Location University of New South Wales, School of Chemistry
App. deadline 21/07/2018
  • Scholarship available
Eligibility Open to international applicants

Quantitative Modelling of High Temperature Spectrum of Oxygen (O2)

Oxygen (O2) is one of the most ubiquitous and important molecules on Earth today; both life and combustion rely on its presence. However, while the room temperature spectrum of oxygen is well understood, the spectrum at higher temperatures is not. Extensive high temperature line lists (set of frequencies and intensities of all transitions) produced by high level theoretical techniques utilising all existing experimental data have proved extremely valuable for other molecular species (CO2, H2O, NH3); the production of a similar list for O2 is this project's primary goal. However, O2 raises significant, novel and interesting scientific and technical challenges due to oxygen's complex electronic structure and the fact that all infrared and visible transitions are forbidden by electric dipole, with only weak quadrupole or magnetic dipole transitions allowed. The resulting hot O2 line list will be made widely available to assist in understanding combustion and other high temperature gas environments.

This project will utilise quantum chemistry techniques (both electronic structure theory and nuclear motion calculations), including application of existing methodologies and some new methodology development. There will be significant molecular science and spectroscopy. 

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Further Information / Application Enquiries

Dr Laura Mckemmish