Mechanism research on surface hydration of kaolinite, insights from DFT and MD simulations
Sign Up to like & getrecommendations! Published in 2019 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2019.01.081
Abstract: Abstract The surface hydration is one of the main reasons for the difficulty of coal slurry water sedimentation and dewatering, the Density functional theory (DFT) and Molecular dynamics (MD) simulations on the surface hydration of… read more here.
Keywords: water; surface; kaolinite surface; surface hydration ... See more keywords
Adsorption of Ca(II) and K(I) on the kaolinite surface: a DFT study with an experimental verification
Sign Up to like & getrecommendations! Published in 2021 at "Molecular Physics"
DOI: 10.1080/00268976.2021.1896047
Abstract: The clay minerals have a negative influence on the settlement of coal tailings, and the addition of metal cations has a positive effect on treating coal tailings water. Microscopic adsorption mechanism of Ca(II) and K(I)… read more here.
Keywords: adsorption; surface dft; surface; adsorption kaolinite ... See more keywords