Influence of Polarizability on the Prediction of the Electrical Double Layer Structure in a Clay Mesopore: A Molecular Dynamics Study-Reference-Cited by-同舟云学术

Influence of Polarizability on the Prediction of the Electrical Double Layer Structure in a Clay Mesopore: A Molecular Dynamics Study

Published:2020-02-24 Issue:11 Volume:124 Page:6221-6232
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Le Crom Sébastien¹²^ORCID,Tournassat Christophe³⁴⁵^ORCID,Robinet Jean-Charles²,Marry Virginie¹^ORCID

Affiliation:

1. Sorbonne Université, CNRS, PHysico-chimie des Électrolytes et Nano-systèmes InterfaciauX, PHENIX, 4 place Jussieu, F-75005 Paris, France

2. Agence Nationale pour la Gestion des Déchets Radioactifs (ANDRA), Parc de la Croix Blanche rue Jean Monnet, F-92298 Chatenay Malabry, France

3. Bureau de recherches géologiques et minières (BRGM), 3 Avenue Claude Guillemin, F-45100 Orléans, France

4. UMR 7327 Institut des Sciences de la Terre d’Orléans, Université d’Orléans-CNRS/INSU-BRGM, F-45071 Orléans, France

5. Earth and Environmental Sciences Area, Energy Geosciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States

Funder

Agence Nationale pour la Gestion des D?chets Radioactifs

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.0c00190

Reference94 articles.

1. Hydrated Cation Speciation at the Muscovite (001)−Water Interface

2. Monovalent Ion Adsorption at the Muscovite (001)–Solution Interface: Relationships among Ion Coverage and Speciation, Interfacial Water Structure, and Substrate Relaxation

3. Structure and dynamics of water at a clay surface from molecular dynamics simulation

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