New insights into the molecular structures, compositions, and cation distributions in synthetic and natural montmorillonite clays

Sylvian Cadars*, Régis Guégan, Mounesha N. Garaga, Xavier Bourrat, Lydie Le Forestier, Franck Fayon, Tan Vu Huynh, Teddy Allier, Zalfa Nour, Dominique Massiot

*この研究の対応する著者

研究成果: Article査読

65 被引用数 (Scopus)

抄録

We present a detailed investigation of the molecular structure of montmorillonite, an aluminosilicate clay with important applications in materials sciences, such as for catalysis, drug delivery, or as a waste barrier. Solid-state 29Si, 27Al, 25Mg, and 1H nuclear magnetic resonance (NMR) measurements combined with density functional theory (DFT) calculations provide a comprehensive picture of the local structure and composition of a synthetic clay and its naturally occurring analogue. A revised composition is proposed based on NMR results that allow the identification and quantification of the signatures of otherwise undetectable noncrystalline impurities, thus largely complementing the traditional elemental analyses. Solid-state 1H NMR at fast magic-angle spinning (MAS) and high magnetic field provide quantitative information on intra- and interlayer local environments that are crucial for the determination of the amount of Mg/Al substitution within the octahedral layer. In combination with DFT calculations of energies, it suggests that pairs of adjacent Mg atoms are unfavorable, leading to a nonrandom cationic distribution within the layers.

本文言語English
ページ(範囲)4376-4389
ページ数14
ジャーナルChemistry of Materials
24
22
DOI
出版ステータスPublished - 2012 11 27
外部発表はい

ASJC Scopus subject areas

  • 化学 (全般)
  • 化学工学(全般)
  • 材料化学

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