Investigations on thermal oxidation of high energy-density tetrahydrotricyclopentadiene fuel

Tetrahydrotricyclopentadiene (THTCPD) is a new high energy–density fuel with a density of 1.05 g·cm -3 and a volumetric net heat of combustion of 44.7 MJ·L -1 , which has an excellent potential for actual use. Thermal oxidation of hydrocarbon fuel is a key issue in application, however, the oxidation performance of THTCPD has not yet been studied. In this work, a comprehensive investigation was conducted for the first time on the thermal oxidation of synthesized THTCPD fuel, including oxidation stability, mechanism and inhibition. The experimental and theoretical results show that the oxidation stability of THTCPD mainly depends on its lowest C−H bond dissociation enthalpy, and the oxidation initially occurs on the symmetrical secondary carbon atoms of the five-membered ring in the molecule, primarily triggered by the cleavage of C−H bonds. In addition, phenolic antioxidants can significantly inhibit the thermal oxidation of THTCPD. Among them, butyl hydroxy anisole exhibits the most effective performance, which can enhance the oxidation stability of THTCPD to be comparable to that of other typical fuels. This work presents a thorough perspective on the thermal oxidation of THTCPD fuel, which is beneficial for its specific application and offers guidance for future research on high energy–density fuels.