Describing screening in dense ionic fluids with a charge-frustrated Ising model

Ludwig, Nicholas B.; Dasbiswas, Kinjal; Talapin, Dmitri V.; Vaikuntanathan, Suriyanarayanan

doi:10.1063/1.5043410

Cited by 23 publications

(26 citation statements)

References 45 publications

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“…In this large κ D limit, the charge-frustrated Ising model of Ref. [40] predicts pure charge oscillations.…”

Section: Discussionmentioning

confidence: 83%

“…However, since this elegant picture is based on defects in the crystalline state, which occurs for aqueous NaCl solutions above 6 M [38], while the experiments show an increase in the screening length even around 1 M, the understanding of the fluid state is still incomplete. The scaling law has motivated several other recent theoretical works [39][40][41], but has not yet been fully understood. While these works rely on different assumptions and yield slightly different results, all of them introduce in a similar way some non-Coulomb short-range interactions between the ions (and possibly, the solvent).…”

Section: Introductionmentioning

confidence: 99%

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Screening length for finite-size ions in concentrated electrolytes

et al. 2019

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The classical Debye-Hückel (DH) theory clearly accounts for the origin of screening in electrolyte solutions and works rather well for dilute electrolyte solutions. While the Debye screening length decreases with the ion concentration and is independent of ion size, recent surface-force measurements imply that for concentrated solutions, the screening length exhibits an opposite trend; it increases with ion concentration and depends on the ionic size. The screening length is usually defined by the response of the electrolyte solution to a test charge, but can equivalently be derived from the charge-charge correlation function. By going beyond DH theory, we predict the effects of ion size on the charge-charge correlation function. A simple modification of the Coulomb interaction kernel to account for the excluded volume of neighboring ions yields a non-monotonic dependence of the screening length (correlation length) on the ionic concentration, as well as damped charge oscillations for high concentrations.

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“…In this large κ D limit, the charge-frustrated Ising model of Ref. [40] predicts pure charge oscillations.…”

Section: Discussionmentioning

confidence: 83%

Section: Introductionmentioning

confidence: 99%

Screening length for finite-size ions in concentrated electrolytes

et al. 2019

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“…Other systematic modeling efforts employ computer simulations [10] or use density functional theory [11][12][13]. There is also a class of models that attempt to incorporate ion-ion correlations and still preserve the conceptual simplicity of mean-field approaches [14][15][16][17][18][19][20][21]. A premier example for the latter is the incorporation of a nonlocal dielectric constant by Bazant, Storey, and Kornyshev (BSK) [22] into the lattice-based [23] mean-field model of the EDL.…”

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confidence: 99%

Stability of ionic liquid modeled by composite Coulomb-Yukawa potentials

Bossa

May

2020

Phys. Rev. Research

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An ionic liquid modeled as a densely packed lattice with composite ion-specific Coulomb-Yukawa pair interactions tends to be unstable near a planar electrode, given the Yukawa potential mediates an effective short-range attraction of the ions. We present a comprehensive mean-field model, accounting for ion-specific electrode-ion interactions and for the propagation of the Yukawa field into the electrode. The surface instability precedes the spinodal instability of the ionic liquid and may thus lead to hysteresis and to a large differential capacitance in the metastable region of the phase diagram, but not necessarily to oscillations of the net charge density.

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“…The scaling behavior was observed for a number of simple salts (NaCl, LiCl, Kl, CsCl) in water, and for 1-butyl-1-methylpyrrolidinium bis[(trifluoromethyl)sulfonyl]imide ([C4C1Pyrr][NTf2]) in a number of solvents (propylene carbonate, dimethyl sulfoxide, acetonitrile, anhydrous benzonitrile), as well as for pure ILs [C2mim][NTf2] and [C3mim][NTf2] (in the latter case, the temperature dependence was verified). A scaling law for the screening length has been confirmed in theories based on different assumptions [ 136 , 137 , 138 , 139 , 140 , 141 ] and in all-atom molecular dynamics simulations [ 142 , 143 ]. The scaling exponents, however, appeared to be significantly lower than the experimentally measured one.…”

Section: Ionic Liquidsmentioning

confidence: 85%

Phase Transitions and Electrochemical Properties of Ionic Liquids and Ionic Liquid—Solvent Mixtures

Cruz

Ciach

2021

Molecules

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Recent advances in studies of ionic liquids (IL) and ionic liquid–solvent mixtures are reviewed. Selected experimental, simulation, and theoretical results for electrochemical, thermodynamical, and structural properties of IL and IL-solvent mixtures are described. Special attention is paid to phenomena that are not predicted by the classical theories of the electrical double layer or disagree strongly with these theories. We focus on structural properties, especially on distribution of ions near electrodes, on electrical double layer capacitance, on effects of confinement, including decay length of a dissjoining pressure between confinig plates, and on demixing phase transition. In particular, effects of the demixing phase transition on electrochemical properties of ionic liquid–solvent mixtures for different degrees of confinement are presented.

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Describing screening in dense ionic fluids with a charge-frustrated Ising model

Cited by 23 publications

References 45 publications

Screening length for finite-size ions in concentrated electrolytes

Screening length for finite-size ions in concentrated electrolytes

Stability of ionic liquid modeled by composite Coulomb-Yukawa potentials

Phase Transitions and Electrochemical Properties of Ionic Liquids and Ionic Liquid—Solvent Mixtures

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