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Experimental investigation and DFT calculation of different amine/ammonium salts adsorption on kaolinite

Applied Surface Science, ISSN: 0169-4332, Vol: 419, Page: 241-251
2017
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Metrics Details

  • Citations
    74
    • Citation Indexes
      74
  • Captures
    82

Article Description

The adsorption of four different amine/ammonium salts of DDA (Dodecyl amine), MDA ( N -methyldodecyl amine), DMDA ( N, N -dimethyldodecyl amine) and DTAC (Dodecyl trimethyl ammonium chloride) on kaolinite particles was investigated in the study through the measurement of contact angles, zeta potentials, aggregation observation, adsorption and sedimentation. The results show that different amine/ammonium salts can adsorb on the kaolinite surface to enhance the hydrophobicity and reduce the electronegativity of kaolinite particle surface, and thus induce a strong hydrophobic aggregation of kaolinite particles which promotes the settlement of kaolinite. To explore the adsorption mechanism of these four amine/ammonium salts on kaolinite surfaces, the adsorptions of DDA +, MDA +, DMDA + and DTAC + on kaolinite (001) surface and ( 001¯ ) surface are calculated with DFT (Density functional theory). The DFT calculation results indicate that different amine/ammonium cations can strongly adsorbed on kaolinite (001) surface and ( 001¯ ) surface by forming N H⋯O strong hydrogen bonds or C H⋯O weak hydrogen bonds, and there are strongly electrostatic attractions between different amine/ammonium cations and kaolinite surfaces. The main adsorption mechanism of amine/ammonium cations on kaolinite is hydrogen-bond interaction and electrostatic attraction.

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