Simulation and experimental study of intercalation of urea in kaolinite

Gábor Rutkai, Éva Makó, Tamás Kristóf

Research output: Contribution to journalArticle

49 Citations (Scopus)

Abstract

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 and 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 that develop between the layers of kaolinite.

Original languageEnglish
Pages (from-to)65-69
Number of pages5
JournalJournal of colloid and interface science
Volume334
Issue number1
DOIs
Publication statusPublished - Jun 1 2009

Keywords

  • Intercalation
  • Kaolinite
  • Mechanochemical treatment
  • Molecular simulation
  • Urea

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Biomaterials
  • Surfaces, Coatings and Films
  • Colloid and Surface Chemistry

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