Details of Award
NERC Reference : NER/B/S/2002/00335
Resolving cation disorder in pyroxenes with first-principles NMR spectra.
Grant Award
- Principal Investigator:
- Dr M Warren, The University of Manchester, Earth Atmospheric and Env Sciences
- Co-Investigator:
- Professor CJ Pickard, University of Cambridge, Materials Science & Metallurgy
- Grant held at:
- The University of Manchester, Earth Atmospheric and Env Sciences
- Science Area:
- Earth
- Overall Classification:
- Earth
- ENRIs:
- Natural Resource Management
- Global Change
- Environmental Risks and Hazards
- Science Topics:
- Properties Of Earth Materials
- Mantle & Core Processes
- Abstract:
- This project will determine cation ordering behaviour in pyroxene minerals by predicting 29Si nuclear magnetic resonance (NMR) spectra from first principles. Disorder between Mg, Al and Si can be difficult to measure with X-ray diffraction and when Mg/Al and Al/Si ordering is coupled even NMR spectra are hard to interpret. It will concentrate on the solid solution between CaMgSi2O6 (diopside) and CaA12SiO6, the subject of recent debate in the literature. By simulating the NMR spectra of a number of cation configurations, we will produce a more reliable method for interpreting experimental results, determine the state of order from published spectra and enhance the usefulness of these minerals as geobarometers and geothermometers.
- NERC Reference:
- NER/B/S/2002/00335
- Grant Stage:
- Completed
- Scheme:
- Small Grants Pre FEC
- Grant Status:
- Closed
- Programme:
- Small Grants
This grant award has a total value of £7,624
FDAB - Financial Details (Award breakdown by headings)
| Total - T&S | Total - Other Costs |
|---|---|
| £3,583 | £4,041 |
If you need further help, please read the user guide.