Journal
JOURNAL OF COLLOID AND INTERFACE SCIENCE
Volume 334, Issue 1, Pages 65-69Publisher
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jcis.2009.03.022
Keywords
Kaolinite; Intercalation; Urea; Molecular simulation; Mechanochemical treatment
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Funding
- Hungarian Scientific Research Fund [K63322, K62175]
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Experimental measurements and molecular simulations were used to describe the characteristics of the kaolinite/urea intercalation compound. The intercalation compound was synthesized by a mechanochemical method ant examined by X-ray diffraction and thermogravimetry. Additionally, a series of NpT(constant particle number-pressure-temperature) simulations was performed to identify thermodynamically stable basal spacings. From the simulations the most probable molecular orientations were determined for single and double layered arrangements of urea molecules Chat develop between the layers of kaolinite. (c) 2009 Elsevier Inc. All rights reserved.
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