Influence of Water Saturation Level on Electrical Double Layer Properties in a Clay Mineral Mesopore: A Molecular Dynamics Study

Molecular dynamics simulations were conducted to evaluate the effect of water desaturation on ion and water density distributions and diffusion properties in a clay mineral mesopore. Simulations were carried out using the polarizable ion model (PIM) force field. Desaturation of the pore was responsi...

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Veröffentlicht in:	Journal of physical chemistry. C 2022-01, Vol.126 (1), p.647-654
Hauptverfasser:	Le Crom, Sébastien, Tournassat, Christophe, Robinet, Jean-Charles, Marry, Virginie
Format:	Artikel
Sprache:	eng
Schlagworte:	C: Physical Properties of Materials and Interfaces Physics
Online-Zugang:	Volltext
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