Atrazine Desorption Mechanism from an Hydrated Calcium Montmorillonite—A DFT Molecular Dynamics Study

Atrazine Desorption Mechanism from an Hydrated Calcium Montmorillonite—A DFT Molecular Dynamics Study

Atrazine is one of the most widely used herbicide molecules in the triazine family. Despite its interdiction in the European Union in 2004, atrazine and its main degradation products remain among the most frequently found molecules in freshwater reservoirs in many European Union countries. Our study...

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Bibliographic Details
Main Authors: Quentin Desdion, Fabienne Bessac, Sophie Hoyau
Format: Article
Language:English
Published: MDPI AG 2024-01-01
Series:International Journal of Molecular Sciences
Subjects:
atrazine
clay
desorption
hydration
DFT
molecular dynamics
Online Access:https://www.mdpi.com/1422-0067/25/3/1604

Internet

https://www.mdpi.com/1422-0067/25/3/1604

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