Adsorption of Methylene Blue on Activated Carbon Surfaces Obtained by Shock Compression of Graphite Using Reactive Molecular Dynamics

Adsorption of Methylene Blue on Activated Carbon Surfaces Obtained by Shock Compression of Graphite Using Reactive Molecular Dynamics

This study explores the formation of functionalized carbon surfaces through shock compression of graphite in the presence of water, modeled using molecular dynamics and the ReaxFF reactive force field. The shock compression method produces activated carbon with surface functionalities, primarily hyd...

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Bibliographic Details
Main Authors: Tomasz Panczyk, Pawel Wolski, Krzysztof Nieszporek, Robert Pietrzak
Format: Article
Language:English
Published: MDPI AG 2024-12-01
Series:Molecules
Subjects:
shock compression
activated carbon
methylene blue
molecular dynamics
Online Access:https://www.mdpi.com/1420-3049/29/24/6030
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