首页|Influence mechanism of Fe3+doping on the hydrophobic regulation of kaolinite/water interface:Experiments and MD simulations
Influence mechanism of Fe3+doping on the hydrophobic regulation of kaolinite/water interface:Experiments and MD simulations
扫码查看
点击上方二维码区域，可以放大扫码查看
原文链接
万方数据
The surface/interfacial reactivity of clay is a critical factor influencing the sedimentation of coal slurry water.To achieve efficient sedimentation of coal slurry water,this paper introduces a novel approach that regulates the hydrophobicity of defective active sites in clay minerals.Fe3+-doped kaolinite (Fe3+-Kao) was synthesized by hydrothermal methods.Subsequently,tests were conducted on the adsorption capac-ity,surface wettability,and agglomeration sedimentation of alkyl amine/ammonium salts (AAS) on Fe3+-Kao surfaces.Fe3+doping significantly enhances AAS adsorption and alters surface properties from hydro-philic to hydrophobic,promoting kaolinite particle aggregation and sedimentation,thereby improving coal slurry water treatment efficiency.Molecular dynamics (MD) simulations were performed to analyze the statistical adsorption behavior of AAS on Fe3+-Kao surfaces.The simulation results indicate that the mechanism by which Fe3+doping influences the hydrophobic regulation of kaolinite surfaces is due to the enhanced interfacial interactions between the kaolinite surface and AAS,where the interfacial effects are more pronounced on surfaces closer to the dopant sites.The findings of this research offer valuable insights for future studies on other types of lattice defects in clay minerals,as well as for the development of more efficient treatment chemicals for coal slurry water.
Jun Chen、Huanhuan Shang、Yunjia Ling、Feifei Jia、Yali Cheng、Fanfei Mina
展开 >
Department of Materials Science and Engineering,Anhui University of Science and Technology,Huainan 232001,China
Doctorado Institucional de Ingeniería y Ciencia de Materiales,Universidad Autónoma de San Luis Potosí (UASLP),Sierra Leona 530,San Luis Potosí 78210,Mexico
School of Resources and Environmental Engineering,Wuhan University of Technology,Wuhan 430070,China
万方数据
