Effect of orientational ordering of water dipoles on stratification of counterions of different size in multicomponent electrolyte solution near charged surface - a mean field approach

Sin, Jun-Sik; Kim, Kwang-Il; Pak, Hak-Chol; Sin, Chung‐Sik

doi:10.1016/j.electacta.2016.04.022

Cited by 11 publications

(10 citation statements)

References 44 publications

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“…As a consequence, we get the Lagrangian of the electrolyte using the method of undetermined multipliers as in [42],…”

Section: Theorymentioning

confidence: 99%

“…When Considering the boundary conditions, we get the below equations by using the same method as in [42] n…”

Section: Theorymentioning

confidence: 99%

“…Very recently, we updated the approach of [38] with a different entropy representation [42]. Providing simple equations compared to that of the previous approach [38], the approach naturally predict the phenomena such as counterion stratification [42] and asymmetric solvent depletion [43] near a charged surface in a multicomponent electrolyte solution. Although solvent polarization and non-uniform size effect were considered for the case of a charged hard surface, the issue remains unsolved for a charged soft surface.…”

Section: Introductionmentioning

confidence: 99%

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Effect of solvent polarization on electric double layer of a charged soft surface in an electrolyte solution

Sin,

Kim,

Sin

2022

Preprint

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We study the electric double layer near a charged soft surface by using a mean-field approach including non-uniform size effect and solvent polarization. Based on a free energy model, electrostatic potential and number densities of water and ions are obtained numerically by solving coupled differential equations including the Poisson's equation. We find that the solvent polarization significantly affects electrostatic potential, ion number densities and permittivity in an electrolyte solution near a charged soft surface. We prove that the consideration of the solvent polarization increases the magnitude of Donnan potential. We also demonstrate that within the fixed charge layer the number densities of counterions and coions are slightly smaller than when the solvent polarization is not considered. An increase in the ionic size enhances the influence of solvent polarization on the electrostatic properties within the fixed charged layer of charged soft surface. In the region of high surface-charge-density, the permittivity and the number density of water dipoles considerably decrease due to water polarization.

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“…As a consequence, we get the Lagrangian of the electrolyte using the method of undetermined multipliers as in [42],…”

Section: Theorymentioning

confidence: 99%

“…When Considering the boundary conditions, we get the below equations by using the same method as in [42] n…”

Section: Theorymentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Effect of solvent polarization on electric double layer of a charged soft surface in an electrolyte solution

Sin,

Kim,

Sin

2022

Preprint

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“…On the other hand, recent studies [30][31][32][33][34][35][36][37][38][39][40][41][42] developed the free-energy based mean field theories significantly improved by considering the non-uniform size effects of ions and solvent molecules and orientational ordering of solvent dipoles, but any of them did not present estimate of how Bjerrum pairs affect the electrostatic properties close to charged surfaces.…”

Section: Introductionmentioning

confidence: 99%

Effect of Bjerrum pairs on electrostatic properties in an electrolyte solution near charged surfaces: A mean-field approach

Sin

2022

Preprint

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In this paper, we investigate the consequences of ion association, coupled with the considerations of finite size effects and orientational ordering of Bjerrum pairs as well as ions and water molecules, on electric double layer near charged surfaces. Based on the lattice statistical mechanics accounting for finite sizes and dipole moments of ions, Bjerrum pairs and solvent molecules, we consider the formation of Bjerrum pairs and derive the mathematical expressions for Bjerrum pair number density as well as cation/anion number density and water molecule number density.We reveal the several significant phenomena. Firstly, it is shown that our approach naturally yields the equilibrium constant for dissociation-association equilibrium between Bjerrum pairs and ions. Secondly, at low surface charge densities, an increase in the bulk concentration of Bjerrum pairs enhances the permittivity and decreases the differential capacitance. Next, for cases where Bjerrum pairs in an alcohol electrolyte solution have a high value of dipole moment, Bjerrum pair number density increases with decreasing distance from the charged surface, and differential capacitance and permittivity is high compared to ones for the cases with lower values of Bjerrum-pair dipole moments. Finally, we show that the difference in concentration and dipole moment of Bjerrum pairs can lead to some variation in osmotic pressure between two similarly charged surfaces.

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“…8,9 Surface tension studies, radiochemical studies, and simulations indicate that the counterions compete for surface adsorption at the water surface covered with charged surfactants. 2,3,10 In mixtures of monovalent cations, cations with smaller hydrated radius (i.e., higher charge density) tend to replace those with larger hydrated radius. Studies on charged lipid-covered aqueous interfaces have shown that the counterion concentration next to the lipid monolayer is much higher than in the subphase, 11 as predicted by the Gouy-Chapman model.…”

Section: Introductionmentioning

confidence: 99%

The surface affinity of cations depends on both the cations and the nature of the surface

Das

Bonn

Backus

2019

The Journal of Chemical Physics

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Effect of orientational ordering of water dipoles on stratification of counterions of different size in multicomponent electrolyte solution near charged surface - a mean field approach

Cited by 11 publications

References 44 publications

Effect of solvent polarization on electric double layer of a charged soft surface in an electrolyte solution

Effect of solvent polarization on electric double layer of a charged soft surface in an electrolyte solution

Effect of Bjerrum pairs on electrostatic properties in an electrolyte solution near charged surfaces: A mean-field approach

The surface affinity of cations depends on both the cations and the nature of the surface

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