Thermal Stability of RP-2 as a Function of Composition: The Effect of Linear, Branched, and Cyclic Alkanes

Widegren, Jason A.; Bruno, Thomas J.

doi:10.1021/ef401677g

Cited by 12 publications

(5 citation statements)

References 32 publications

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“…1 wt % heavy components. Conversion was defined as the mass decrease of the THTCPD part relative to the mass of the original THTCPD part and calculated by the following equation: ,− ,, where m 0 is the mass of feed fuel, m 1 is the mass of liquid residual, and w 0 i and w 1 i are the corresponding mass fractions of component i in the THTCPD part.…”

Section: Methodsmentioning

confidence: 99%

See 1 more Smart Citation

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

Guo

Wang

et al. 2016

Energy Fuels

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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.

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Section: Methodsmentioning

confidence: 99%

mentioning

confidence: 99%

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

Guo

Wang

et al. 2016

Energy Fuels

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“…The results can be explained from the following aspects. Cycloalkanes are usually more stable than corresponding linear alkanes due to the expected high stability of cyclohexane rings . So, n -dodecane is less stable than the cyclic alkanes.…”

Section: Resultsmentioning

confidence: 99%

“…Cycloalkanes are usually more stable than corresponding linear alkanes due to the expected high stability of cyclohexane rings. 24 So, n-dodecane is less stable than the cyclic alkanes. The C−C bond connecting the two cyclohexyl rings in bicyclohexyl molecule is easily broken, while the C−C bond in the rings of decalin is relatively stable.…”

Section: Rate Constants and Activation Energymentioning

confidence: 99%

Thermal Decomposition Kinetics and Mechanism of 1,1′-Bicyclohexyl

Yue

Qin

et al. 2014

Energy Fuels

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Thermal decomposition of 1,1′-bicyclohexyl, a potential surrogate component of high-density hydrocarbon fuels, was performed in a batch-type reactor to investigate its thermal stability. A first-order kinetic equation is supposed to correlate the decomposition process, and the apparent rate constants, ranging from 0.0223 h −1 at 683 K to 0.1979 h −1 at 713 K, are determined. The Arrhenius parameters are determined with the pre-exponential factor A = 6.22 × 10 20 h −1 and the activation energy E a = 293 kJ·mol −1 . Compared with four typical hydrocarbon compounds, the thermal stability trend is observed in the order of n-dodecane ≈ 1,3,5-triisopropylcyclohexane > bicyclohexyl > n-propylcyclohexane > decalin. Cyclohexane and cyclohexene are found to be the primary products due to the relatively low energy of the C−C bond connecting the two cyclohexyl rings. Bicyclohexyl decomposes into cyclohexane and cyclohexene equivalently at the beginning of the reaction. A probable mechanism on the basis of quantum calculation and GC-MS analyses for the decomposition of bicyclohexyl is proposed to explain the product distribution. It is shown that the formation of decomposition products is mainly obtained through hydrogen transfer, β-scission, isomerization, or dehydrogenation.

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“…The conversion of THTCPD was defined as follows: ,− The overall conversion of JP-10/THTCPD was defined as follows: where m l and m 0 were the mass of liquid phase and feed fuel during the same time, respectively. w li and w 0 i were the THTCPD mass fraction of liquid phase and feed fuel, respectively.…”

Section: Methodsmentioning

confidence: 99%

High-Pressure Thermal Decomposition of Tetrahydrotricyclopentadiene (THTCPD) and Binary High-Density Hydrocarbon Fuels of JP-10/THTCPD in a Tubular Flowing Reactor

et al. 2017

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High-pressure thermal decomposition of tetrahydrotricyclopentadiene (THTCPD) and binary high-density hydrocarbon fuels of JP-10/THTCPD were investigated at 500−660 °C and 4.0 MPa in an electrically heated tubular reactor. The decomposition of THTCPD under high temperature, high pressure, and low residence time was conducted to analyze their effects on the products. The experimental results of JP-10/THTCPD pyrolysis show that the THTCPD pyrolysis is greatly easier than the thermal cracking of JP-10, and the addition of JP-10 can significantly promote the THTCPD pyrolysis, which is evidenced by the fact that THTCPD conversion increases up to 80% at 660 °C when blended with 50% JP-10. It may be ascribed to possible reason about the pathway and mechanism of JP-10/THTCPD pyrolysis is that the free radicals generated by the decomposition of THTCPD help to promote the decomposition of JP-10 via H-abstraction reactions. Correspondingly, a large number of new free radicals generated from the JP-10 pyrolysis could also react with JP-10 and THTCPD, which is helpful to promote the decomposition of THTCPD via H-abstraction reaction. Besides, the contribution of THTCPD to JP-10 could also explained by the chemical equilibrium point of view, since JP-10 is one of the products of THTCPD. Meanwhile, the thermal isomerization pathways of THTCPD are also slightly changed in the presence of JP-10. Our experiments could provide necessary information for the potential applications of THTCPD fuels in advanced aircraft.

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Thermal Stability of RP-2 as a Function of Composition: The Effect of Linear, Branched, and Cyclic Alkanes

Cited by 12 publications

References 32 publications

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

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

Thermal Decomposition Kinetics and Mechanism of 1,1′-Bicyclohexyl

High-Pressure Thermal Decomposition of Tetrahydrotricyclopentadiene (THTCPD) and Binary High-Density Hydrocarbon Fuels of JP-10/THTCPD in a Tubular Flowing Reactor

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