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Electrolyte theories enable to describe the structural and dynamical properties of simple electrolytes in solution, such as sodium chloride in water. Using these theories for aqueous solutions of charged nanoparticles is a straightforward…

Soft Condensed Matter · Physics 2020-02-03 Vincent Dahirel , Olivier Bernard , Marie Jardat

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

Classical theory of the electric double layer is based on the fundamental assumption of a dilute solution of point ions. There are a number of situations such as high applied voltages, high concentration of electrolytes, systems with…

Fluid Dynamics · Physics 2015-06-11 Brian D. Storey , Martin Z. Bazant

Electrolyte solutions play an important role in energy storage devices, whose performance highly relies on the electrokinetic processes at sub-micron scales.\ Although fluctuations and stochastic features become more critical at small…

Soft Condensed Matter · Physics 2022-06-08 Mingge Deng , Faisal Tushar , Luis Bravo , Anindya Ghoshal , George Karniadakis , Zhen Li

The association of ions in electrolyte solutions at very low concentration and low temperature is studied using computer simulations and quasi-chemical ion-pairing theory. The specific case of the restricted primitive model (charged hard…

Soft Condensed Matter · Physics 2011-09-23 Chantal Valeriani , Philip J. Camp , Jos W. Zwanikken , René van Roij , Marjolein Dijkstra

The acoustic excitations of the expanded metal solutions Li-NH$_3$ have been measured by inelastic X-ray scattering as a function of the electron density by changing the Li concentration. The dielectric functions of these model metals with…

Condensed Matter · Physics 2007-05-23 P. Giura , R. Angelini , C. A. Burns , G. Monaco , F. Sette

The electric conductivity of ionic solutions is well understood at low ionic concentrations of up to a few millimolar but becomes difficult to unravel at higher concentrations that are still common in nature and technological applications.…

Soft Condensed Matter · Physics 2023-01-03 Yael Avni , David Andelman , Henri Orland

Theoretical calculations of the conductivity of sodium nitrate in water are presented and compared with experimental measurements. The method of direct correlation force in the framework of the interionic theory is used for the calculation…

Soft Condensed Matter · Physics 2013-12-17 H. Krienke

The osmotic coefficient of solutions of rod-like polyelectrolytes is considered by comparing current theoretical treatments and simulations to recent experimental data. The discussion is restricted to the case of monovalent counterions and…

Soft Condensed Matter · Physics 2009-11-07 M. Deserno , C. Holm , J. Blaul , M. Ballauff , M. Rehahn

We present a continuum theory of electrolytes composed of a waterlike solvent and univalent ions. First, we start with a density functional $\cal F$ for the coarse-grained solvent, cation, and anion densities, including the Debye-H\"uckel…

Soft Condensed Matter · Physics 2020-08-20 Ryuichi Okamoto , Kenichiro Koga , Akira Onuki

We characterize the role of electrostatic fluctuations on the charge selectivity of cylindrical nanopores confining electrolyte mixtures. To this end, we develop an extended one-loop theory that can account for correlation effects induced…

Soft Condensed Matter · Physics 2014-03-05 Sahin Buyukdagli , T. Ala-Nissila

The dynamics of (few) electrons dissolved in an ionic fluid--as when a small amount of metal is added to a solution while upholding its electronic insulation--manifests interesting properties that can be ascribed to nontrivial topological…

Chemical Physics · Physics 2023-09-08 Paolo Pegolo , Stefano Baroni , Federico Grasselli

Recent studies of the hydration of micro- and nanoscale solutes have demonstrated a strong {\it coupling} between hydrophobic, dispersion and electrostatic contributions, a fact not accounted for in current implicit solvent models. We…

Chemical Physics · Physics 2009-11-11 J. Dzubiella , J. M. J. Swanson , J. A. McCammon

Monoclonal antibodies are among the most promising therapeutic agents in modern medicine, yet their formulation into high-concentration solutions for subcutaneous self-administration poses a major challenge. A key obstacle is the marked…

Soft Condensed Matter · Physics 2025-01-14 Fabrizio Camerin , Marco Polimeni , Anna Stradner , Emanuela Zaccarelli , Peter Schurtenberger

A variational theory is developed to study electrolyte solutions, composed of interacting point-like ions in a solvent, in the presence of dielectric discontinuities and charges at the boundaries. Three important and non-linear…

Soft Condensed Matter · Physics 2013-05-29 Sahin Buyukdagli , Manoel Manghi , John Palmeri

Modelling electrolytes accurately on both a nanoscale and cell level can contribute to improving battery chemistries.[Armand and Tarascon, Nature, 2008, 451, 652-657] We previously presented a thermodynamic continuum model for…

Chemical Physics · Physics 2024-08-09 Constantin Schwetlick , Max Schammer , Arnulf Latz , Birger Horstmann

The study of the electrical double layer lies at the heart of colloidal and interfacial science. The standard mean-field Poisson-Boltzmann (PB) theory is incapable of modeling many phenomena originated from ion correlation. An important…

Soft Condensed Matter · Physics 2022-09-26 Nikhil R. Agrawal , Rui Wang

A recent mode coupling theory of higher-order correlation functions is tested on a simple hard-sphere fluid system at intermediate densities. Multi-point and multi-time correlation functions of the densities of conserved variables are…

Statistical Mechanics · Physics 2009-11-07 Ramses van Zon , Jeremy Schofield

We introduce a new form of density functional theory for the {\em ab initio} description of electronic systems in contact with a molecular liquid environment. This theory rigorously joins an electron density-functional for the electrons of…

Soft Condensed Matter · Physics 2009-11-11 Sahak Petrosyan , Jean-Francois Briere , David Roundy , T. A. Arias

We develop a theory of magnetoresistance of two-dimensional electron systems in a smooth disorder potential in the hydrodynamic regime. Our theory applies to two-dimensional semiconductor structures with strongly correlated carriers when…

Mesoscale and Nanoscale Physics · Physics 2017-03-22 Alex Levchenko , Hong-Yi Xie , A. V. Andreev