Ab initio quantum-chemistry database for N2 (v, J) + N in a state-to-state implementation of the DSMC method

Abstract

In this work, the implementation within DSMC of a coarse-grain model for nitrogen is presented. The main contribution of this thesis is the development of a methodology by which a detailed state-to-state reaction mechanism for internal energy exchange and molecular dissociation can be reduced to a manageable size and incorporated into a DSMC code. The feasibility of using this model to simulate problems with realistic 2D/3D geometries and conditions relevant for atmospheric entry applications is demonstrated.