Densities and Viscosities of Binary Mixtures of JP-10 with <i>n</i>-Octane or <i>n</i>-Decane at Several Temperatures

Yang, Fengjun; Guo, Yihang; Xing, Yan; Li, Dan; Fang, Wenjun; Lin, Ruisen

doi:10.1021/je800348s

Cited by 38 publications

(22 citation statements)

References 16 publications

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“…The single-component hydrocarbon fuel Jet Propellant-10 (JP-10) is used in detonation engines, missiles, and supersonic combustion ramjets, where a fuel is required to have high thermal stability, high-energy density, and low freezing point. Because of its broad applications, the principal constituent of JP-10, tricyclo[5.2.1.0 , ]decane ( exo -tetrahydrodicyclopentadiene; exo -TCD; C 10 H 16 ; Figure ), has attracted significant attention of researchers, and numerous experimental, theoretical, and modeling studies of its pyrolysis and combustion have been reported in the literature. − A detailed overview on the JP-10 studies was provided in our recent publication, and here we only briefly reiterate its key points.…”

Section: Introductionmentioning

confidence: 99%

A Theoretical Study of Pyrolysis of exo-Tetrahydrodicyclopentadiene and Its Primary and Secondary Unimolecular Decomposition Products

2018

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Theoretical calculations of the rate constants and product branching ratios in the pyrolysis of exo-tetrahydrodicyclopentadiene (JP-10) and its initial decomposition products at combustion-relevant pressures and temperatures were performed and compared to the experimental results from the recently reported molecular beam photoionization mass spectrometry study of the pyrolysis of JP-10 ( Zhao et al. Phys. Chem. Chem. Phys. 2017 , 19 , 15780 - 15807 ). The results allow us to quantitatively assess the decomposition mechanisms of JP-10 by a direct comparison with the nascent product distribution-including radicals and thermally labile closed-shell species-detected in the short-residence-time molecular beam photoionization mass spectrometry experiment. In accord with the experimental data, the major products predicted by the theoretical modeling include methyl radical (CH), acetylene (CH), vinyl radical (CH), ethyl radical (CH), ethylene (CH), allyl radical (CH), 1,3-butadiene (CH), cyclopentadienyl radical (CH), cyclopentadiene (CH), cyclopentenyl radical (CH), cyclopentene (CH), fulvene (CH), benzene (CH), toluene (CH), and 5-methylene-1,3-cyclohexadiene (CH). We found that ethylene, allyl radical, cyclopentadiene, and cyclopentenyl radical are significant products at all combustion-relevant conditions, whereas the relative yields of the other products depend on temperature. The most significant temperature trends predicted are increasing yields of the C2 and C4 species and decreasing yields of the C1, C6, and C7 groups with increasing temperature. The calculated pressure effect on the rate constant for the decomposition of JP-10 via initial C-H bond cleavages becomes significant at temperatures above 1500 K. The initially produced radicals will react away to form closed-shell molecules, such as ethylene, propene, cyclopentadiene, cyclopentene, fulvene, and benzene, which were observed as the predominant fragments in the long-residence-time experiment. The calculated rate constants and product branching ratios should prove useful to improve the existing kinetic models for the JP-10 pyrolysis.

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Section: Introductionmentioning

confidence: 99%

A Theoretical Study of Pyrolysis of exo-Tetrahydrodicyclopentadiene and Its Primary and Secondary Unimolecular Decomposition Products

2018

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“…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.…”

Section: Introductionmentioning

confidence: 99%

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

Liu

Bai

et al. 2017

J. Chem. Eng. Data

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New experimental solubility data of nitrogen, oxygen, and carbon dioxide in JP-10 (exotetrahydrodicyclopentadiene) in the temperature range from 293 to 343 K in the intervals of 10 K and in the pressure range from 0.5 to 7.5 MPa were reported. The relative expanded uncertainty of solubility measurement is estimated to be less than 4% with a level of confidence of 95%. The solubility order of the three gases in JP-10 in the studied temperature and pressure range is carbon dioxide > oxygen > nitrogen. The Henry’s constants and the thermodynamic properties of solvation were calculated from the solubility data. A modified KK equation was used to represent the experimental data with AARD less than 1.9%.

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“…Our group [12][13][14][15][16][17][18][19] has performed fundamental research on the thermal oxidation stability, physical properties, and catalytic cracking of JP-10 under different conditions. The experimental results we obtained indicate that the predominant hydrocarbon products of catalytic cracking are methane, ethane, ethene, propane, and propylene in the gaseous phase, and benzene, indene, naphthalene, and their homologs in the liquid phase.…”

Section: Introductionmentioning

confidence: 99%

A DFT study on the thermal cracking of JP-10

et al. 2013

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Density functional theory (DFT) calculations have been carried out to investigate the thermal cracking pathways of JP-10, a high energy density hydrocarbon fuel. Thermal cracking mechanisms are proposed, as supported by our previous experimental results (Xing et al. in Ind Eng Chem Res 47:10034-10040, 2008). Using DFT calculations, the potential energy profiles of the possible thermal cracking pathways for all of the diradicals obtained from homolytic C-C bond cleavage of JP-10 were derived and are presented here. The products of the different thermal cracking pathways are in good agreement with our previous experimental observations.

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Densities and Viscosities of Binary Mixtures of JP-10 with n-Octane or n-Decane at Several Temperatures

Cited by 38 publications

References 16 publications

A Theoretical Study of Pyrolysis of exo-Tetrahydrodicyclopentadiene and Its Primary and Secondary Unimolecular Decomposition Products

A Theoretical Study of Pyrolysis of exo-Tetrahydrodicyclopentadiene and Its Primary and Secondary Unimolecular Decomposition Products

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

A DFT study on the thermal cracking of JP-10

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