Modified complex Robert-Bonamy calculations of line shape parameters and their temperature dependence for water vapor in collision with N2

Bastien Vispoel, João H. Cavalcanti, Robert Gamache

Research output: Contribution to journalArticle

Abstract

Modified Complex Robert-Bonamy (MCRB) calculations of the half-width, line shift, and their temperature dependence were made for the H 2 O-N 2 collision system. Several methods, intercomparison of the measured line shape data and the Group of Transitions methods, were tested to select a set of measured half-widths and line shifts with small uncertainty. The atom-atom parameters of the intermolecular potential were refined by matching the MCRB calculation results to those of the selected transitions. Transitions for the rotation and ν 2 bands were selected from the HITRAN2016 database [Gordon et al. JQSRT 203, 3, 2017] and MCRB calculations employing the final intermolecular potential were made for these transitions. The calculations were made at 13 temperatures between 200 and 3000 K and the temperature dependence of the half-width and line shift determined. The MCRB data were compared with the measurement database. The comparison of the half-widths gives average percent differences of 4.71% and −2.74% and the comparison of the line shifts gives average deviations of −0.00166 and −0.000547 cm −1 atm −1 for the rotation and ν 2 bands, respectively. A file of the final results is available as supplemental data and the corresponding author's website.

Original languageEnglish
Pages (from-to)79-89
Number of pages11
JournalJournal of Quantitative Spectroscopy and Radiative Transfer
Volume228
DOIs
Publication statusPublished - 1 May 2019
Externally publishedYes

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