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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 121, 2023 - Issue 5
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Research Article

Thermodynamic properties of diatomic CO, CN, C2 and CO+ in CO2-N2 plasmas

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Article: e2188974 | Received 07 Feb 2023, Accepted 04 Mar 2023, Published online: 15 Mar 2023
 

Abstract

The reliable data of plasma thermodynamic properties are of vital significance for aerodynamic modelling and plasma dynamics simulation. In this work, we have thoroughly evaluated the thermodynamic properties of diatomic CO, CN, C2 and CO+ by making use of a more rigorous approach. The internal energy levels were precisely determined by solving rotational dependence of the radial Schrödinger equation over a set of potential curves. The RKR method was used to generate the low-lying potential curves, while the ab initio results reported by the recent publications were selected for the potential curves of high-lying states. More electronic states were considered in this work than in previous publications, which helps to make the calculated results more accurate at high temperatures. The predicted results were verified by the available values in the recent studies and the relative deviations were systematically evaluated. The maximum relative difference of the equilibrium partition function is less than 7.7% for all species and not larger than 15.3% for equilibrium dimensionless specific heat.

GRAPHICAL ABSTRACT

Disclosure statement

No potential conflict of interest was reported by the author(s).

Additional information

Funding

This work was supported by the National Natural Science Foundation of China (NNSFC) (Nos. 51421063, 62001340 and 61627901) and the Fundamental Research Funds for the Central Universities (No. JB211311).

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