Atomistic Computer Simulations of Uranyl Adsorption on Hydrated Illite and Smectite Surfaces

Atomistic Computer Simulations of Uranyl Adsorption on Hydrated Illite and Smectite Surfaces

A quantitative understanding of the molecular-scale mechanisms of radionuclide sorption on different clay minerals is crucial for the development and safe implementation of geological nuclear waste disposal technologies. We apply classical molecular dynamics (MD) computer simulations to study the ad...

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Bibliographic Details
Main Authors: Anna D. Krot, Irina E. Vlasova, Evgeny V. Tararushkin, Andrey G. Kalinichev
Format: Article
Language:English
Published: MDPI AG 2024-01-01
Series:Minerals
Subjects:
uranyl
clay
illite
smectite
basal surface
structural properties
Online Access:https://www.mdpi.com/2075-163X/14/1/109

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