Wedge wetting by electrolyte solutions

Mußotter, Maximilian; Bier, Markus

doi:10.1103/physreve.96.032605

Cited by 5 publications

(3 citation statements)

References 27 publications

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“…Liquid state theories [21][22][23][24][25][26][27][28][29][30][31][32] have experienced remarkable development during the past several decades. For liquid interface problems, one of the most effective theoretical tools is classical density functional theory (CDFT) [33,34], which is widely applied in broad areas like phase transitions occurring in confined fluid systems [35][36][37][38][39][40], surface and interface structures of neutral systems [41][42][43][44] and charged systems like the EDL systems [5,41,[45][46][47][48][49][50][51][52], effective inter-surface interactions [53][54][55][56][57][58].…”

Section: Introductionmentioning

confidence: 99%

Influence of ion structure and solvent electric dipole on ultrananoporous supercapacitor: a lattice model study

Zhou¹,

Zhou²

2022

Phys. Scr.

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A five-state modified BEG model is proposed for describing aqueous electrolyte in cylindrical pore so narrow that only one row of particles can be stationed. Two properties the closest to the actual situation of the aqueous electrolyte are integrated into the model: cation is dimer comprised of two tangentially tethered hard spheres of different diameters: one is charged, while the other is neutral, and solvent is modeled as neutral hard sphere with an electric dipole. The system partition function is obtained by numerically solving maximum real root of characteristic equation of Kramers-Wannier transfer matrix. The present theory reduces to that by the Rochester et al by making both the cation neutral sphere size and electric dipole moment of the solvent equal to zero. The model is used to investigate effects of cation shape and electric valence, solvent electric dipole moment, and cylindrical pore radius on specific differential capacitance and specific energy storage in electric double layer supercapacitor formed inside the cylindrical pore. Main findings are briefly described below. (i) With dimer counter-ion electric valence changing from 1 to 2, the peak becomes higher, and the peak position becomes nearer to the zero charge potential; as a comprehensive effect of these changes, the dimer counter-ion electric valence does not exert obvious influence on the saturation value , but reduces the threshold electrode potential strength , beyond which the value is just and approximately reached. (ii) Whether the dimer counter-ion is monovalent or bivalent, the peak height and the value tend to rise with the dimer neutral site size decreasing, but influence of the value on the value is very small. Only when the value is small enough, the value rises a little with decrease of the value. (iii) Increase of solvent electric dipole moment (wheth

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Section: Introductionmentioning

confidence: 99%

Influence of ion structure and solvent electric dipole on ultrananoporous supercapacitor: a lattice model study

Zhou¹,

Zhou²

2022

Phys. Scr.

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“…For the nanoscaled channels, the impact of the surface forces arising from electrostatic, electrodynamic, hydrophobic, steric, and structural interactions is tremendous and cannot be ignored [9]. Despite the fact that there are a number of works on the wetting of wedges employing the surface force approach, all of them aim to discuss either the critical wetting (filling behavior) [30][31][32][33] or the stability of rivulets [15]. That leads to consideration of a simplified geometry of the problem (two dimensional instead of three dimensional) and no question on the possible rivulet flow arises since the liquid profile is translationally invariant along the channel.…”

Section: Introductionmentioning

confidence: 99%

Edge Wetting: Steady State of Rivulets in Wedges

Kubochkin,

Gambaryan-Roisman

2022

Preprint

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The geometry of rough, textured, fractured and porous media is topologically complicated. Those media are commonly represented by bundles of capillary tubes when modeled. However, angle-containing geometries can serve as a more realistic portrayal of their inner structure. A basic element abidingly inherent to all of them is an open wedge-like channel. The classical theory of capillarity ignoring intermolecular interactions implies that liquid entering the wedge must propagate indefinitely along its spine when the liquid-gas interface is concave. The latter is well-known as a Concus-Finn condition. In the present paper, we show that steady-state rivulets violating Concus-Finn condition can be formed in such channels when the surface forces are taken into account. We present a simple model based on the disjoining pressure approach and analyze the shape of the rivulets in the wedges. Besides, we consider a case when the walls of the wedge are soft and can be deformed by the liquid.

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“…As a result, RPM is routinely used to study the phase behavior of ionic systems including liquid-liquid equilibrium in organic electrolytes 25,26 and wetting transitions of ionic liquids. 27,28 Classical density functional theory (DFT) represents one of the most efficient theoretical tools to study phase transitions in confined fluids. 29,30 Previously, different versions of DFT had been applied to describe the vapor-liquid coexistence of ionic fluids confined in slit pores.…”

Section: Introductionmentioning

confidence: 99%

Does capillary evaporation limit the accessibility of nonaqueous electrolytes to the ultrasmall pores of carbon electrodes?

Liu

Zhang

2018

The Journal of Chemical Physics

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Porous carbons have been widely utilized as electrode materials for capacitive energy storage. Whereas the importance of pore size and geometry on the device performance has been well recognized, little guidance is available for identification of carbon materials with ideal porous structures. In this work, we study the phase behavior of ionic fluids in slit pores using the classical density functional theory. Within the framework of the restricted primitive model for nonaqueous electrolytes, we demonstrate that the accessibility of micropores depends not only on the ionic diameters (or desolvation) but also on their wetting behavior intrinsically related to the vapor-liquid or liquid-liquid phase separation of the bulk ionic systems. Narrowing the pore size from several tens of nanometers to subnanometers may lead to a drastic reduction in the capacitance due to capillary evaporation. The wettability of micropores deteriorates as the pore size is reduced but can be noticeably improved by raising the surface electrical potential. The theoretical results provide fresh insights into the properties of confined ionic systems beyond electric double layer models commonly employed for rational design/selection of electrolytes and electrode materials.

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Wedge wetting by electrolyte solutions

Cited by 5 publications

References 27 publications

Influence of ion structure and solvent electric dipole on ultrananoporous supercapacitor: a lattice model study

Influence of ion structure and solvent electric dipole on ultrananoporous supercapacitor: a lattice model study

Edge Wetting: Steady State of Rivulets in Wedges

Does capillary evaporation limit the accessibility of nonaqueous electrolytes to the ultrasmall pores of carbon electrodes?

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