Module code: CFS7026-B
This module will provide you with specialist knowledge in the principles and application of XRD and thermal analysis. This covers: sample preparation, instrumental fundamentals and design, including case studies related to applications in specialist areas and recent advances.
The specialist knowledge is reinforced by the 'hands on' practical component and will include use of the analytical centre instruments, collecting and analysing data, troubleshooting and method development/enhancement. The practical sessions will also involve following written experimental protocols, working in a small group, and working to deadlines.
X-Ray Diffraction:
Module introduction. X-Ray Health and Safety. X-Ray crystallography: powder and single crystal, techniques in data collection; revision of basic crystallography and symmetry; systematic absences and space group determination; structure factors; the phase problem; direct methods for structure solution; techniques in refinement; disorder; molecular symmetry; analysis of molecular dimensions; crystal packing and non-bonded interactions. X-Ray and electron diffraction techniques, reciprocal lattice, crystal chemistry, crystal structure-property relationships. Phase identification with databases; X-Ray fluorimetry.
Thermal Analysis:
Module introduction. Thermal methods: overview of techniques: TGA, DTA/DSC, DVS and DMA (and other thermal methods in use). Principles and detailed theory for TGA and DSC including instrumentation, experimental considerations/method development (eg heating rates and their effect on data), calibration and sample preparation.
Advanced thermal techniques: (1) Modulated Temperature DSC (MTDSC) and (2) Simultaneous thermal analysis and hyphenation of additional analytical probes (i) STA, (ii) TGA-Evolved Gas Analysis (mass spectrometry and FTIR) (iii) DSC-FTIR, DSC-Raman, DSC-XRD (iv) Hot-stage microscopy.
Applications of thermal analysis exemplifying all of the above in areas of pharmaceutical and materials analysis.