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Naji, M. |
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Motta, Antonella |
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Aletan, Dirar |
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Mohamed, Tarek |
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Ertürk, Emre |
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Taccardi, Nicola |
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Kononenko, Denys |
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Petrov, R. H. | Madrid |
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Alshaaer, Mazen | Brussels |
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Bih, L. |
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Casati, R. |
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Muller, Hermance |
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Kočí, Jan | Prague |
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Šuljagić, Marija |
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Kalteremidou, Kalliopi-Artemi | Brussels |
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Azam, Siraj |
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Ospanova, Alyiya |
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Blanpain, Bart |
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Ali, M. A. |
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Popa, V. |
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Rančić, M. |
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Ollier, Nadège |
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Azevedo, Nuno Monteiro |
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Landes, Michael |
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Rignanese, Gian-Marco |
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Ghoufi, Aziz
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (15/15 displayed)
- 2024Surface free energy calculation of the solid–fluid interfaces from molecular simulationcitations
- 2022Water transport through a two-dimensional nanoporous material: is there a relationship between water flux and surface tension?
- 2022Water transport through a two-dimensional nanoporous material: is there a relationship between water flux and surface tension?
- 2021Static dielectric permittivity of ionic liquids ultraconfined in carbon nanotubescitations
- 2021Static dielectric permittivity of ionic liquids ultraconfined in carbon nanotubescitations
- 2021Static dielectric permittivity of ionic liquids ultraconfined in carbon nanotubescitations
- 2017Interactions of Organics within Hydrated Selective Layer of Reverse Osmosis Desalination Membrane: A Combined Experimental and Computational Studycitations
- 2016Is Fine-Grained Simulation Able to Propose New Polyelectrolyte Membranes?citations
- 2016Microscopic Model of the Metal-Organic Framework/Polymer Interface: A First Step toward Understanding the Compatibility in Mixed Matrix Membranescitations
- 2015Unravelling the Anomalous Dielectric Permittivity of Nanoconfined Electrolyte Solutionscitations
- 2015Tunable dielectric constant of water at the nanoscalecitations
- 2015Superpermittivity of nanoconfined water.citations
- 2014Concentration Dependence of the Dielectric Permittivity, Structure and Dynamics of Aqueous NaCl Solutions: Comparison between the Drude Oscillator and Electronic Continuum Models.citations
- 2013Nanoconfined Electrolyte Solutions in porous Hydrophilic Silica Membranes.citations
- 2012Calculation of local dielectric permittivity of confined liquids from spatial dipolar correlationscitations
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article
Unravelling the Anomalous Dielectric Permittivity of Nanoconfined Electrolyte Solutions
Abstract
The dielectric properties of sodium chloride solutions confined in a hydrophilic nanocavity were investigated by means of molecular dynamics simulations. Unlike what is observed in the bulk phase, three dielectric regimes were evidenced, namely an anomalous increase in the dielectric permittivity at low concentrations (with respect to confined pure water), a dielectric plateau at intermediate concentrations and finally a bulk-like behavior for salt concentrations higher than a critical value. It was shown that this peculiar behavior results from the competition between dielectric saturation due to the electric field generated by ions (which tends to lower the dielectric permittivity) and the ion-induced perturbation of pre-oriented water molecules inside the nanocavity which gain some rotational degrees of freedom (entropic contribution) leading to an increase in dipolar fluctuations responsible for the increase in the dielectric permittivity.