Mean Field Electrostatics Beyond the Point Charge Description

Frydel, Derek

doi:10.1002/9781119165156.ch4

Cited by 27 publications

(71 citation statements)

References 97 publications

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“…The contributions of nonlinear polarization to the structure of a double-layer had been investigated in Refs. [4] and [2]. The present paper extends this study into behavior of adsorption.…”

Section: Introductionsupporting

confidence: 56%

“…The link between the near-field region and the adsorption behavior is later investigated in this work. As previous studies of modified Poisson-Boltzmann equations do not indicate significant far-field effects under condition in which the mean-field theory is acceptable, there is an indication that near a surface these effects are not negligible [2]. This raises the possibility for the adsorption to be dependent on the microscopic details of an electrolyte.…”

Section: Baxter Sticky Potentialmentioning

confidence: 80%

“…Note that the effective surface charge, in addition to adsorbed ions, includes the polarization surface density, P (0 + ). The DPB equation is obtained by substituting for ρ(x) and P (x) their respective mean-field expressions given by ρ i (x) = c i e −βqiψ(x) and [2,4]…”

Section: A the Dipolar Pb Equationmentioning

confidence: 99%

“…and we refer to this model as the Langevin PB equation (LPB) [2]. Because an incompressible solvent cannot accumulate at a surface, we expect, in contrast to the DPB model, a reduced electrostatic screening in consequence to the saturation effect of the Langevin function in Eq.…”

Section: B the Langevin Pb Equationmentioning

confidence: 99%

“…In this section we consider the polarizable Poisson-Boltzmann equation (PPB) [2,5], which represents ions as polarizable point charges, and whose mean-field density is given by…”

Section: The Polarizable Pb Equation and Ion-specific Effectsmentioning

confidence: 99%

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General theory of charge regulation within the Poisson-Boltzmann framework: Study of a sticky-charged wall model

Frydel

2019

The Journal of Chemical Physics

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This work introduces a sticky-charge wall model as a simple and intuitive representation of charge regulation. Implemented within the mean-field level of description, the model modifies the boundary conditions without affecting the underlying Poisson-Boltzmann (PB) equation of an electrolyte. Employing various modified PB equations, we are able to assess how various structural details of an electrolyte influence charge regulation.

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Section: Introductionsupporting

confidence: 56%

Section: Baxter Sticky Potentialmentioning

confidence: 80%

Section: A the Dipolar Pb Equationmentioning

confidence: 99%

Section: B the Langevin Pb Equationmentioning

confidence: 99%

“…In this section we consider the polarizable Poisson-Boltzmann equation (PPB) [2,5], which represents ions as polarizable point charges, and whose mean-field density is given by…”

Section: The Polarizable Pb Equation and Ion-specific Effectsmentioning

confidence: 99%

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General theory of charge regulation within the Poisson-Boltzmann framework: Study of a sticky-charged wall model

Frydel

2019

The Journal of Chemical Physics

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Strong coupling electrostatics for randomly charged surfaces: antifragility and effective interactions

et al. 2015

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We study the effective interaction mediated by strongly coupled Coulomb fluids between dielectric surfaces carrying quenched, random monopolar charges with equal mean and variance, both when the Coulomb fluid consists only of mobile multivalent counterions and when it consists of an asymmetric ionic mixture containing multivalent and monovalent (salt) ions in equilibrium with an aqueous bulk reservoir. We analyze the consequences that follow from the interplay between surface charge disorder, dielectric and salt image effects, and the strong electrostatic coupling that results from multivalent counterions on the distribution of these ions and the effective interaction pressure they mediate between the surfaces. In a dielectrically homogeneous system, we show that the multivalent counterions are attracted towards the surfaces with a singular, disorder-induced potential that diverges logarithmically on approach to the surfaces, creating a singular but integrable counterion density profile that exhibits an algebraic divergence at the surfaces with an exponent that depends on the surface charge (disorder) variance. This effect drives the system towards a state of lower thermal 'disorder', one that can be described by a renormalized temperature, exhibiting thus a remarkable antifragility. In the presence of an interfacial dielectric discontinuity, the singular behavior of counterion density at the surfaces is removed but multivalent counterions are still accumulated much more strongly close to randomly charged surfaces as compared with uniformly charged ones. The interaction pressure acting on the surfaces displays in general a highly non-monotonic behavior as a function of the inter-surface separation with a prominent regime of attraction at small to intermediate separations. This attraction is caused directly by the combined effects from charge disorder and strong coupling electrostatics of multivalent counterions, which dominate the surface-surface repulsion due to the (equal) mean charges on the two surfaces and the osmotic pressure of monovalent ions residing between them. These effects can be quite significant even with a small degree of surface charge disorder relative to the mean surface charge. The strong coupling, disorder-induced attraction is typically much stronger than the van der Waals interaction between the surfaces, especially within a range of several nanometers for the inter-surface separation, where such effects are predicted to be most pronounced.

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Electric-field-induced oscillations in ionic fluids: a unified formulation of modified Poisson–Nernst–Planck models and its relevance to correlation function analysis

Frusawa

2022

Soft Matter

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Mean Field Electrostatics Beyond the Point Charge Description

Cited by 27 publications

References 97 publications

General theory of charge regulation within the Poisson-Boltzmann framework: Study of a sticky-charged wall model

General theory of charge regulation within the Poisson-Boltzmann framework: Study of a sticky-charged wall model

Strong coupling electrostatics for randomly charged surfaces: antifragility and effective interactions

Electric-field-induced oscillations in ionic fluids: a unified formulation of modified Poisson–Nernst–Planck models and its relevance to correlation function analysis

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