Line broadening coefficient calculations for methane perturbed by nitrogen
Creators
- 1. Laboratoire Interdisciplinaire Carnot de Bourgogne, UMR CNRS 5209, Universite de Bourgogne, 9 Av. A. Savary, BP 47870, F-21078 Dijon (France)
Description
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 ν4 band, the ν3 band and the octad spectral region of methane.
Availability note (English)
Available from http://dx.doi.org/10.1016/j.jqsrt.2010.01.032Additional details
Identifiers
- DOI
- 10.1016/j.jqsrt.2010.01.032;
- PII
- S0022-4073(10)00055-5;
Publishing Information
- Journal Title
- Journal of Quantitative Spectroscopy and Radiative Transfer
- Journal Volume
- 111
- Journal Issue
- 10
- Journal Page Range
- p. 1328-1343
- ISSN
- 0022-4073
- CODEN
- JQSRAE
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 44001043
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ABSORPTION SPECTROSCOPY; COMPUTERIZED SIMULATION; INFRARED SPECTRA; INTERACTIONS; LINE BROADENING; METHANE; MOLECULES; NITROGEN; PERTURBATION THEORY; SEMICLASSICAL APPROXIMATION; TEMPERATURE RANGE 0273-0400 K
- Descriptors DEC
- ALKANES; APPROXIMATIONS; CALCULATION METHODS; ELEMENTS; HYDROCARBONS; NONMETALS; ORGANIC COMPOUNDS; SIMULATION; SPECTRA; SPECTROSCOPY; TEMPERATURE RANGE
Optional Information
- Copyright
- Copyright (c) 2010 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.