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

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• 作者：Baoman Guo ; Ya Wang ; Li Wang ; Xiangwen Zhang ; Guozhu Liu
• 刊名：Energy & Fuels
• 出版年：2016
• 出版时间：January 21, 2016
• 年：2016
• 卷：30
• 期：1
• 页码：230-238
• 全文大小：500K
• ISSN：1520-5029

文摘

Thermal decomposition of tetrahydrotricyclopentadiene (THTCPD, C₁₅H₂₂), 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 × 10¹⁵ s^–1, respectively. The detailed analysis of the decomposition products indicated that THTCPD was first cracked into ethylene, C₅ (1,3-cyclopentadiene, cyclopentene, and cyclopentane), benzene, and C₁₀ (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 β-scission, isomerization, and intermolecular hydrogen abstraction reactions. Possible secondary decomposition of primary products (C₁₀ and C₅ species) may form small molecules (C₁–C₄ species, methyl- and ethyl-cyclopentane, etc.), while some bimolecular reactions of C₅ 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.