Enhanced Computational Toolbox Including Multiquantum Vibration-Translation (VT) & Vibration-Electronic (VE) Exchanges, Dissociation and Radiation Effects. Deliverable 4.

摘要

This document is the Final Technical Report for the PETTT Special Project BY09-012SP, Enhanced Computational Toolbox Including Multiquantum Vibration-Translation (VT) & Vibration-Electronic (VE) Exchanges, Dissociation and Radiation Effects. This project involved producing a computational toolbox for implementation of master equation based on detailed state-to-state (STS) kinetics. A toolbox has been developed to account for Vibration-translation (VT), Vibration-Electronic (VE), radiative transitions and state specific dissociation, based on nitrogen molecules (and atoms). The deliverable is in a modular form which can be interfaced with other related codes at AFRL to improve their prediction capabilities for accurate design and analysis of hypersonic vehicle trajectories. Accurate simulation of space vehicle trajectories requires high fidelity computational tools capable of describing complex multiphysics and nonequilibrium phenomena (present in the flow fields) especially due to translational, rotational, vibrational, ionization, dissociation, recombination and radiative modes. This toolbox facilitates the users to investigate and identify the dominant physical/chemical/electronic/other mechanisms particular to a problem and rapidly implement and evaluate new models as required. Using operator splitting algorithms, separate code modules for treatment of flow and treatment of STS kinetics were created. The code module for treatment of state-to-state kinetics may also be used as a standalone code for study of spatially homogenous (or zero-dimensional) flows, for a range of flow parameters. The enhanced toolbox is the primary project deliverable.