Molecular Dynamics Model to Explore the Initial Stages of Anion Exchange involving Layered Double Hydroxide Particles

Molecular Dynamics Model to Explore the Initial Stages of Anion Exchange involving Layered Double Hydroxide Particles

A classical molecular dynamics (MD) model of fully unconstrained layered double hydroxide (LDH) particles in aqueous NaCl solution was developed to explore the initial stages of the anion exchange process, a key feature of LDHs for their application in different fields. In particular, this study foc...

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Bibliographic Details
Main Authors: Gerard Novell Leruth, Alena Kuznetsova, João Tedim, José R. B. Gomes, Tiago L. P. Galvão
Format: Article
Language:English
Published: MDPI AG 2022-11-01
Series:Nanomaterials
Subjects:
layered double hydroxides
molecular dynamics
anion exchange
delamination
corrosion inhibitor
self-healing
Online Access:https://www.mdpi.com/2079-4991/12/22/4039

Internet

https://www.mdpi.com/2079-4991/12/22/4039

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