TY - JOUR
T1 - Modified complex Robert-Bonamy calculations of line shape parameters and their temperature dependence for water vapor in collision with N2
AU - Vispoel, Bastien
AU - Cavalcanti, João H.
AU - Gamache, Robert
N1 - Funding Information:
The authors are pleased to acknowledge support of this research by the National Science Foundation through Grant No. AGS-1622676 . Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.
Publisher Copyright:
© 2019
Copyright:
Copyright 2019 Elsevier B.V., All rights reserved.
PY - 2019/5/1
Y1 - 2019/5/1
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85062272264&partnerID=8YFLogxK
U2 - 10.1016/j.jqsrt.2019.02.023
DO - 10.1016/j.jqsrt.2019.02.023
M3 - Article
SN - 0022-4073
VL - 228
SP - 79
EP - 89
JO - Journal of Quantitative Spectroscopy and Radiative Transfer
JF - Journal of Quantitative Spectroscopy and Radiative Transfer
ER -