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Review

Water and Ion Dynamics in Confined Media: A Multi-Scale Study of the Clay/Water Interface

by
Patrice Porion
1,*,
Ali Asaad
2,
Thomas Dabat
2,
Baptiste Dazas
2,
Alfred Delville
1,*,
Eric Ferrage
2,
Fabien Hubert
2,
Mónica Jiménez-Ruiz
3,
Laurent J. Michot
4,
Sébastien Savoye
5 and
Emmanuel Tertre
2
1
Interfaces, Confinement, Matériaux et Nanostructures (ICMN), UMR 7374, CNRS, Université d’Orléans, 1b Rue de la Férollerie, CS 40059, CEDEX 2, F-45071 Orléans, France
2
IC2MP, UMR 7285, CNRS, Université de Poitiers, 5 Rue Albert Turpain, Bât. B8, TSA 51106, CEDEX 9, F-86073 Poitiers, France
3
Institut Laue-Langevin, 71 Avenue des Martyrs, CS 20156, CEDEX 9, F-38042 Grenoble, France
4
Laboratoire PHENIX, UMR 8234, CNRS, Sorbonne Université, UPMC, 4 Place Jussieu, CEDEX 5, F-75252 Paris, France
5
Université Paris-Saclay, CEA, Service d’Etude du Comportement des Radionucléides, F-91191 Gif-sur-Yvette, France
*
Authors to whom correspondence should be addressed.
Colloids Interfaces 2021, 5(2), 34; https://doi.org/10.3390/colloids5020034
Submission received: 18 March 2021 / Revised: 7 June 2021 / Accepted: 9 June 2021 / Published: 15 June 2021
(This article belongs to the Special Issue Interfacial Dynamics)
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Abstract

This review details a large panel of experimental studies (Inelastic Neutron Scattering, Quasi-Elastic Neutron Scattering, Nuclear Magnetic Resonance relaxometry, Pulsed-Gradient Spin-Echo attenuation, Nuclear Magnetic Resonance Imaging, macroscopic diffusion experiments) used recently to probe, over a large distribution of characteristic times (from pico-second up to days), the dynamical properties of water molecules and neutralizing cations diffusing within clay/water interfacial media. The purpose of this review is not to describe these various experimental methods in detail but, rather, to investigate the specific dynamical information obtained by each of them concerning these clay/water interfacial media. In addition, this review also illustrates the various numerical methods (quantum Density Functional Theory, classical Molecular Dynamics, Brownian Dynamics, macroscopic differential equations) used to interpret these various experimental data by analyzing the corresponding multi-scale dynamical processes. The purpose of this multi-scale study is to perform a bottom-up analysis of the dynamical properties of confined ions and water molecules, by using complementary experimental and numerical studies covering a broad range of diffusion times (between pico-seconds up to days) and corresponding diffusion lengths (between Angstroms and centimeters). In the context of such a bottom-up approach, the numerical modeling of the dynamical properties of the diffusing probes is based on experimental or numerical investigations performed on a smaller scale, thus avoiding the use of empirical or fitted parameters.
Keywords: dynamics; interface; clay; Inelastic and Quasi-Elastic Neutron Scattering; Nuclear Magnetic Resonance relaxometry; Pulsed-Gradient Spin-Echo attenuation; Magnetic Resonance Imaging; macroscopic diffusion experiments; self-diffusion coefficient; multi-scale modeling dynamics; interface; clay; Inelastic and Quasi-Elastic Neutron Scattering; Nuclear Magnetic Resonance relaxometry; Pulsed-Gradient Spin-Echo attenuation; Magnetic Resonance Imaging; macroscopic diffusion experiments; self-diffusion coefficient; multi-scale modeling

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MDPI and ACS Style

Porion, P.; Asaad, A.; Dabat, T.; Dazas, B.; Delville, A.; Ferrage, E.; Hubert, F.; Jiménez-Ruiz, M.; Michot, L.J.; Savoye, S.; et al. Water and Ion Dynamics in Confined Media: A Multi-Scale Study of the Clay/Water Interface. Colloids Interfaces 2021, 5, 34. https://doi.org/10.3390/colloids5020034

AMA Style

Porion P, Asaad A, Dabat T, Dazas B, Delville A, Ferrage E, Hubert F, Jiménez-Ruiz M, Michot LJ, Savoye S, et al. Water and Ion Dynamics in Confined Media: A Multi-Scale Study of the Clay/Water Interface. Colloids and Interfaces. 2021; 5(2):34. https://doi.org/10.3390/colloids5020034

Chicago/Turabian Style

Porion, Patrice, Ali Asaad, Thomas Dabat, Baptiste Dazas, Alfred Delville, Eric Ferrage, Fabien Hubert, Mónica Jiménez-Ruiz, Laurent J. Michot, Sébastien Savoye, and et al. 2021. "Water and Ion Dynamics in Confined Media: A Multi-Scale Study of the Clay/Water Interface" Colloids and Interfaces 5, no. 2: 34. https://doi.org/10.3390/colloids5020034

APA Style

Porion, P., Asaad, A., Dabat, T., Dazas, B., Delville, A., Ferrage, E., Hubert, F., Jiménez-Ruiz, M., Michot, L. J., Savoye, S., & Tertre, E. (2021). Water and Ion Dynamics in Confined Media: A Multi-Scale Study of the Clay/Water Interface. Colloids and Interfaces, 5(2), 34. https://doi.org/10.3390/colloids5020034

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