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We present a nonlocal statistical field theory of a dilute electrolyte solution with small additive of dipolar particles. We postulate that every dipolar particle is associated with an arbitrary probability distribution function (PDF) of…

Soft Condensed Matter · Physics 2019-03-26 Yu. A. Budkov

We study the variation of the dielectric response of ionic aqueous solutions as function of their ionic strength. The effect of salt on the dielectric constant appears through the coupling between ions and dipolar water molecules. On a…

Soft Condensed Matter · Physics 2013-11-19 Amir Levy , David Andelman , Henri Orland

In this paper, we formulate a field-theoretical model of dilute salt solutions of electrically neutral spherical colloid particles. Each colloid particle consists of a 'central' charge that is situated at the center and compensating…

Soft Condensed Matter · Physics 2020-01-08 Yu. A. Budkov

This work presents a rigorous statistical mechanical theory of solvation free energies, specifically useful for describing the long-range nature of ions in an electrolyte solution. The theory avoids common issues with field theories by…

Statistical Mechanics · Physics 2017-12-29 David M. Rogers

Non-local electrostatic interactions associated with the finite solvent size and ion polarizability are investigated within the mean-field linear response theory. To this end, we introduce a field theoretic model of a polar liquid composed…

Soft Condensed Matter · Physics 2015-06-15 Sahin Buyukdagli , Tapio Ala-Nissila

We develop of a field-theoretic approach for the treatment of both the non-local and the non-linear response of structured liquid dielectrics. Our systems of interest are composed of dipolar solvent molecules and simple salt cations and…

Soft Condensed Matter · Physics 2022-02-01 Ralf Blossey , Rudolf Podgornik

Treating water as a linearly responding dielectric continuum on molecular length scales allows very simple estimates of solvation structure and thermodynamics for charged and polar solutes. While this approach can successfully account for…

Statistical Mechanics · Physics 2021-07-07 Stephen J. Cox , Kranthi K. Mandadapu , Phillip L. Geissler

Conformational characteristics of polyzwitterionic molecules in aqueous solutions are investigated using the variational method. Analytical relations are derived for the radius of gyration of a single polyzwitterionic chain as a function of…

Statistical Mechanics · Physics 2015-05-13 Rajeev Kumar , Glenn H. Fredrickson

The classical problem of two uniformly charged infinite planes in electrochemical equilibrium with an infinite monovalent salt reservoir is solved exactly at the mean-field nonlinear Poisson-Boltzmann (PB) level, including an explicit…

Soft Condensed Matter · Physics 2009-11-07 M. N. Tamashiro , H. Schiessel

We study the variation of the dielectric response of a dielectric liquid (e.g. water) when a salt is added to the solution. Employing field-theoretical methods we expand the Gibbs free-energy to first order in a loop expansion and calculate…

Soft Condensed Matter · Physics 2012-07-06 Amir Levy , David Andelman , Henri Orland

Three analytic results are proposed for a linear form of the modified Poisson-Boltzmann equation in the theory of bulk electrolytes. Comparison is also made with the mean spherical approximation results. The linear theories predict a…

Statistical Mechanics · Physics 2019-06-28 C. W. Outhwaite , L. B. Bhuiyan

We present a nonlocal statistical field theory of a diluted solution of dipolar particles which are capable of forming chain-like clusters in accordance with the 'head-to-tail' mechanism. As in our previous study [Yu.A. Budkov 2018 J.…

Soft Condensed Matter · Physics 2019-03-26 Yu. A. Budkov

We have developed a molecular mean-field theory -- fourth-order Poisson-Nernst-Planck-Bikerman theory -- for modeling ionic and water flows in biological ion channels by treating ions and water molecules of any volume and shape with…

Soft Condensed Matter · Physics 2020-05-18 Jinn-Liang Liu , Bob Eisenberg

We introduce a field-theoretic electrolyte model composed of structured solvent molecules and salt ions coupled by electrostatic and hard-core interactions. Within this explicit solvent theory, we characterize the salt-driven dielectric…

Soft Condensed Matter · Physics 2022-06-09 Sahin Buyukdagli

The Debye-H\"uckel equation is a fundamental physical model in chemical thermodynamics that describes the free energy (chemical potential, activity) of an ion in electrolyte solutions at variable salt concentration, temperature, and…

Chemical Physics · Physics 2018-11-14 Chin-Lung Li , Jinn-Liang Liu

A new modified Poisson-Boltzmann equation accounting for the finite size of the ions valid for realistic salt-free concentrated suspensions has been derived, extending the formalism developed for pure salt-free suspensions [Roa et al.,…

Soft Condensed Matter · Physics 2017-09-13 Rafael Roa , Félix Carrique , Emilio Ruiz-Reina

A gradient of a single salt in a solution generates an electric field, but not a current. Recent theoretical work by one of us [Phys. Rev. Lett. 24, 248004 (2020)] showed that the Nernst-Planck equations imply that crossed gradients of two…

Soft Condensed Matter · Physics 2024-10-23 Patrick B. Warren , Richard P. Sear

Long-range ion induced water-water correlations were recently observed in femtosecond elastic second harmonic scattering experiments of electrolyte solutions. To further the qualitative understanding of these correlations, we derive an…

Statistical Mechanics · Physics 2017-09-06 David M. Wilkins , David E. Manolopoulos , Sylvie Roke , Michele Ceriotti

We develop a model of interacting zwitterionic membranes with rotating surface dipoles immersed in a monovalent salt, and implement it in a field theoretic formalism. In the mean-field regime of monovalent salt, the electrostatic forces…

Soft Condensed Matter · Physics 2021-08-17 Sahin Buyukdagli , Rudolf Podgornik

The mathematical theory of integrable Painleve/Toda type systems sheds new light on the behavior of solutions to the Poisson-Boltzmann equation for the potential due to a long rod-like macroion. We investigate here the case of symmetric…

Soft Condensed Matter · Physics 2009-11-11 G. Tellez , E. Trizac
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