Molecular structure, dynamics and adsorption behavior of water molecules and ions on [0 1 0] surface of γ-FeOOH: A molecular dynamics approach

Dongshuai Hou,Xiaoqian Xu,Yiming Ge, Pan Wang,Jizhou Chen,Jinrui Zhang

Construction and Building Materials（2019）

引用 13|浏览1

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摘要

•The surface FeO6 octahedron affects adsorption structure of water.•The Cl− and Na+ ions have different adsorption mechanism on the γ-FeOOH surface.•The γ-FeOOH substrate degrades the diffusion properties of liquid species.

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关键词

γ-FeOOH,H-bond,Ionic pair,Hydration structure,Chloride adsorption

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