Modelling High Resolution Absorption Spectra with ExoMolLine Lists: NH3and CH4

E. J. Barton, S. N. Yurchenko, J. Tennyson, S. Clausen, A. Fateev

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Abstract

The conditions, chemical reactions and gas mixing in industrial progresses involving gasification or combustion can be monitored by in situ measurement of gas temperature and gas composition. This can be done spectroscopically, though the result is highly dependent on the quality of reference data [1].
For this reason, a smart collaboration has been established between Optical Diagnostics Group at DTU and ExoMol, to combine high resolution spectra measured at elevated temperatures and empirically tuned ab initio methods to produce suitable molecular line lists for modelling molecules in combustion or gasification processes.
Original languageEnglish
Publication date2015
Number of pages1
Publication statusPublished - 2015
Event24th Colloquium on High Resolution Molecular Spectroscopy - Université de Bourgogne, Dijon, France
Duration: 24 Aug 201528 Aug 2015

Conference

Conference24th Colloquium on High Resolution Molecular Spectroscopy
LocationUniversité de Bourgogne
CountryFrance
CityDijon
Period24/08/201528/08/2015

Cite this

Barton, E. J., Yurchenko, S. N., Tennyson, J., Clausen, S., & Fateev, A. (2015). Modelling High Resolution Absorption Spectra with ExoMolLine Lists: NH3and CH4. Poster session presented at 24th Colloquium on High Resolution Molecular Spectroscopy, Dijon, France.