(457d) Evaluation of Predictive Capabilities for Pyrotechnics Using Different Thermodynamic Software Packages(INVITED)

Thermodynamic codes play a valuable role in the downselection of the constituents of energetic systems.  This is particularly true for thermite and other systems in which the ratio of fuel to oxidizer can be greatly varied and are not contained within the same molecule.  If the correct code is used properly, it becomes a very important tool in identifying material systems with key thermophysical properties.  Having knowledge of these properties will, in turn, reduce the time and number of experiments necessary to reach the desired endpoint because it will enable one to focus on higher-value materials.

This study explores the use of PEP2100, CHEETAH 6.0 and HSC Chemistry software packages to predict the adiabatic reaction temperature, enthalpy, and product species of various illuminant as well as nanothermite reacting systems.  The predicted thermochemical data are compared with experimental observations and correlated to other characteristics that cannot be predicted using computational software, such as light output and color ratio.