Heavy Particle Impact Vibrational Excitation and Dissociation Processes in CO<sub>2</sub>

نویسندگان

چکیده

A heavy particle impact vibrational excitation and dissociation model for CO2 is presented. This state-to-state based on the forced harmonic oscillator (FHO) theory, which more accurate than current state-of-the-art kinetic models of first-order perturbation theory. The first excited triplet state 3B2 CO2, including its structure, considered in our model, a consistent approach to also proposed. benchmarked against few academic zero-dimensional (0D) cases compared decomposition time measurements shock tube. Our shown have reasonable predictive capabilities, + O ? CO O2 reaction found key influence dynamics shocked flows, warranting further theoretical studies. We conclude this study with discussion improvements that are still required analysis vibrational/dissociation CO2.

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ژورنال

عنوان ژورنال: Journal of Physical Chemistry A

سال: 2021

ISSN: ['1089-5639', '1520-5215']

DOI: https://doi.org/10.1021/acs.jpca.0c05677