Hybrid Reduced Order Model for N2-N2 Interactions for Application to Dissociation and Energy Transfer Processes

Macdonald, Robyn L ; Jaffe, Richard L ; Panesi, Marco

关键词: MATHEMATICAL MODELS;    REDUCED ORDER FILTERS;    NITROGEN;    REACTION KINETICS;    MOLECULAR INTERACTIONS;    MOLECULAR EXCITATION;    MOLECULAR TRAJECTORIES;    ATOMIC EXCITATIONS;    MAXIMUM ENTROPY METHOD;    HEAT OF DISSOCIATION;    TEMPERATURE EFFECTS;    ENERGY TRANSFER;    EXOTHERMIC REACTIONS;    EQUILIBRIUM EQUATIONS;    CHEMICAL EQUILIBRIUM;   

RP-ID  :  ARC-E-DAA-TN61676

学科分类：原子、分子光学和等离子物理

美国|英语

来源: NASA Technical Reports Server

【 摘 要 】

This work presents a general framework for model reduction of non-equilibrium energy transfer and dissociation processes. The multi-group maximum-entropy method is coupled with the quasi-classical trajectory method to directly construct a reduced order model for chemical non-equilibrium. Kinetic data is calculated by applying detailed balance at a microscopic level, overcoming the limitation of calculating recombination kinetic data. This approach enables the construction of a reduced order model for kinetics which bypasses the need to compute state-to-state kinetic data. This physics based reduced order model ensures that an equilibrium distribution is reached given infinite time, while allowing for non-equilibrium distributions during the relaxation and dissociation processes. A proof-of-concept test case demonstrates the applicability of this model by comparison with state-to-state kinetic data for the N2(Chi (sup 1) Sigma ((sub g), (sup plus sign)) minus N ((exp 4) S (sub u)) system with excellent agreement.