Chemical kinetics study in rarefied Martian atmosphere using quantum kinetics model

Abstract

An open-source chemistry model based on Quantum-Kinetics (QK) is presented for the direct simulation Monte Carlo method. Chemistry modeling for the Martian atmosphere under rarefied re-entry conditions is analyzed in this study. An eight-species (CO2, N2, CO, O2, NO, C, N, and O) chemistry model is used to simulate the chemical reactions in the Martian environment. The QK model is based on the vibrational relaxation process of the molecule. A vibrational relaxation procedure for more than one vibrational mode is implemented to simulate various reactions in polyatomic molecules such as CO2. The reaction rates are validated with previous data based on the total collision energy model of Boyd and Arrhenius rates, as well as with the experimental data. The reaction rates obtained in this work are found to be in very good agreement with the previous results for near-equilibrium and non-equilibrium conditions.