Arrhenius Rate Chemistry Informed Inter-phase Source Terms (ARCIIST) for Macro-Scale Explosive Hydrocodes
Date of Award
Doctor of Philosophy (PhD)
Department of Aeronautics and Astronautics
Robert B. Greendyke, PhD
A critical factor in hydrocodes designed to simulate explosive material is defining the chemical reaction rate under various conditions. This rate determines how quickly the granular solid explosive is converted to its gaseous products. Currently, the state of the art for macro-scale hydrocodes is to use one of numerous burn models. These burn models are designed to estimate the bulk chemical reaction rate. Unfortunately, these burn rate models are largely based on empirical data and must be recalibrated for every new material being simulated. This research proposes that the use of Arrhenius Rate Chemistry Informed Interphase Source Terms (ARCIIST) in place of these burn models will not only reduce the reliance of simulations on empirically derived data but will also improve the accuracy for these computational codes. ARCIIST was tested by incorporating an Arrhenius reacting chemistry model developed for the cyclic-nitramine RDX by the Naval Research Laboratory (NRL) into the Air Force Research Laboratory's (AFRL) Multi-Phase Explosive Simulation (MPEXS) continuum hydrocode. ARCIIST demonstrated a unique ability to capture critical features in the deflagration to detonation transition process which were washed out by the common pressure-dependent burn models sunder the same conditions. Furthermore, ARCIIST has successfully linked micro-scale chemical kinetics to macro-scale hydrodynamics. It is, therefore, a critical piece to connecting predictive theoretical chemical kinetics to system scale simulations with less reliance on empirical data.
DTIC Accession Number
Schwaab, Matthew J., "Arrhenius Rate Chemistry Informed Inter-phase Source Terms (ARCIIST) for Macro-Scale Explosive Hydrocodes" (2018). Theses and Dissertations. 1959.