Kinetic Study of Vibrational–Translational and Vibrational–Vibrational Transition Processes in Carbon Dioxide

• Published in: Russian Journal of Physical Chemistry A Vol. 98; no. 7; pp. 1573 - 1583
• Main Authors: Chen, Xue, Cheng, Xinlu
• Format: Journal Article
• Language: English
• Published: Moscow Pleiades Publishing 2024; Springer Nature B.V
• Subjects: Carbon dioxide; Chemistry; Chemistry and Materials Science; Energy transfer; Harmonic oscillators; Physical Chemistry; Structure of Matter and Quantum Chemistry; rate coefficients; carbon dioxide; vibrational–translational transitions; vibrational–vibrational transitions
• ISSN: 0036-0244; 1531-863X
• DOI: 10.1134/S0036024424700596

The rate coefficients of the CO 2 –CO 2 collision energy transfer processes have been studied by employing the forced harmonic oscillator (FHO) model. For the inter-mode vibrational–vibrational (VV m–k ) energy exchange process of CO 2 –CO 2 collisions, a new was applied to obtain the VV m–k rate coefficients. The rate coefficients for vibrational–translational (VT) and intra-mode vibrational–vibrational (VV m ) processes are also calculated for temperatures up to 10 000 K at the same time. This work analyses the relationship between the rate coefficients of the (VV m–k ) and the vibrational quantum number as affected by temperature. Additionally, it has been found that the impact of the bending mode on the rate coefficients is more prominent than that of asymmetric stretching in the VV 1–2–3 transition. And we find that the rate coefficients of the intra-mode transitions are close to each other at low vibrational levels. Moreover, our results are compared with those of various other methods, showing that our method is still quite reliable. These results provide more comprehensive data on the vibrational–translational and vibrational–vibrational energy exchange processes of CO 2 .