Shock tube/laser absorption measurements of the pyrolysis of JP-10 fuel

Johnson, Sarah E.; Davidson, David F.; Hanson, Ronald K.

doi:10.1016/j.combustflame.2019.11.026

Cited by 25 publications

(8 citation statements)

References 29 publications

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“…These studies revealed that the decomposition of JP-10 is initiated by distinct C−H bond cleavages 10,22,24 followed by C−C bond β-scissions via biradical intermediates; these pathways are consistent with the cleavage of strained C−C bonds eventually initiating the unimolecular decomposition of the carbon skeleton of JP-10 (Scheme 2). 24 Zhao et al 10 revealed that R1, R4, R5, and R6 represent favorable channels due to the lower endoergicities of the C−H bond cleavages. 10,22 Overall, the pyrolysis of JP-10 was found to be mostly efficient at temperatures exceeding 873 K due to the high activation energies of at least 397 kJ mol −1 to cleave the carbon−hydrogen bond(s) (Scheme 2).…”

Section: Introductionmentioning

confidence: 79%

“…10,22,23 The majority of these products were reported in a chemical microreactor setup by Zhao et al 10 by exploiting vacuum ultraviolet photoionization detection along with studies by Johnson et al, 24 Pan et al, 25 and Huang et al 26 Electronic structure calculations by Morozov et al 22 provided a theoretical framework of these findings and yielded in-depth mechanistical insights into the feasible pathways, leading to the pyrolysis products of JP-10. These studies revealed that the decomposition of JP-10 is initiated by distinct C−H bond cleavages 10,22,24 followed by C−C bond β-scissions via biradical intermediates; these pathways are consistent with the cleavage of strained C−C bonds eventually initiating the unimolecular decomposition of the carbon skeleton of JP-10 (Scheme 2). 24 Zhao et al 10 revealed that R1, R4, R5, and R6 represent favorable channels due to the lower endoergicities of the C−H bond cleavages.…”

Section: Introductionmentioning

confidence: 99%

“…Over the past decades, researchers exploited a great variety of approaches to study the thermal decomposition and oxidation of JP-10 such as distinct reactor types (flow tube, jet stirred, and batch), ,− shock tubes, ,, and high-temperature chemical reactors (Table ) with identified products compiled in Table S1. ,, The majority of these products were reported in a chemical microreactor setup by Zhao et al by exploiting vacuum ultraviolet photoionization detection along with studies by Johnson et al, Pan et al, and Huang et al Electronic structure calculations by Morozov et al provided a theoretical framework of these findings and yielded in-depth mechanistical insights into the feasible pathways, leading to the pyrolysis products of JP-10. These studies revealed that the decomposition of JP-10 is initiated by distinct C–H bond cleavages ,, followed by C–C bond β-scissions via biradical intermediates; these pathways are consistent with the cleavage of strained C–C bonds eventually initiating the unimolecular decomposition of the carbon skeleton of JP-10 (Scheme ). Zhao et al revealed that R1, R4, R5, and R6 represent favorable channels due to the lower endoergicities of the C–H bond cleavages. , Overall, the pyrolysis of JP-10 was found to be mostly efficient at temperatures exceeding 873 K due to the high activation energies of at least 397 kJ mol –1 to cleave the carbon–hydrogen bond(s) (Scheme ).…”

Section: Introductionmentioning

confidence: 99%

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Catalytic Effects of Zeolite Socony Mobil-5 (ZSM-5) on the Oxidation of Acoustically Levitated exo-Tetrahydrodicyclopentadiene (JP-10) Droplets

et al. 2021

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Jet propulsion 10 (JP-10) droplets with and without aluminum nanoparticles in conjunction with HZSM-5 zeolite and surfactants were ultrasonically levitated, and their oxidation processes were explored to identify how the oxidation process of JP-10 is catalytically affected by the HZSM-5 zeolites and how the surfactant and Al NPs in the system impacted the key experimental parameters of the ignition such as ignition delay time, burn rate, and the maximum temperatures. Singly levitated droplets were ignited using a carbon dioxide laser under an oxygen−argon atmosphere. Pure JP-10 droplets and JP-10 droplets with silicon dioxide of an identical size distribution as the zeolite HZSM-5 did not ignite in strong contrast to HZSM-5-doped droplets. Acidic sites were found to be critical in the ignition of the JP-10. With the addition of the surfactant, the characteristic features of the JP-10 ignition were improved, so the ignition delay time of the zeolite-JP-10 samples were decreased by 2−3 ms and the burn rates were increased by 1.3 to 1.6 × 10 5 K s −1 . The addition of Al NPs increased the maximum temperatures during the combustion of the systems by 300−400 K. Intermediates and end products of the JP-10 oxidation over HZSM-5 were characterized by UV−vis emission and Fourier-transform infrared transmission spectroscopies, revealing key reactive intermediates (OH, CH, C 2 , O 2 , and HCO) along with the H 2 O molecules in highly excited rovibrational states. Overall, this work revealed that acetic sites in HZSM-5 are critical in the catalytic ignition of JP-10 droplets with the addition of the surfactant and Al NPs, enhancing the oxidation process of JP-10 over HZSM-5 zeolites.

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Section: Introductionmentioning

confidence: 79%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Catalytic Effects of Zeolite Socony Mobil-5 (ZSM-5) on the Oxidation of Acoustically Levitated exo-Tetrahydrodicyclopentadiene (JP-10) Droplets

et al. 2021

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“…Jet-stirred and other types of reactors [103] , [104] , [105] , [106] , shock tubes [107] , [108] , [109] , [110] , [111] , [112] , [113] , [114] , [115] , and rapid compression machines (RCMs) [116] , [117] , [118] offer opportunities for mechanistic investigations for fundamental and practically relevant conditions. Different analytic methods have been used to determine important chemical information, including mass spectrometry [104 , 108] , Fourier-transform infrared (FTIR) spectroscopy [103] , gas chromatography (GC) [109] , and laser absorption [107 , [109] , [110] , [111] , [112] , [113] , [114] , also in the mid-infrared spectral region [112] , as well as cavity-enhanced laser absorption spectroscopy (CEAS) [115 , 117] . Great potential for the on-line analysis of chemical composition in highly complex mixtures is also offered by advanced two-dimensional GC techniques with flame ionization or MS detection [119] .…”

Section: Selected Combustion Chemistry Advances – Overview and Recentmentioning

confidence: 99%

“…Great potential for the on-line analysis of chemical composition in highly complex mixtures is also offered by advanced two-dimensional GC techniques with flame ionization or MS detection [119] . The development of laser sensors enables increasingly facile, simultaneous detection and quantification of several species in reactive mixtures, including multi-species detection approaches in shock tubes [110] , [111] , [112] , [113] . As a recent example , Zhang et al [113] have used an integrated heater quantum cascade laser (QCL) with an extended wavelength range to provide mole fraction profiles for methane (CH 4 ) and acetylene (C 2 H 2 ) in shock tube laser experiments.…”

Section: Selected Combustion Chemistry Advances – Overview and Recentmentioning

confidence: 99%

Combustion in the future: The importance of chemistry

Kohse‐Höinghaus

2021

Proceedings of the Combustion Institute

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Combustion involves chemical reactions that are often highly exothermic. Combustion systems utilize the energy of chemical compounds released during this reactive process for transportation, to generate electric power, or to provide heat for various applications. Chemistry and combustion are interlinked in several ways. The outcome of a combustion process in terms of its energy and material balance, regarding the delivery of useful work as well as the generation of harmful emissions, depends sensitively on the molecular nature of the respective fuel. The design of efficient, low-emission combustion processes in compliance with air quality and climate goals suggests a closer inspection of the molecular properties and reactions of conventional, bio-derived, and synthetic fuels. Information about flammability, reaction intensity, and potentially hazardous combustion by-products is important also for safety considerations. Moreover, some of the compounds that serve as fuels can assume important roles in chemical energy storage and conversion. Combustion processes can furthermore be used to synthesize materials with attractive properties. A systematic understanding of the combustion behavior thus demands chemical knowledge. Desirable information includes properties of the thermodynamic states before and after the combustion reactions and relevant details about the dynamic processes that occur during the reactive transformations from the fuel and oxidizer to the products under the given boundary conditions. Combustion systems can be described, tailored, and improved by taking chemical knowledge into account. Combining theory, experiment, model development, simulation, and a systematic analysis of uncertainties enables qualitative or even quantitative predictions for many combustion situations of practical relevance. This article can highlight only a few of the numerous investigations on chemical processes for combustion and combustion-related science and applications, with a main focus on gas-phase reaction systems. It attempts to provide a snapshot of recent progress and a guide to exciting opportunities that drive such research beyond fossil combustion.

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