Characterizing JP-10 High Temperature Decomposition Chemistry using RMG - An Automatic Reaction Mechanism Generator

Aerodyne Research, Inc. (ARI) and MIT are collaborating to establish the feasibility of fully characterizing the complex chemistry of JP-10 high temperature decomposition, in the presence of oxygen, using a novel automatic reaction mechanism generation tool (RMG) developed at MIT. JP-10 is a very attractive fuel for missile and other air-breathing propulsion applications due to its high energy density. However, JP-10 chemistry remains only partially understood, limiting its successful adoption for these applications. Currently, the biggest gap in published literature is in the chemistry of JP-10 initial decomposition to C5 hydrocarbons, in the presence of oxygen. In Phase I, the ARI/MIT team will apply RMG to develop a detailed reaction mechanism for these initial JP-10 decomposition steps. Our approach bypasses the tedious and error-prone manual model construction processes, enabling us to obtain a more comprehensive reaction mechanism in a more efficient way. Transport properties will also be provided, using group additivity concepts. Phase I results will set the foundation for Phase II when the complete, comprehensive reaction mechanism of JP-10 high temperature decomposition will be established and extensively validated through shock tube experiments. Phase I option will bridge the gap, beginning to explore further decomposition of the C5 species.