Modeling of the electronic excited states in high-temperature flows

Abstract

This article introduces a novel model for describing the electronic excited states in the direct simulation Monte Carlo (DSMC) technique. The model involves the coupling the vibrational and electronic modes of molecular species, enabling each electronic excited state to excite its unique vibrational quantum levels. Numerical techniques are developed for equilibrium and post-collision sampling, as well as for measuring the internal temperature. The DSMC results demonstrate excellent agreement with theoretical predictions, providing verification of the successful implementation in a DSMC solver. For important thermophysical properties of molecular oxygen, such as the specific heat capacity, it is shown that the new model provides a better prediction than a compilation of past studies in comparison to the standard uncoupled approach in DSMC. The model is then applied to simulate a canonical nonreactive oxygen hypersonic flow past a cylindrical body. The population distribution of electronic excited states exhibit significant deviation from the standard approach typically used in the coupling between DSMC and radiation transport solvers.