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- W2471367029 abstract "To investigate the dispersion mechanism of sodium hexametaphosphate on kaolinite particles, we simulated the interaction between linear polyphosphate chains and kaolinite AlOH terminated surface by molecular dynamics, as well as the interaction between the [HPO4]2− anion and kaolinite AlOH surface by density functional theory (DFT). The calculated results demonstrate that hexametaphosphate can be adsorbed by the kaolinite AlOH surface. The oxygen atoms of hexametaphosphate anions may receive many electrons from the AlOH surface and form hydrogen bonds with the hydrogen atoms of surface hydroxyl groups. Moreover, electrostatic force dominates the interactions between hexametaphosphate anions and kaolinite AlOH surface. Therefore, after the adsorption of hexametaphosphate on kaolinite AlOH surface, the kaolinite particles carry more negative charge and the electrostatic repulsion between particles increases. In addition, the adsorption of −[PO3]m− species on the AlOH surface should be more stable than the adsorption of −[HPO3]m− species." @default.
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- W2471367029 date "2016-11-01" @default.
- W2471367029 modified "2023-09-30" @default.
- W2471367029 title "Interactions between kaolinite Al OH surface and sodium hexametaphosphate" @default.
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- W2471367029 doi "https://doi.org/10.1016/j.apsusc.2016.07.002" @default.
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