Thermal Decomposition and Kinetics of a High-Energy-Density Hydrocarbon Fuel: Tetrahydrotricyclopentadiene (THTCPD)

Abstract

Thermal decomposition of tetrahydrotricyclopentadiene (THTCPD, C 15 H 22 ), a high-energy-density hydrocarbon fuel, was conducted in a batch reactor at 385−425 °C to investigate its kinetics and decomposition products. The reaction activation energy and pre-exponential coefficient were established as 248.5 kJ mol −1 and 1.5 × 10 15 s −1 , respectively. The detailed analysis of the decomposition products indicated that THTCPD was first cracked into ethylene, C 5 (1,3-cyclopentadiene, cyclopentene, and cyclopentane), benzene, and C 10 (JP-10 and its isomers) and then to form secondary products. The possible primary mechanism was that the cleavage of the C−C bond of THTCPD produced diradicals, which were further converted into monoradicals through intermolecular hydrogen abstraction, and then the monoradicals generated primary products through βscission, isomerization, and intermolecular hydrogen abstraction reactions. Possible secondary decomposition of primary products (C 10 and C 5 species) may form small molecules (C 1 −C 4 species, methyl-and ethyl-cyclopentane, etc.), while some bimolecular reactions of C 5 species may form naphthalene and 2,3-dihydro-4-methyl-1H-indene. This study may provide possible fundamental experimental information and kinetics for the potential application of THTCPD fuel.

Measurement and Correlation of the Solubilities of Oxygen, Nitrogen, and Carbon Dioxide in JP-10

“…It is a candidate fuel for supersonic aircraft and hypersonic missile. A large amount work have been put into investigating the thermophysical properties of JP-10 including density, viscosity, heat capacity, vapor pressure, and speed of sound, etc. − as well as its thermal and chemical stability − which is necessary for its application.…”

Kinetic Investigations of the CH (X2Π) Radical Reaction with Cyclopentadiene

“…Likewise, the combustion of many synthetically produced high-energy-density hydrocarbon fuels (HEDHFs), appealing for their efficiency in energy output and decrease in required volume, yield similar products. The thermal decomposition investigations of one such synthetic fuel, tetrahydrotricyclopentadiene (C 10 H 16 ), generates cyclopentadiene and benzene as major products. , Despite the advancements in studying alternative fuel sources, the roles of first hydrocarbon rings like cyclopentadiene and benzene remains persistent.…”

“…The thermal decomposition investigations of one such synthetic fuel, tetrahydrotricyclopentadiene (C 10 H 16 ), generates cyclopentadiene and benzene as major products. 85,86 Despite the advancements in studying alternative fuel sources, the roles of first hydrocarbon rings like cyclopentadiene and benzene remains persistent.…”

Synthesis and Performance of Strained Multicyclic Hydrocarbons as Highly Potential High-Energy-Density Fuels

“…Advanced aerospace vehicles featured with high flight speed, long flight range, and heavy payload require advanced fuels to provide sufficient propulsion . The design and synthesis of high-energy-density fuels are attracting intensive interest because they can provide more propulsion power. − Generally, high-energy-density fuels are difficult to obtain from petroleum refineries and must be synthesized by chemical reactions. Conventional fuels are synthesized with five- or six-membered cyclic hydrocarbons, such as RJ-4, − JP-10, − RJ-5, RJ-7, ,, and spiro fuels, ,, whose density is significantly higher than that of alkanes with the same carbon number.…”

“…The design and synthesis of high-energy-density fuels are attracting intensive interest because they can provide more propulsion power. − Generally, high-energy-density fuels are difficult to obtain from petroleum refineries and must be synthesized by chemical reactions. Conventional fuels are synthesized with five- or six-membered cyclic hydrocarbons, such as RJ-4, − JP-10, − RJ-5, RJ-7, ,, and spiro fuels, ,, whose density is significantly higher than that of alkanes with the same carbon number. However, the gravimetric net heat of combustion (NHOC) of five- or six-membered cyclic hydrocarbons decreases with the increase of density because of the increased C/H ratio, , which partly counterparts the benefit of increased density and suppresses the further increase of volumetric net heat of combustion (VHOC).…”