Because of its suitability for producing kaolinite nanoscrolls, the kaolinite-cetyltrimethylammonium chloride intercalation complex is of interest in the research area of kaolinite nanocomposites. Experimental and molecular simulation analyses are used to investigate this intercalation complex, revealing its real structure formed through partially methoxy-modified kaolinite. Cost-efficient homogenization method is applied to synthesize the eco-friend kaolinite-urea pre-intercalation complex, which was found to be favorable to intercalate cetyltrimethylammonium chloride into the interlayer space of kaolinite. The influence of the pre-intercalated urea molecules, the partial modification of kaolinite structure with methoxy groups, and the presence of methanol molecules in the interlayer space of kaolinite on the intercalation of cetyltrimethylammonium chloride is characterized experimentally by X-ray diffraction, thermal analysis, Fourier transform infrared spectroscopy, and electron microscopy. The kaolinite-cetyltrimethylammonium chloride complex is identified at the basal spacing of 3.82 nm with the chemical formula of Al2Si2O5(OH)3.7(OCH3)0.3(CTAC)1.6(Me)1.6. Our molecular simulations predict methanol-containing structures between methoxy-functionalized kaolinite layers with diffuse guest molecular arrangements.
|Number of pages||9|
|Journal||Colloids and Surfaces A: Physicochemical and Engineering Aspects|
|Publication status||Published - Nov 5 2016|
- Cetyltrimethylammonium chloride
- Molecular simulation
ASJC Scopus subject areas
- Colloid and Surface Chemistry