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Line mixing calculation in the nu6 Q-branches of N2-broadened CH3Br at low temperatures

By Laura Gomez, Ha Tran and David Jacquemart

Abstract

International audienceIn an early study [Tran H, Jacquemart D, Mandin JY, Lacome N, JQSRT 2008;109:119-31], line mixing effects of the 6 band of methyl bromide were observed and modeled at room temperature. In the present work, line mixing effects have been considered at low temperatures using state-to-state collisional rates which were modeled by a fitting law based on the energy gap and a few fitting parameters. To validate the model, several spectra of methyl bromide perturbed by nitrogen have been recorded at various temperatures (205-299K) and pressures (230-825 hPa). Comparisons between measured spectra and calculations using both direct calculation from relaxation operator and Rosenkranz profile have been performed showing improvement compared to the usual Lorentz profile. Note that the temperature dependence of the spectroscopic parameters has been taken into account using results of previous studies

Topics: science direct, [ CHIM.THEO ] Chemical Sciences/Theoretical and/or physical chemistry
Publisher: Elsevier
Year: 2009
DOI identifier: 10.1016/j.jms.2008.12.008
OAI identifier: oai:HAL:hal-00745956v1
Provided by: Hal-Diderot

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