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 d(001)=1.168nm besides the well-known one at d(001)=1.403nm. Copyright 2010 Elsevier Inc. All rights reserved.