Thermal Cracking of JP-10 under Pressure

Xing, Yan; Fang, Wenjun; Xie, Wenjie; Guo, Yihang; Lin, Ruisen

doi:10.1021/ie801128f

Cited by 85 publications

(74 citation statements)

References 12 publications

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“…4), starting from the radical 1_1, the C6-C7 bond is directly dissociated via the transition state TS 1 to give a cyclopentane radical and cyclopentene. This result is consistent with our experimental observations that cyclopentane and cyclopentene are found in the product component analysis [29]. Table 1 The relative energies (REs, in kcal mol −1 ) of the seven possible diradicals of JP-10 shown in Fig.…”

Section: Possible Thermal Cracking Pathways For Diradical R_1supporting

confidence: 90%

“…From 2_7, another hydrogen atom transfer takes place to form the C4-centered radical 2_8, with a barrier of 37.5 kcal mol −1 . Finally, the C2-C3 bond breaks to give propene and radical 2_4, and the latter radical can further form toluene, which has been found in the experimental products [29]. For path d , the overall barrier from 2_6 to TS 5 is predicted to be 52.9 kcal mol −1 .…”

Section: Possible Thermal Cracking Pathways For Diradical R_2mentioning

confidence: 61%

“…In 5_5, the C5-C6 bond breaks and C7-C10 bond dissociation then occurs, resulting in the radical 5_7. A second hydrogen atom transfer occurs to give 5_8, which can finally form the toluene found in the thermal cracking experiments [29]. The overall barrier from 5_5 to TS 4 is calculated to be 57.2 kcal mol −1 , slightly lower than that of path g (61.8 kcal mol −1 from 5_1 to TS 2 ).…”

Section: Possible Thermal Cracking Pathways For Diradical R_3mentioning

confidence: 85%

“…The overall barrier from 4_1 to TS 2 is calculated to be 56.5 kcal mol −1 . Then a third hydrogen atom transfer takes place, followed by C9-C1 bond dissociation, to yield 1-methylcyclopentadiene (4_5 ), which was found in experimental products [29].…”

Section: Possible Thermal Cracking Pathways For Diradical R_3mentioning

confidence: 89%

“…Our group [29] has investigated the thermal cracking of JP-10 in a batch reactor under different pressures. The gaseous and liquid components were determined quantitatively by gas chromatography and gas chromatography-mass spectrometry, respectively.…”

Section: Introductionmentioning

confidence: 99%

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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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Section: Possible Thermal Cracking Pathways For Diradical R_1supporting

confidence: 90%

Section: Possible Thermal Cracking Pathways For Diradical R_2mentioning

confidence: 61%

Section: Possible Thermal Cracking Pathways For Diradical R_3mentioning

confidence: 85%

Section: Possible Thermal Cracking Pathways For Diradical R_3mentioning

confidence: 89%

Section: Introductionmentioning

confidence: 99%

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A DFT study on the thermal cracking of JP-10

et al. 2013

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Waste to Wealth Approach: Customizing Spent LiB Anodes to High Performance Supercapacitor Electrode

Prakash,

Sandhiya,

Kamarsamam

et al. 2023

Advanced Sustainable Systems

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Lithium‐ion batteries (LiBs) are widely used in various applications because of their high energy density, low self‐discharge rate, and portability. The requirements for LiBs continue to increase drastically every year; however, the disposal of spent LIBs is a cumbersome task. To resolve this issue, spent LiB anodes are customized into high‐performance supercapacitor (SC) electrodes via supercritical water exfoliation. The specific capacitance of spent LiB anodes (289 F g−1 at 2 A g−1) significantly improved after exfoliation (351 F g−1 at 2 A g−1). Furthermore, the electrochemical performance of the exfoliated LiB anode mushroomed upon the addition of dopamine (as a redox‐additive for the first time) with a conventional H2SO4 electrolyte. The specific capacitance of the exfoliated LiB anode is incredibly improved after the addition of dopamine with H2SO4, from 286 to 571 F g−1 at 4 A g−1. A flexible SC is also fabricated using PVA/H2SO4 and dopamine/PVA/H2SO4 as the gel electrolyte. The fabricated flexible SC with dopamine/PVA/H2SO4 exhibited an enormously high energy density of 44 Wh kg−1 at 700 W kg−1. The increased specific capacitance and energy density of the SC after the addition of dopamine with H2SO4 and PVA/H2SO4 may be due to the reversible reaction of dopamine to dopamine‐o‐quinone with H+ ions.

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A Comparative Study of the Explosion Characteristics of IPN and IPN/JP‐10 Mixtures in Air Aerosols

Wang

2017

Propellants Explo Pyrotec

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This article presents a comparison of the explosion characteristics of mixtures of isopropyl nitrate (IPN, (CH 3 ) 2 CHONO 2 ) and JP-10 (C 10 H 16 , tricycle [5.2.1.0 2,6 ] decane) in air aerosols. The explosion pressure, flame temperature, maximum rate of pressure rise, maximum rate of temperature rise, and lower flammability limits (LFLs) were measured for two sets of IPN and mixed IPN/JP-10 in air aerosols at different concentrations and Sauter mean diameters (SMDs) of 19 mm and 34 mm, respectively, and the values were compared with the experimental results of JP-10/air aerosols with SMDs of 20 mm and 35 mm (from our previous research). Experiments were also performed to study various concentrations at various ignition energies for the IPN/ air aerosols and the explosions of binary mixture aerosols with various mass ratios of IPN and JP-10. The experimental results indicated that for the IPN/air and JP-10/air aerosols with a mean SMD of~34 mm, the maximum peak pressure and maximum peak temperature of the IPN/air aerosols were greater than those of the JP-10/air aerosols. The maximum rate of pressure rise of the IPN/air aerosols reached a maximum value of 395.3 MPa/s at a mean SMD of~34 mm, and the pressure increased more abruptly in the IPN/air aerosols than in the JP-10/air aerosols. The LFLs of the IPN/air aerosols occurred with a total concentration of 197 g/m 3 at a mean SMD of 19 mm and a total concentration of 233 g/ m 3 at a mean SMD of 34 mm, whereas the LFLs for the JP-10/air aerosols with SMDs of 20 mm and 35 mm were less than 47 g/m 3 and 40 g/m 3 , respectively. The experimental results presented here also showed that the maximum peak pressure was 1.07 MPa at a binary liquid mass ratio of IPN:JP-10 (%) of 72 : 28 and a mean SMD of~34 mm.Keywords: IPN/air and JP-10/air aerosols · Explosion characteristics · Lower flammability limit · Ignition energy · Various mass ratios of binary mixtures 2 3 4 5 6 7 8

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Thermal Cracking of JP-10 under Pressure

Cited by 85 publications

References 12 publications

A DFT study on the thermal cracking of JP-10

A DFT study on the thermal cracking of JP-10

Waste to Wealth Approach: Customizing Spent LiB Anodes to High Performance Supercapacitor Electrode

A Comparative Study of the Explosion Characteristics of IPN and IPN/JP‐10 Mixtures in Air Aerosols

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