Coarse grain model for energy transfer and dissociation

Recent work in the aerothermodynamics community has focused on the development of reduced-order non-equilibrium models which avoid the conventional assumptions found in multi-temperature models, and the prohibitive cost of State-to-State (StS) models. The objective of this work is to present and validate a framework for constructing a reduced order model by coupling the coarse grain model for model reduction with scattering calculations using the Quasi-Classical Trajectory method. The resulting Maximum-Entropy Quasi-Classical Trajectory (ME-QCT) framework provides a general technique for determining the kinetic data required for the coarse grain model, using a grouping scheme and order of reconstruction as the only model parameters. Validation of the ME-QCT method with a system with known StS kinetics confirms the ME-QCT method as an alternative approach to constructing reduced order models while highlighting the drawbacks of constructing reduced order models using endothermic kinetic data.