The Effect of Mg, Fe(II), and Al Doping on CH<sub>4</sub>: Adsorption and Diffusion on the Surface of Na-Kaolinite (001) by Molecular Simulations

The Effect of Mg, Fe(II), and Al Doping on CH<sub>4</sub>: Adsorption and Diffusion on the Surface of Na-Kaolinite (001) by Molecular Simulations

Because kaolinite includes a large range of defect elements, the effects of Mg, Fe(II), and Al doping on the CH<sub>4</sub> adsorption and diffusion on the surface of Na-kaolinite (001) were investigated by molecular simulations. The simulation results illustrate that ion doping can sign...

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Bibliographic Details
Main Authors:	Kai Wang, Bin Zhang, Tianhe Kang
Format:	Article
Language:	English
Published:	MDPI AG 2020-02-01
Series:	Molecules
Subjects:	doped ch<sub>4</sub> adsorption diffusion molecular simulation
Online Access:	https://www.mdpi.com/1420-3049/25/4/1001

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