TY - JOUR
T1 - Effect of humidity on the absorption continua of CO2 and N2 near 4 μ m
T2 - Calculations, comparisons with measurements, and consequences for atmospheric spectra
AU - Hartmann, Jean Michel
AU - Boulet, Christian
AU - Tran, Duc Dung
AU - Tran, Ha
AU - Baranov, Yury
N1 - Publisher Copyright:
© 2018 Author(s).
PY - 2018/2/7
Y1 - 2018/2/7
N2 - We present a theoretical study of the effects of collisions with water vapor molecules on the absorption, around 4 μm, in both the high frequency wing of the CO2 ν3 band and the collision-induced fundamental band of N2. Calculations are made for the very first time, showing that predictions based on classical molecular dynamics simulations enable, without adjustment of any parameter, very satisfactory agreement with the few available experimental determinations. This opens the route for a future study in which accurate temperature-dependent (semi-empirical) models will be built and checked through comparisons between computed and measured atmospheric spectra. This is of interest since, as demonstrated by simulations, neglecting the humidity of air can lead to significant modifications of the atmospheric transmission (and thus also emission) between 2000 and 2800 cm-1.
AB - We present a theoretical study of the effects of collisions with water vapor molecules on the absorption, around 4 μm, in both the high frequency wing of the CO2 ν3 band and the collision-induced fundamental band of N2. Calculations are made for the very first time, showing that predictions based on classical molecular dynamics simulations enable, without adjustment of any parameter, very satisfactory agreement with the few available experimental determinations. This opens the route for a future study in which accurate temperature-dependent (semi-empirical) models will be built and checked through comparisons between computed and measured atmospheric spectra. This is of interest since, as demonstrated by simulations, neglecting the humidity of air can lead to significant modifications of the atmospheric transmission (and thus also emission) between 2000 and 2800 cm-1.
U2 - 10.1063/1.5019994
DO - 10.1063/1.5019994
M3 - Article
C2 - 29421910
AN - SCOPUS:85041831892
SN - 0021-9606
VL - 148
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 5
M1 - 054304
ER -