Chemical Physics Letters, Vol.670, 95-101, 2017
Quantum spectral rototranslational collision-induced absorption (CIA) in CO2 and CO2-Rg pairs (Rg = He, Ar and Xe): An insightful analysis based on new empirical multi-property isotropic intermolecular potentials
The rototranslational collision-induced absorption (CIA) of carbon dioxide CO2 and of carbon dioxide with inert gas mixtures CO2-He, CO2-Ar and CO2-Xe at different temperature are analyzed in terms of new isotropic intermolecular potentials and multipole-induced dipole function models, using quantum spectral lineshape computations. The irreducible spherical form for the induced operator of light absorption mechanisms was determined. The quality of the present potentials have been checked by comparing between calculated and experimental thermo-physical and transport properties over a wide temperature range. Quite a good agreement is observed for all carbon dioxide noble gas mixtures. (C) 2016 Elsevier B.V. All rights reserved.