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

Abstract

Modified Complex Robert-Bonamy (MCRB) calculations of the half-width, line shift, and their temperature dependence were made for the H2O-N2 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 ν2 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 ν2 bands, respectively. A file of the final results is available as supplemental data and the corresponding author's website.