Cohesive vibrational and structural depiction of intercalated water in montmorillonite

Abstract

The vibrational spectral profiles of Na- and Ca-montmorillonite (MMT) of controlled water layer populations (nW) was extracted by chemometric analysis of new Fourier transform infrared (FTIR) spectroscopy data and validated by mixed-layer modeling of previously published X-ray diffraction data. These efforts resolved FTIR spectral profiles of 0W, 1W, and 2W interlayers, which can now be used to explore the distinct hydration States of MMT. These spectral profiles reflect water populations organized around interlayer cations (Na+, Ca2+), interacting with siloxane groups of the basal face of the interlayer, and with other bound and “free” water molecules. This cohesive description of water-bearing clays provides the link needed to relate vibrational to structural attributes of these geochemically important materials.