JP-10 (exo-tetrahydrodicyclopentadiene) is an important fuel in military applications, particularly in the development of air-breathing propulsion systems. One the main advantages of JP-10 as a fuel is its high volumetric energy density; it also offers low freezing point and good heat transfer properties. Significant ongoing research is focused on the development of ramjet, scramjet and pulse detonation engines that burn JP-10 fuel. JP-10 is “simpler” than other jet propulsion fuels in that it is essentially a single-component fuel. A detailed model of the complex chemical kinetics of JP-10 combustion and pyrolysis was constructed with the help of RMG, an open-source reaction mechanism generation software package. Automated mechanism generation helped circumvent the challenges associated with the large size of the mechanism. Novel features including on-the-fly quantum calculations and ring-straining corrections, were used to estimate the thermodynamics of the relevant polycyclic derivatives. This project highlights the current capabilities of computer-based kinetic model generation (particularly in RMG) as well as opportunities for further research.
- Gao, C.W., Vandeputte, A.G., Yee, N.W., Bonomi, R.E., Magoon, G.R., Wong, H., Oluwole, O.O., Lewis, D.K., Vandewiele, N.M., Van Geem, K.M., Green, W.H., JP-10 combustion studied with shock tube experiments and modeled with automatic reaction mechanism generation, Combustion and Flame 162(8) , 3115-3129 (2015). Link
- Vandewiele, N.M., Magoon, G.R., Van Geem, K.M., Reyniers, M.-F., Green, W.H., Marin, G.B., Kinetic modeling of jet propellant-10 pyrolysis, Energy and Fuels (2014). Link
- Vandewiele, N.M., Magoon, G.R., Van Geem, K.M., Reyniers, M.-F., Green, W.H., Marin, G.B., Experimental and modeling study on the thermal decomposition of jet propellant-10, Energy and Fuels 28(8) , 4976-4985 (2014). Link
- Magoon, G.R., Aguilera-Iparraguirre, J., Green, W.H., Lutz, J.J., Piecuch, P., Wong, H.-W., Oluwole, O.O., Detailed chemical kinetic modeling of JP-10 (exo- tetrahydrodicyclopentadiene) high-temperature oxidation: Exploring the role of biradical species in initial decomposition steps, International Journal of Chemical Kinetics 44(3) , 179-193 (2012). Link