Heavy-Impact Vibrational Excitation and Dissociation Processes in CO$_2$

作者: Bruno Lopez , Mário Lino da Silva , João Vargas

DOI:

关键词: Harmonic oscillatorFirst order perturbationPhysicsExcited stateTriplet stateAtomic physicsExcitationShock tubeKinetic energyDissociation (chemistry)

摘要: A heavy-impact vibrational excitation and dissociation model for CO$_2$ is presented. This state-to-state based on the Forced Harmonic Oscillator (FHO) theory which more accurate than current state of art kinetic models First Order Perturbation Theory. The first excited triplet $^{3}$B$_{2}$ CO$_2$, including its structure, considered in our model, a consistent approach to also proposed. benchmarked against few academic 0D cases compared decomposition time measurements shock tube. Our shown have reasonable predictive capabilities, $+$ O $\leftrightarrow$ CO O$_2$ found key influence dynamics shocked flows, warranting further theoretical studies. We conclude this study with discussion improvements that are still required analysis discussing concept chaos possible application CO$_2$. necessity experimental works calibrate such discussed, proposed roadmap novel experiments flows.

参考文章(86)
V. D. Rusanov, A. A. Fridman, G. V. Sholin, Vibrational Kinetics and Reactions of Polyatomic Molecules in Nonequilibrium Systems Nonequilibrium Vibrational Kinetics. Series: Topics in Current Physics. ,vol. 39, pp. 295- 314 ,(1986) , 10.1007/978-3-642-48615-9_10
Michele Aresta, Angela Dibenedetto, Eugenio Quaranta, Michele Aresta, Angela Dibenedetto, Eugenio Quaranta, The carbon dioxide molecule Journal of Molecular Spectroscopy. ,vol. 76, pp. 430- 491 ,(1979) , 10.1016/0022-2852(79)90236-4
VV Nevdakh, LN Orlov, NS Leshenyuk, Temperature Dependence of the Vibrational Relaxation Rate Constants of CO 2 (00 0 1) in Binary Mixtures Journal of Applied Spectroscopy. ,vol. 70, pp. 276- 284 ,(2003) , 10.1023/A:1023829621093
K. G. P. Sulzmann, B. F. Myers, E. R. Bartle, CO Oxidation. I. Induction Period Preceding CO2 Formation in Shock‐Heated CO–O2–Ar Mixtures Journal of Chemical Physics. ,vol. 42, pp. 3969- 3979 ,(1965) , 10.1063/1.1695869
Igor V. Adamovich, Sergey O. Macheret, J.William Rich, Charles E. Treanor, Vibrational relaxation and dissociation behind shock waves. Part 1 - Kinetic rate models. AIAA Journal. ,vol. 33, pp. 1064- 1069 ,(1995) , 10.2514/3.12528
RAYMOND L. TAYLOR, STEVEN BITTERMAN, Survey of Vibrational Relaxation Data for Processes Important in the C O 2 - N 2 Laser System Reviews of Modern Physics. ,vol. 41, pp. 26- 47 ,(1969) , 10.1103/REVMODPHYS.41.26
M. Lino da Silva, V. Guerra, J. Loureiro, State-Resolved Dissociation Rates for Extremely Nonequilibrium Atmospheric Entries Journal of Thermophysics and Heat Transfer. ,vol. 21, pp. 40- 49 ,(2007) , 10.2514/1.24114
Der-Yan Hwang, Alexander M. Mebel, Ab initio study of spin-forbidden unimolecular decomposition of carbon dioxide Chemical Physics. ,vol. 256, pp. 169- 176 ,(2000) , 10.1016/S0301-0104(00)00108-7
T. C. Clark, S. H. Garnett, G. B. Kistiakowsky, Exchange Reaction of 18O Atoms with CO2 and with SO2 in Shock Waves The Journal of Chemical Physics. ,vol. 52, pp. 4692- 4698 ,(1970) , 10.1063/1.1673701