Mechanism research on surface hydration of kaolinite, insights from DFT and MD simulations

Published 2019 View Full Article

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Title
Mechanism research on surface hydration of kaolinite, insights from DFT and MD simulations
Authors
Keywords
Water, Kaolinite, Surface hydration, Density functional theory, Molecular dynamics
Journal
APPLIED SURFACE SCIENCE
Volume 476, Issue -, Pages 6-15
Publisher
Elsevier BV
Online
2019-01-10
DOI
10.1016/j.apsusc.2019.01.081

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