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The combinatorial explosion of empirical parameters in tens of thousands presents a tremendous challenge for extended Debye-H\"uckel models to calculate activity coefficients of aqueous mixtures of most important salts in chemistry. The…

Soft Condensed Matter · Physics 2018-03-14 Jinn-Liang Liu , Bob Eisenberg

We derive a Debye-H\"uckel-like model of the electric ion-ion interaction for non-constant dielectric susceptibility, which does not depend on any kind of charging process due to its foundation in the general framework of non-equilibrium…

Chemical Physics · Physics 2025-02-24 Wolfgang Dreyer , Rüdiger Müller

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 propose a generalized Debye-Huckel model from Poisson-Fermi theory to predict the mean activity coefficient of electrolytes in water-methanol mixtures with arbitrary percentage of methanol from 0 to 100%. The model applies to any number…

Statistical Mechanics · Physics 2022-09-07 Chin-Lung Li , Shu-Yi Chou , Jinn-Liang Liu

We develop a modified Poisson-Nernst-Planck model which includes both the long-range Coulomb and short-range hard-sphere correlations in its free energy functional such that the model can accurately describe the ion transport in complex…

Computational Physics · Physics 2021-05-21 Manman Ma , Zhenli Xu , Liwei Zhang

Based on a Debye-Hueckel approach to the one-component plasma we propose a new free energy for incorporating ionic correlations into Poisson-Boltzmann like theories. Its derivation employs the exclusion of the charged background in the…

Soft Condensed Matter · Physics 2009-10-31 Marcia C. Barbosa , Markus Deserno , Christian Holm

The Debye-H\"uckel approximation to the free-energy of a simple fluid is written as a functional of the pair correlation function. This functional can be seen as the Debye-H\"uckel equivalent to the functional derived in the hyper-netted…

Plasma Physics · Physics 2016-12-28 R. Piron , T. Blenski

The free energy of a weakly curved, isolated macroion embedded in a symmetric 1:1 electrolyte solution is calculated on the basis of linear Debye-H\"uckel theory, thereby accounting for non-electrostatic Yukawa pair interactions between the…

Soft Condensed Matter · Physics 2018-09-05 Bjorn K. Berntson , Rachel Downing , Guilherme Volpe Bossa , Sylvio May

We study the counterion distribution around a spherical macroion and its osmotic pressure in the framework of the recently developed Debye-H"uckel-Hole-Cavity (DHHC) theory. This is a local density functional approach which incorporates…

Soft Condensed Matter · Physics 2009-11-10 Marcia C. Barbosa , Markus Deserno , Christian Holm , Rene Messina

We present a generalization of the Debye-H\"uckel free-energy-density functional of simple fluids to the case of two-component systems with arbitrary interaction potentials. It allows one to obtain the two-component Debye-H\"uckel integral…

Plasma Physics · Physics 2018-10-24 T. Blenski , R. Piron

The paper presents a mean field theory of electrolyte solutions, extending the classical Debye-H\"{u}ckel-Onsager theory to provide a detailed description of the electrical conductivity in strong electrolyte solutions. The theory…

Soft Condensed Matter · Physics 2024-09-27 N. N. Kalikin , Yu. A. Budkov

We propose a field-theoretical approach based on the thermodynamic perturbation theory and within it derive a grand thermodynamic potential of the inhomogeneous ionic fluid as a functional of electrostatic potential for an arbitrary…

Soft Condensed Matter · Physics 2022-05-25 Yu. A. Budkov , A. L. Kolesnikov

Electrostatic correlations and variable permittivity of electrolytes are essential for exploring many chemical and physical properties of interfaces in aqueous solutions. We propose a continuum electrostatic model for the treatment of these…

Soft Condensed Matter · Physics 2015-06-23 Manman Ma , Zhenli Xu

The Debye-H\"uckel theory describes rigorously the thermal equilibrium of classical Coulomb fluids in the high-temperature $\beta\to 0$ regime ($\beta$ denotes the inverse temperature). It is generally believed that the Debye-H\"uckel…

Statistical Mechanics · Physics 2009-11-13 L. Samaj

We discuss the validity of generalized Debye-H\"uckel (GDH) equation proposed by Fisher {\itshape et al.} from the functional integral point of view. The GDH theory considers fluctuations around prescribed densities of positive and negative…

Soft Condensed Matter · Physics 2009-10-31 H. Frusawa , R. Hayakawa

The Debye-H\" uckel formula for ionic activity coefficients is extended for concentrated solutions by solving a simple model of many-body Coulomb correlations and adding the Born solvation energy. Given the bulk permittivity, our formula is…

Chemical Physics · Physics 2017-09-12 Sven Schlumpberger , Martin Z. Bazant

Debye-Huckel (DH) theory is extended to treat two-component size- and charge-asymmetric primitive models, focussing primarily on the 1:1 additive hard-sphere electrolyte with, say, negative ion diameters, a--, larger than the positive ion…

Statistical Mechanics · Physics 2009-11-07 Daniel M. Zuckerman , Michael E. Fisher , Stefan Bekiranov

We present a nonlocal electrostatic formulation of nonuniform ions and water molecules with interstitial voids that uses a Fermi-like distribution to account for steric and correlation effects in electrolyte solutions. The formulation is…

Soft Condensed Matter · Physics 2017-03-27 Jinn-Liang Liu , Dexuan Xie , Bob Eisenberg

Near-critical thermodynamics in the hard-sphere (1,1) electrolyte is well described, at a classical level, by Debye-Hueckel (DH) theory with (+,-) ion pairing and dipolar-pair-ionic-fluid coupling. But DH-based theories do not address…

Condensed Matter · Physics 2009-10-28 Benjamin P. Lee , Michael E. Fisher

The Poisson Boltzmann equation is known for its success in describing the Debye layer that arises from the charge separation phenomenon at the silica/water interface. However, by treating only the mobile ionic charges in the liquid, the…

Soft Condensed Matter · Physics 2019-07-30 Maijia Liao , Li Wan , Shixin Xu , Chun Liu , Ping Sheng
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