this paper, we present a self-consistent field theory of macroscopic forces in spatially inhomogeneous flexible chain polyelectrolyte solutions. We derive an analytical expression for a stress tensor which consists of three terms:…

Soft Condensed Matter · Physics 2023-03-01 Yury Budkov , Nikolai Kalikin

We study the electrophoretic mobility of spherical charged colloids in a low-salt suspension as a function of the colloidal concentration. Using an effective particle charge and a reduced screening parameter, we map the data for systems…

Soft Condensed Matter · Physics 2007-05-23 Vladimir Lobaskin , Burkhard Duenweg , Martin Medebach , Thomas Palberg , Christian Holm

According to classical electrolyte theories interactions in dilute (low ion density) electrolytes decay exponentially with distance, with the Debye screening length the characteristic length-scale. This decay length decreases monotonically…

Soft Condensed Matter · Physics 2016-07-15 Alexander M. Smith , Alpha A. Lee , Susan Perkin

We analyze static properties of a strongly confined semiflexible polymer, i.e. either trapped in a closed space or compressed by external forces, in an athermal solvent. Like a flexible polymer case, we can resort to an analogy with the…

Soft Condensed Matter · Physics 2009-11-13 Takahiro Sakaue

For single-file translocations of a charged macromolecule through a narrow pore, the crucial step of arrival of an end at the pore suffers from free energy barriers, arising from changes in intrachain electrostatic interaction, distribution…

Soft Condensed Matter · Physics 2015-05-14 Rajeev Kumar , M. Muthukumar

Using molecular dynamics simulations, it is demonstrated that monovalent counterions can induce aggregation of similarly charged rod-like polyelectrolyte chains. The critical value of the linear charge density for aggregation is shown to be…

Soft Condensed Matter · Physics 2014-05-06 Anoop Varghese , R. Rajesh , Satyavani Vemparala

The accurate characterization of electrical double layer properties of nanoparticles is of fundamental importance for optimizing their physicochemical properties for specific biotechnological and biomedical applications. In this article, we…

Chemical Physics · Physics 2017-04-05 Christian Hunley , Marcelo Marucho

We study theoretically using scaling arguments the behavior of polyelectrolyte gels in poor solvents. Following the classical picture of Katchalsky, our approach is based on single chain elasticity but it accounts for the recently proposed…

Soft Condensed Matter · Physics 2007-05-23 T. A. Vilgis , A. Johner , J. -F. Joanny

We study the ionic equilibria and interactions of neutral semi-permeable spherical shells immersed in electrolyte solutions, including polyions. Although the shells are uncharged, only one type of ions of the electrolyte can permeate them,…

Soft Condensed Matter · Physics 2012-07-24 Vladimir Lobaskin , Artem N. Bogdanov , Olga I. Vinogradova

This article reviews the static and dynamic properties of spontaneous superstructures formed by electrons. Representations of such electronic crystals are charge density waves and spin density waves in inorganic as well as organic low…

Strongly Correlated Electrons · Physics 2013-07-04 Pierre Monceau

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

Self-consistent theory for concentrated electrolytes is developed. Oscillatory decay of the charge-charge correlation function with the decay length that shows perfect agreement with the experimentally discovered and so far unexplained…

Soft Condensed Matter · Physics 2021-08-11 A. Ciach , O. Patsahan