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Reliable first-principles calculations of electrochemical processes require accurate prediction of the interfacial capacitance, a challenge for current computationally-efficient continuum solvation methodologies. We develop a model for the…

Chemical Physics · Physics 2018-04-12 Ravishankar Sundararaman , Kendra Letchworth-Weaver , Kathleen Schwarz

Tasker type III polar terminations of ionic crystals carry a net surface charge as well as a dipole moment and are fundamentally unstable. In contact with electrolytes, such polar surfaces can be stabilized by adsorption of counter ions…

Chemical Physics · Physics 2019-03-22 Thomas Sayer , Michiel Sprik , Chao Zhang

We investigate the behavior of single polyelectrolytes in multivalent salt solutions under the action of electric fields through computer simulations. The chain is unfolded in a strong electric field and aligned parallel to the field…

Soft Condensed Matter · Physics 2008-10-21 Pai-Yi Hsiao , Kun-Mao Wu

We derived here in a systematic way, and for a large class of scaling regimes, asymptotic models for the propagation of internal waves at the interface between two layers of immiscible fluids of different densities, under the rigid lid…

Analysis of PDEs · Mathematics 2007-12-27 Jerry L. Bona , David Lannes , Jean-Claude Saut

We assess the dielectrically consistent reference interaction site model (DRISM) as an implicit electrolyte framework for modeling the electrochemical double layer, and compare it with the Poisson-Boltzmann model and explicit molecular…

Chemical Physics · Physics 2026-04-01 Alessandro Mangiameli , Christopher J. Stein

In this chapter polyelectrolyte intelligent gels are examined along three broad lines. The effects of different physical, chemical and biological stimuli on gels response are analysed and mechanisms of response are outlined. The broad range…

Soft Condensed Matter · Physics 2012-10-15 Piero Chiarelli , Danilo De Rossi

1. Introduction 2. Charged chains at infinite dilution - asymptotic properties 2.1 Definition of the model and Flory-like calculation 2.2 Variational approaches 2.3 Renormalization group calculations 2.4 Screening of electrostatic…

Condensed Matter · Physics 2007-05-23 Jean-Louis Barrat , Jean-Francois Joanny

We analyze the connection between electric dipole moment of the electron and the soft leptogenesis in supersymmetric $B-L$ extension of the standard model. In this model, the $B-L$ symmetry is radiatively broken at TeV scale. Therefore, it…

High Energy Physics - Phenomenology · Physics 2010-04-15 Yuji Kajiyama , Shaaban Khalil , Martti Raidal

We study the behavior of single linear polyelectrolytes condensed by trivalent salt under the action of electric fields through computer simulations. The chain is unfolded when the strength of the electric field is stronger than a critical…

Soft Condensed Matter · Physics 2011-08-26 Yu-Fu Wei , Pai-Yi Hsiao

Stability of electro-hydrodynamic processes between ion-exchange membranes is investigated. Solutions of the equilibrium problem are commonly described in the one-dimensional (1D) steady-state approximation. In the present work, a novel…

Fluid Dynamics · Physics 2015-03-13 E. Demekhin , S. Polyanskikh , Yury Shtemler

Linear sweep and cyclic voltammetry techniques are important tools for electrochemists and have a variety of applications in engineering. Voltammetry has classically been treated with the Randles-Sevcik equation, which assumes an…

Chemical Physics · Physics 2017-03-15 David Yan , Martin Z. Bazant , P. M. Biesheuvel , Mary C. Pugh , Francis P. Dawson

The solvation environments of Li$^+$ in conventional non-aqueous battery electrolytes, such as LiPF$_6$ in mixtures of ethylene carbaronate (EC) and ethyl methyl carbonate (EMC), are often used to rationalize the transport properties of…

Statistical Mechanics · Physics 2026-05-20 Zachary A. H. Goodwin , Daniel M. Markiewitz , Qisheng Wu , Yue Qi , Martin Z. Bazant

In this thesis we study the lateral electrostatic interaction between a pair of non-identical, moderately charged colloidal particles trapped at an electrolyte interface in the limit of short inter-particle separations. Using a simplified…

Soft Condensed Matter · Physics 2017-10-17 Timo Schmetzer

Surfaces of metal oxides at working conditions are usually electrified due to the acid-base chemistry. The charged interface compensated with counterions forms the so-called electric double layer. The coupling of surface chemistry and…

Soft Condensed Matter · Physics 2019-07-02 Chao Zhang , Jürg Hutter , Michiel Sprik

The ongoing scientific interest in the properties and structure of electric double layers (EDLs) stems from their pivotal role in (super)capacitive energy storage, energy harvesting, and water treatment technologies. Classical density…

Soft Condensed Matter · Physics 2016-04-28 Andreas Härtel , Sela Samin , Rene van Roij

For many biotechnological applications it would be useful to better understand the effects produced by electric fields on lipid membranes. This review discusses several aspects of the electrostatic properties of a planar lipid membrane with…

Soft Condensed Matter · Physics 2014-11-25 Falko Ziebert , David Lacoste

We characterized the structural and dynamical properties of the quasi-liquid layer (QLL) at the surface of ice by molecular dynamics simulations with a thermodynamically consistent water model. Our simulations show that for three low-index…

Soft Condensed Matter · Physics 2018-12-03 Tanja Kling , Felix Kling , Davide Donadio

The description of a conducting medium in thermal equilibrium, such as an electrolyte solution or a plasma, involves nonlinear electrostatics, a subject rarely discussed in the standard electricity and magnetism textbooks. We consider in…

Chemical Physics · Physics 2018-08-01 C. G. Gray , P. J. Stiles

The nanoscopic mass and charge distribution within the double layer at electrified interfaces plays a key role in electrochemical phenomena of huge technological relevance for energy production and conversion. However, in spite of its…

Chemical Physics · Physics 2019-05-29 Remi Khatib , Ashwinee Kumar , Stefano Sanvito , Marialore Sulpizi , Clotilde S. Cucinotta

We investigate the complexation of a highly charged sphere with a long flexible polyelectrolyte, \textit{both negatively charged} in salt free environment. Electroneutrality is insured by the presence of divalent counterions. Using…

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