Electrostatic correlations near charged planar surfaces

Deng, Mengmeng; Karniadakis, George Em

doi:10.1063/1.4894053

Cited by 3 publications

(4 citation statements)

References 34 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In inhomogeneous liquids, the validity limit of the self-consistent equations ( 5) and ( 6) is not so easy to assess, as they are, due to their highly non-linear character, not amenable to analytic solutions, even for simple geometries. Numerical methods have recently been developed to solve them [6,7,16,18]. In particular, in comparison with the MC simulations, [6] and [7] identified the validity regime of the equations for liquids confined to slit and cylindrical nanopores, respectively.…”

Section: Validitymentioning

confidence: 99%

“…Multiplying equation (18) with the potential ( ) v r r , 2 and integrating over the variable r 2 , one finally gets the integral relation for the 1-potential correction completing the equations (13) and ( 14)…”

Section: One-loop Expansion Of the Sc Equations And Charge Reversalmentioning

confidence: 99%

“…Numerical methods have recently been developed to solve them [6,7,16,18]. In particular, in comparison with the MC simulations, [6] and [7] identified the validity regime of the equations for liquids confined to slit and cylindrical nanopores, respectively.…”

Section: Validitymentioning

confidence: 99%

See 2 more Smart Citations

Beyond Poisson–Boltzmann: fluctuations and fluid structure in a self-consistent theory

Buyukdagli

Blossey

2016

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

Poisson-Boltzmann (PB) theory is the classic approach to soft matter electrostatics which has been applied to numerous problems of physical chemistry and biophysics. Its essential limitations are the neglect of correlation effects and of fluid structure. Recently, several theoretical insights have allowed the formulation of approaches that go beyond PB theory in a systematic way. In this topical review we provide an update on the developments achieved in self-consistent formulations of correlation-corrected Poisson-Boltzmann theory. We introduce the corresponding system of coupled nonlinear equations for both continuum electrostatics with a uniform dielectric constant and a structured solvent, a dipolar Coulomb fluid, including nonlocal effects. While the approach is only approximate and also limited to corrections in the so-called weak fluctuation regime, it allows to include physically relevant effects, as we show for a range of applications of these equations.

show abstract

Section: Validitymentioning

confidence: 99%

Section: One-loop Expansion Of the Sc Equations And Charge Reversalmentioning

confidence: 99%

See 1 more Smart Citation

Beyond Poisson–Boltzmann: fluctuations and fluid structure in a self-consistent theory

Buyukdagli

Blossey

2016

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

show abstract

“…The modified PNP model has also been implemented to study electro-convective instability, nano EOF, and electroconvective flow on a curved surface [42]. Although more complex models have been proposed to study electrostatic correlations [43], these models are usually nonlocal and involve coupled integral equations. To bridge this qualitative discrepancy, it is worthwhile to quantitatively investigate the impact of electrostatic correlations on ionic currents in conical nanopores and examine if electrostatic correlations alone can explain the ionic current rectification reversal without invoking other assumptions.…”

Section: Introductionmentioning

confidence: 99%

The effects of electrostatic correlations on the ionic current rectification in conical nanopores

Alidoosti

Zhao

2019

Electrophoresis

View full text Add to dashboard Cite

Ion‐ion electrostatic correlations are recognized to play a significant role in the presence of concentrated multivalent electrolytes. To account for their impact on ionic current rectification phenomenon in conical nanopores, we use the modified continuum Poisson‐Nernst‐Planck (PNP) equations by Bazant et al. Coupled with the Stokes equations, the effects of the EOF are also included. We thoroughly investigate the dependence of the ionic current rectification ratios as a function of the double layer thickness and the electrostatic correlation length. By considering the electrostatic correlations, the modified PNP model successfully captures the ionic current rectification reversal in nanopores filled with lanthanum chloride LaCl3. This finding qualitatively agrees with the experimental observations that cannot be explained by the standard PNP model, suggesting that ion‐ion electrostatic correlations are responsible for this reversal behavior. The modified PNP model not only can be used to explain the experiments, but also go beyond to provide a design tool for nanopore applications involving multivalent electrolytes.

show abstract

Ionic structure in liquids confined by dielectric interfaces

Jing

Jadhao

Zwanikken

et al. 2015

The Journal of Chemical Physics

View full text Add to dashboard Cite

The behavior of ions in liquids confined between macromolecules determines the outcome of many nanoscale assembly processes in synthetic and biological materials such as colloidal dispersions, emulsions, hydrogels, DNA, cell membranes, and proteins. Theoretically, the macromolecule-liquid boundary is often modeled as a dielectric interface and an important quantity of interest is the ionic structure in a liquid confined between two such interfaces. The knowledge gleaned from the study of ionic structure in such models can be useful in several industrial applications, such as in the design of double-layer supercapacitors for energy storage and in the extraction of metal ions from wastewater. In this article, we compute the ionic structure in a model system of electrolyte confined by two planar dielectric interfaces using molecular dynamics simulations and liquid state theory. We explore the effects of high electrolyte concentrations, multivalent ions, dielectric contrasts, and external electric field on the ionic distributions. We observe the presence of non-monotonic ionic density profiles leading to a layered structure in the fluid which is attributed to the competition between electrostatic and steric (entropic) interactions. We find that thermal forces that arise from symmetry breaking at the interfaces can have a profound effect on the ionic structure and can oftentimes overwhelm the influence of the dielectric discontinuity. The combined effect of ionic correlations and inhomogeneous dielectric permittivity significantly changes the character of the effective interaction between the two interfaces.

show abstract

Electrostatic correlations near charged planar surfaces

Cited by 3 publications

References 34 publications

Beyond Poisson–Boltzmann: fluctuations and fluid structure in a self-consistent theory

Beyond Poisson–Boltzmann: fluctuations and fluid structure in a self-consistent theory

The effects of electrostatic correlations on the ionic current rectification in conical nanopores

Ionic structure in liquids confined by dielectric interfaces

Contact Info

Product

Resources

About