Analysis of state-to-state classical rotational cross-sections for Ar–CO2 collisions

Abstract

Classical state-to-state Ar–CO₂ rotational cross-sections are calculated using two potentials. Comparison with experimental data shows that there are discrepancies. The two-dimensional atom-ellipsoid model is used to analyse the cause of these discrepancies, and it is found that the cross-sections are sensitive to multiple collision effects. The results, considering only the contribution of the repulsive part of the two potentials, showed satisfactory agreement with the experimental measurements but, on taking into account the whole potentials, some deviations from the experimental state-to-state rotational cross-sections were observed. These deviations were attributed to the strong contribution from the long-range part of each potential.