Investigations into JP-10 combustion chemistry thus far can be characterized as preliminary. The detailed chemical kinetic mechanisms that have been published are limited in their ability to reproduce experimental data. The combustion chemistry of JP-10 is highly complex, involving hundreds if not thousands of species and thousands of chemical reactions. A detailed kinetic model capable of predicting ignition delay, heat release, and species concentrations is an important step toward understanding more complex, multidimensional phenomena such as flame-holding and extinction behavior in ramjet and scramjet applications. The proposed Phase II project will complete the development of a pressure dependent, detailed chemical kinetic mechanism for combustion and pyrolysis of JP-10 started in the Phase I project. The comprehensive mechanism will be validated against literature data and new data generated in Phase II. The mechanism will be in Chemkin format and will include thermodynamic and transport properties for all species. The mechanism will be derived from fundamental thermochemical principles using high-level quantum chemistry calculations, without extensive tuning to match data. Adjustments to rate parameters will be limited to the uncertainties of the methods used to obtain them. Transport properties of individual species will be developed from quantum chemistry and group additivity calculations.
Benefit: Computer modeling will play a vital role in the continuing development of ramjet, scramjet and pulse detonation engine technology. Simulations provide detailed information that can''t be easily duplicated experimentally and provide information on quantities that are extremely difficult to measure. Compared to building and testing prototypes, modeling can reduce the schedule and cost of the design cycle and allow evaluating innovative concepts quickly and inexpensively. JP-10 is an important fuel for these applications. However, the chemical kinetic mechanisms for JP-10 combustion that are currently available do not accurately model the combustion processes involved. The detailed chemical kinetic mechanism for JP-10 pyrolysis and oxidation developed in this project will be of great value to engineers and scientists in the ramjet, scramjet and pulse detonation engine communities and will be the basis of future reduced mechanisms for CFD implementation. REI uses modeling as an integral part of our consulting services to customers in the power generation, mineral process, chemical process, incineration and aerospace industries. Experience has taught us that robust chemical kinetic mechanisms that accurately describe a combustion process are critical to making good use of simulations to improve equipment design.
Keywords: Chemical Kinetics, Combustion, Pulse Detonation Engine, Unmanned Aerospace Vehicle, JP-10, Pyrolysis, Ramjet, scramjet
