For thermodynamic data to be of use, the samples used to generate the data must be well characterized both compositionally and structurally. These instruments are used primarily by members of the Thermochemistry Group for specialized studies and are not available routine sample characterization that can be done elsewhere on campus.
INEL x-ray diffractometer, operated jointly with S.M. Kauzlarich (Professor of Chemistry), has a position-sensitive detector (PSD) covering 120°. A variety of sample holders (flat plate, capillary, rotating for both reflective and transmission modes, and a holder for air sensitive samples) are available. A heating stage (30° to 1200° C) is also available. Complete diffraction patterns can be obtained in 1 to 10 minutes.
Bruker D8 Advance x-ray diffractometer with a variety of interchangable components. The instrument’s capabilities include rapid analysis for qualitative phase identification includeing samples that fluoresce in copper radiation, high resolution data for lattice parameter and Riedtveld analysis and small angle scattering data for particle size analysis. The parallel geometry configuration allows irregular sample surfaces to be analyzed.
A wide range of software for processing and analyzing diffraction data, (JADE, TOPAS3, EVA, WINDIF, GSAS, and others), and major crystallographic databases (PDF, ICSD, and CCDC) are available. There is also software to simulate diffraction patterns and to visualize crystal models (jPWD and CrystalMaker) and to optimize crystal structures (Material Studio and Cerius 2 molecular modeling packages).
A Bruker Equinox 55 FTIR spectrometer for mid- and near-IR range analysis. Transmission and reflective sample holders are available as well as a gas cell.
A Cirrus 2 quadrapole mass spectrometer for identifying gaseous products.
Three Micromeritics ASAP2020 gas sorption analyzers for determining surface area, porosity, pore size and pore distributions of zeolites and nanomaterials.