Simulation-assisted evidence for the existence of two stable kaolinite/potassium acetate intercalate complexes

Recent molecular simulation findings with several kaolinite intercalate complexes raised the question of the existence of more than one stable state, which has not been confirmed by experimental observations yet. Kaolinite/potassium acetate intercalate complexes were synthesized and examined by X-ray diffraction, and a molecular simulation study was performed for the system. Consistent with the suggestion from the simulations, an additional stable basal spacing was found experimentally at d001 = 1.168 nm besides the well-known one at d001 = 1.403 nm.

Graphical abstractKaolinite/potassium acetate intercalate complexes were examined by XRD and molecular simulation. An additional stable basal spacing was found besides the well-known one.Figure optionsDownload full-size imageDownload high-quality image (66 K)Download as PowerPoint slide