Dielectric Properties of Water in Charged Nanopores
Thomas R. Underwood,Ian C. Bourg +1 more
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In this paper , the spectral dielectric properties of liquid water in charged nanopores over a wide range of frequencies and pore widths were examined using classical molecular dynamics simulations of hydrated Na-smectite.Abstract:
In this study, we examine the spectral dielectric properties of liquid water in charged nanopores over a wide range of frequencies (0.3 GHz to 30 THz) and pore widths (0.3 to 5 nm). This has been achieved using classical molecular dynamics simulations of hydrated Na-smectite, the prototypical swelling clay mineral. We observe a drastic (20-fold) and anisotropic decrease in the static relative permittivity of the system as the pore width decreases. This large decrement in static permittivity reflects a strong attenuation of the main Debye relaxation mode of liquid water. Remarkably, this strong attenuation entails very little change in the time scale of the collective relaxation. Our results indicate that water confined in charged nanopores is a distinct solvent with a much weaker collective nature than bulk liquid water, in agreement with recent observations of water in uncharged nanopores. Finally, we observe remarkable agreement between the dielectric properties of the simulated clay system against a compiled set of soil samples at various volumetric water contents. This implies that saturation may not be the sole property dictating the dielectric properties of soil samples, rather that the pore-size distribution of fully saturated nanopores may also play a critically important role.read more
Citations
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Frequency-Dependent Impedance of Nanocapacitors from Electrode Charge Fluctuations as a Probe of Electrolyte Dynamics.
TL;DR: In this paper , it was shown that the frequency-dependent impedance can be determined from the equilibrium dynamical fluctuations of the electrode charge in constantpotential molecular simulations, extending in particular a fluctuation-dissipation relation for the capacitance recovered in the low-frequency limit and providing an illustration on water-gold nanocapacitors.
Journal ArticleDOI
Frequency-Dependent Impedance of Nanocapacitors from Electrode Charge Fluctuations as a Probe of Electrolyte Dynamics
TL;DR: In this paper , the authors show that the frequency-dependent impedance can be determined from the equilibrium dynamical fluctuations of the electrode charge in constantpotential molecular simulations, extending in particular a fluctuation-dissipation for the capacitance recovered in the low-frequency limit and provide an illustration on water/gold nanocapacitors.
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Mechanism of oscillation of aqueous electrical double layer capacitance: Role of solvent
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Electrical noise in electrolytes: a theoretical perspective.
Thê Hoang Ngoc Minh,Jeongmin Kim,Giovanni Pireddu,Iurii Chubak,Swetha S. Nair,Benjamin Rotenberg +5 more
TL;DR: In this paper , the authors highlight the central role of the charge-charge dynamic structure factor in the fluctuations of electrical observables in electrolytes and offer a unifying perspective over a variety of complementary experiments.
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Biphasic concentration patterns in ionic transport under nanoconfinement revealed in steady-state and time-dependent properties.
María Queralt-Martín,Jose J. Perez-Grau,Laidy M Alvero González,D. Aurora Perini,Javier Cervera,Vicente M. Aguilella,Antonio Alcaraz +6 more
TL;DR: In this paper , the authors show that nanoconfinement triggers general biphasic concentration patterns in a myriad of ion transport properties by using two contrasting systems: a biological ion channel and a much larger synthetic nanopore.
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