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 develop and apply 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, including the Air Force Research Laboratory radiation and flow code, SOCRATES-P co-developed at SSI, enabling accurate end-to-end (combustion chamber to far field plume) simulation of low thrust plume signatures. In Phase I, we will develop and demonstrate two innovative techniques that will form the core of a new computational chemistry toolkit called DIVERT (Direct-dynamics Information for Very Energetic Reaction Trajectories) targeting low thrust chemistry. We will demonstrate the proof-of-concept through application of the method to key chemical mechanisms, integrate the results into SOCRATES-P, and validate them against field and laboratory data. In Phase II, experiments will be performed characterizing engine exhaust, the new modeling methods will be applied to all critical chemical reactions, and a wide-range of validation studies will be performed.