Applying Novel Computational Chemistry Methods to Plume Signature Modeling of Low Thrust Propulsion Systems

Understanding and modeling low thrust systems requires a fundamental understanding of the underlying physics and chemistry, which is not well known. Spectral Sciences, Inc. (SSI) proposes to rectify this critical deficiency by developing end-to-end models based on engine measurements of the near-field signature, laboratory measurements of the critical far-field plume chemistry, and development and application of novel computational chemistry methods to quantify the key chemical processes giving rise to the plume signatures of low thrust systems. These processes will be integrated into the current suite of state-of-the-art propulsion system/plume modeling codes to enable accurate end-to-end (i.e., nozzle flow, near field, and far field plume) simulation of low thrust plume signatures. Prototype chemical modeling software called DIVERT (Direct-dynamics Information for Very Energetic Reaction Trajectories), demonstrated in Phase I, will be generalized and automated in order that it can be applied to generate key cross section and band model data. The resulting cross section and band model data, as well as the near-field data and models, will be used to generate total radiation signatures with SOCRATES-P/FLITES. These signatures will be validated against available field data.