Correlation functions in an ionic liquid at coexistence with an ionic crystal: results of the Brazovskii-type field theory

Patsahan, Oksana; Ciach, A.

doi:10.1088/0953-8984/19/23/236203

Cited by 19 publications

(50 citation statements)

References 36 publications

(236 reference statements)

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“…In Ref. [17] it was shown that for large values of T * /ρ 0 , the parameter c 0 differs from 1/ρ 0 rather weakly. For small values of T * /ρ 0 , however, c 0 is significantly different from 1/ρ 0 , and the artifact of the MF approximation -namely the continuous transition to the charge-ordered phase present in MF and absent in reality, is replaced by the first order transition to an ionic crystal.…”

Section: Euler-lagrange Equation For a Confined Systemmentioning

confidence: 99%

“…In Ref. [17] the expansion in (20) was truncated at n = 2. From (20) and (11)- (15) we obtain the following approximation for the excess grand potential…”

Section: Short Summary Of the Theory For The Bulk Systemmentioning

confidence: 99%

“…In Ref. [17]G φφ (k) was calculated in the self-consistent one-loop approximation. In this approximation, the k-dependence ofG φφ (k) is the same as the k-dependence ofG 0 φφ (k), and…”

Section: Short Summary Of the Theory For The Bulk Systemmentioning

confidence: 99%

“…For small values of T * /ρ 0 , however, c 0 is significantly different from 1/ρ 0 , and the artifact of the MF approximation -namely the continuous transition to the charge-ordered phase present in MF and absent in reality, is replaced by the first order transition to an ionic crystal. The latter transition occurs for much higher density of ions [17,21]. Here we treat c 0 as a parameter depending on the thermodynamic state, such that…”

Section: Euler-lagrange Equation For a Confined Systemmentioning

confidence: 99%

“…In the theory developed in Ref. [15][16][17], oscillatory decay of correlations was obtained on the MF level [16,17]. This theory is a kind of simplistic DFT, combined with the field-theoretic way of incorporating fluctuations beyond its MF version.…”

Section: Introductionmentioning

confidence: 99%

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Simple theory for oscillatory charge profile in ionic liquids near a charged wall

Ciach

2018

Journal of Molecular Liquids

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The mesoscopic field theory for ionic systems [A. Ciach and G. Stell, J. Mol. Liq. 87, 255 (2000)] is extended to the system with charged boundaries. A very simple expression for the excess grand potential functional of the charge density is developed. The size of hard-cores of ions is taken into account in the expression for the internal energy. The functional is suitable for a description of a distribution of ions in ionic liquids and ionic liquid mixtures with neutral components near a weakly charged wall. The Euler-Lagrange equation is obtained, and solved for a flat confining surface. An exponentially damped oscillatory charge density profile is obtained. The electrostatic potential for the restricted primitive model agrees with the simulation results on a semiquantitative level.

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Section: Euler-lagrange Equation For a Confined Systemmentioning

confidence: 99%

“…In Ref. [17] the expansion in (20) was truncated at n = 2. From (20) and (11)- (15) we obtain the following approximation for the excess grand potential…”

Section: Short Summary Of the Theory For The Bulk Systemmentioning

confidence: 99%

Section: Short Summary Of the Theory For The Bulk Systemmentioning

confidence: 99%

Section: Euler-lagrange Equation For a Confined Systemmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Simple theory for oscillatory charge profile in ionic liquids near a charged wall

Ciach

2018

Journal of Molecular Liquids

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The effect of short-range interaction and correlations on the charge and electric field distribution in a model solid electrolyte

et al. 2019

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A simple lattice model of a solid electrolyte presented as a xy-slab geometry system of mobile cations on a background of energetic landscape of the host system and a compensating field of uniformly distributed anions is studied. The system is confined in the z-direction between two oppositely charged walls, which are in parallel to xy-plane. Besides the long-range Coulomb interactions appearing in the system, the short-range attractive potential between cations is considered in our study. We propose the mean field description of this model and extend it by taking into account correlation effects at short distances. Using the free energy minimization at each of z-coordinates, the corresponding set of non-linear equations for the chemical potential is derived. The set of equations was solved numerically with respect to the charge density distribution in order to calculate the cations distribution profile and the electrostatic potential in the system along z-direction under different conditions. An asymmetry of charge distribution profile with respect to the midplane of the system is observed. The effects of the short-range interactions and pair correlations on the charge and electric field distributions are demonstrated.

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Mesoscopic Inhomogeneities in Concentrated Electrolytes

Patsahan

Ciach

2022

ACS Omega

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A mesoscopic theory for water-in-salt electrolytes combining density functional and field-theoretic methods is developed in order to explain the unexpectedly large period of the oscillatory decay of the disjoining pressure observed in recent experiments for the lithium bis(trifluoromethylsulfonyl)-imide (LiTFSI) salt [T. S. Groves et al., J. Phys. Chem. Lett. 2021 , 12 , 1702]. We assumed spherical ions with different diameters and implicit solvent, inducing strong, short-range attraction between ions of the same sign. For this highly simplified model, we calculated correlation functions. Our results indicate that mesoscopic inhomogeneities can occur when the sum of the Coulomb and the water-mediated interactions between like ions is attractive at short and repulsive at large distances. We adjusted the attractive part of the potential to the water-in-LiTFSI electrolyte and obtained both the period and the decay rate of the correlations, in semiquantitative agreement with the experiment. In particular, the decay length of the correlations increases nearly linearly with the volume fraction of ions.

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Correlation functions in an ionic liquid at coexistence with an ionic crystal: results of the Brazovskii-type field theory

Cited by 19 publications

References 36 publications

Simple theory for oscillatory charge profile in ionic liquids near a charged wall

Simple theory for oscillatory charge profile in ionic liquids near a charged wall

The effect of short-range interaction and correlations on the charge and electric field distribution in a model solid electrolyte

Mesoscopic Inhomogeneities in Concentrated Electrolytes

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