Water and Ion Dynamics in Confined Media: A Multi-Scale Study of the Clay/Water Interface
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, ove...
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| Format: | Article |
| Language: | English |
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MDPI AG
2021-06-01
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| Series: | Colloids and Interfaces |
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| Online Access: | https://www.mdpi.com/2504-5377/5/2/34 |
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| author | Patrice Porion Ali Asaad Thomas Dabat Baptiste Dazas Alfred Delville Eric Ferrage Fabien Hubert Mónica Jiménez-Ruiz Laurent J. Michot Sébastien Savoye Emmanuel Tertre |
| author_facet | Patrice Porion Ali Asaad Thomas Dabat Baptiste Dazas Alfred Delville Eric Ferrage Fabien Hubert Mónica Jiménez-Ruiz Laurent J. Michot Sébastien Savoye Emmanuel Tertre |
| author_sort | Patrice Porion |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-03-10T10:24:18Z |
| format | Article |
| id | doaj.art-50b2f1b11d07451eac0cbefae72c1026 |
| institution | Directory Open Access Journal |
| issn | 2504-5377 |
| language | English |
| last_indexed | 2024-03-10T10:24:18Z |
| publishDate | 2021-06-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Colloids and Interfaces |
| spelling | doaj.art-50b2f1b11d07451eac0cbefae72c10262023-11-22T00:09:49ZengMDPI AGColloids and Interfaces2504-53772021-06-01523410.3390/colloids5020034Water and Ion Dynamics in Confined Media: A Multi-Scale Study of the Clay/Water InterfacePatrice Porion0Ali Asaad1Thomas Dabat2Baptiste Dazas3Alfred Delville4Eric Ferrage5Fabien Hubert6Mónica Jiménez-Ruiz7Laurent J. Michot8Sébastien Savoye9Emmanuel Tertre10Interfaces, Confinement, Matériaux et Nanostructures (ICMN), UMR 7374, CNRS, Université d’Orléans, 1b Rue de la Férollerie, CS 40059, CEDEX 2, F-45071 Orléans, FranceIC2MP, UMR 7285, CNRS, Université de Poitiers, 5 Rue Albert Turpain, Bât. B8, TSA 51106, CEDEX 9, F-86073 Poitiers, FranceIC2MP, UMR 7285, CNRS, Université de Poitiers, 5 Rue Albert Turpain, Bât. B8, TSA 51106, CEDEX 9, F-86073 Poitiers, FranceIC2MP, UMR 7285, CNRS, Université de Poitiers, 5 Rue Albert Turpain, Bât. B8, TSA 51106, CEDEX 9, F-86073 Poitiers, FranceInterfaces, Confinement, Matériaux et Nanostructures (ICMN), UMR 7374, CNRS, Université d’Orléans, 1b Rue de la Férollerie, CS 40059, CEDEX 2, F-45071 Orléans, FranceIC2MP, UMR 7285, CNRS, Université de Poitiers, 5 Rue Albert Turpain, Bât. B8, TSA 51106, CEDEX 9, F-86073 Poitiers, FranceIC2MP, UMR 7285, CNRS, Université de Poitiers, 5 Rue Albert Turpain, Bât. B8, TSA 51106, CEDEX 9, F-86073 Poitiers, FranceInstitut Laue-Langevin, 71 Avenue des Martyrs, CS 20156, CEDEX 9, F-38042 Grenoble, FranceLaboratoire PHENIX, UMR 8234, CNRS, Sorbonne Université, UPMC, 4 Place Jussieu, CEDEX 5, F-75252 Paris, FranceUniversité Paris-Saclay, CEA, Service d’Etude du Comportement des Radionucléides, F-91191 Gif-sur-Yvette, FranceIC2MP, UMR 7285, CNRS, Université de Poitiers, 5 Rue Albert Turpain, Bât. B8, TSA 51106, CEDEX 9, F-86073 Poitiers, FranceThis 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.https://www.mdpi.com/2504-5377/5/2/34dynamicsinterfaceclayInelastic and Quasi-Elastic Neutron ScatteringNuclear Magnetic Resonance relaxometryPulsed-Gradient Spin-Echo attenuation |
| spellingShingle | Patrice Porion Ali Asaad Thomas Dabat Baptiste Dazas Alfred Delville Eric Ferrage Fabien Hubert Mónica Jiménez-Ruiz Laurent J. Michot Sébastien Savoye Emmanuel Tertre Water and Ion Dynamics in Confined Media: A Multi-Scale Study of the Clay/Water Interface Colloids and Interfaces dynamics interface clay Inelastic and Quasi-Elastic Neutron Scattering Nuclear Magnetic Resonance relaxometry Pulsed-Gradient Spin-Echo attenuation |
| title | Water and Ion Dynamics in Confined Media: A Multi-Scale Study of the Clay/Water Interface |
| title_full | Water and Ion Dynamics in Confined Media: A Multi-Scale Study of the Clay/Water Interface |
| title_fullStr | Water and Ion Dynamics in Confined Media: A Multi-Scale Study of the Clay/Water Interface |
| title_full_unstemmed | Water and Ion Dynamics in Confined Media: A Multi-Scale Study of the Clay/Water Interface |
| title_short | Water and Ion Dynamics in Confined Media: A Multi-Scale Study of the Clay/Water Interface |
| title_sort | water and ion dynamics in confined media a multi scale study of the clay water interface |
| topic | dynamics interface clay Inelastic and Quasi-Elastic Neutron Scattering Nuclear Magnetic Resonance relaxometry Pulsed-Gradient Spin-Echo attenuation |
| url | https://www.mdpi.com/2504-5377/5/2/34 |
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