Journal
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER
Volume 111, Issue 10, Pages 1328-1343Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.jqsrt.2010.01.032
Keywords
Methane; Nitrogen; Infrared spectroscopy; Line broadening coefficients
Categories
Funding
- LEFE-CHAT French National Program
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We report semiclassical line broadening calculations for methane perturbed by nitrogen at room temperature For this, we have developed a symmetrized version of the Robert and Bonamy theory. The interaction potential was built from electrostatic (octopole and hexadecapole for methane, quadrupole for nitrogen) and atom-atom contributions. The relative (classical) trajectories of the molecules were computed in the frame of the usual parabolic model, through analytical formula High orders of developments had to be used for the short range molecular interactions. As a consequence, a combination of symbolic computation and source code generation was employed to implement practical calculations. We have compared our calculations to the most recent experimental data available in the nu(4) band, the nu(3) band and the octad spectral region of methane (C) 2010 Elsevier Ltd All rights reserved.
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