微细蒙脱石颗粒界面疏水改性机理研究<sup>*</sup>

doi:10.11896/j.issn.1005-023X.2017.016.031

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Abstract The adsorption energy, adsorption equilibrium configuration and electron density difference of the molecular forms and ionic forms of methyl primary amine, secondary amine, tertiary amine and quaternary ammonium salt adsorbed on the (001) surface of montmorillonite were simulated by density functional theory (DFT). The transmittance of supernatant of montmorillonite suspension, adsorption amount of surfacant and surface contact angle were measured. The results showed that the adsorption energy of ionic forms of methyl amines on the surface of montmorillonite was much larger than that of molecular form, so the ionic forms could be adsorbed on the surface stably. The adsorption energies of methyl amines on montmorillonite surface was affected by the degree of substitution of methyl group for H atoms on N atom of alkylamine. The larger the degree of substitution, the smaller the adsorption energy, and the poorer the hydrophobicity modification ability of methyl amines for the montmorillonite surface. The methyl amines cations were adsorbed on montmorillonite mainly through electrostatic interaction and hydrogen bonding. The experimental results of the supernatant of the montmorillonite suspension, adsorption amount of surfactant and surface contact angle were consistent with the results of the simulation.

Key words： montmorillonite density functional theory alkylamine hydrophobicity modification

Published: 25 August 2017 Online: 2018-05-07

CLC number:

TB321

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	Articles by authors
	MIN Fanfei
	PENG Chenliang
	LIU Lingyun
	WANG Qingping

Cite this article:

MIN Fanfei,PENG Chenliang,LIU Lingyun, et al. Interfacial Hydrophobicity Modification of Fine Montmorillonite Particles: A Mechanism Study[J]. Materials Reports, 2017, 31(16): 150-155.

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https://www.mater-rep.com/EN/10.11896/j.issn.1005-023X.2017.016.031 OR https://www.mater-rep.com/EN/Y2017/V31/I16/150

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