High pressure pyrolysis mechanism and kinetics of a strained-caged hydrocarbon fuel quadricyclane

Wang, Hongyan; Gong, Siyuan; Wang, Li; Zhang, Xiangwen; Liu, Guozhu

doi:10.1016/j.fuel.2018.11.084

Cited by 27 publications

(8 citation statements)

References 52 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…For cycloheptadiene, it was first detected with the selectivity higher than 10% at a lower temperature and dropped quickly at a higher temperature. No previous report has elucidated the reaction mechanism except for that of isomerization of 2,5-norbornadiene into 1,3,5-cycloheptatriene . So, it may be reasonable to deduce the cycloheptadiene as the isomerization of 2-norbornene through TCDR4 (eqs and 9).…”

Section: Resultsmentioning

confidence: 99%

“…No previous report has elucidated the reaction mechanism except for that of isomerization of 2,5norbornadiene into 1,3,5-cycloheptatriene. 35 So, it may be reasonable to deduce the cycloheptadiene as the isomerization of 2-norbornene through TCDR4 (eqs 8 and 9). 36 This isomerization of 2-norbornene to form cycloheptadiene rather than directly decomposing into ethene and CPD via the concerted retro-Diels−Alder mechanism (eq 10), as usual, could also be attributed to the supercritical condition to suppress the C−C bond scission and was verified by the concerted CPD trend.…”

Section: Resultsmentioning

confidence: 99%

See 1 more Smart Citation

Supercritical Pyrolysis and Coking of JP-10 in Regenerative Cooling Channels

Pan

Zhang

et al. 2020

Energy Fuels

Self Cite

View full text Add to dashboard Cite

JP-10 is a potential endothermic hydrocarbon fuel (EHF) with a high energy density for the regenerative cooling technology of advanced aircrafts. In this work, pyrolysis and coking of JP-10 were experimentally studied using an electrically heated tube as a flowing reactor under supercritical conditions (4.5 MPa, 550–735 °C). For the supercritical pyrolysis, dicyclopentadiene, exo-TCD4e, and indane/indene were observed with relatively higher selectivity at low conversion, and the selectivities of typical products (ethene, propene, CPD, cyclopentene, and benzene) were lower compared with that under atmospheric pressure, possibly because of the enhanced bimolecular reactions. The heat sink of JP-10 was approximately 2.5 MJ/kg ascribed to the severe coke formation during the pyrolysis. Further characterizations on cokes indicated that the coke in the bulk fluid was about 70–170 times higher than that deposited on the wall, attributed to rapid formation of polycyclic aromatic hydrocarbons (PAHs) of pyrolysis products rather than the wall catalysis.

show abstract

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Supercritical Pyrolysis and Coking of JP-10 in Regenerative Cooling Channels

Pan

Zhang

et al. 2020

Energy Fuels

Self Cite

View full text Add to dashboard Cite

show abstract

“…The detailed introduction of the experimental raw material PMT 22 and the experimental apparatus is referred to in our previous work. 21,22,31,32 Briefly, the tandem microreactor was equally divided into two stages and could be independently temperature-controlled (±1 K), in which the first microreactor was used for sample preheating (set at 623 K), and the second microreactor was used for pyrolysis (set at 773−1023 K). Each microreactor included a stainless-steel reaction tube (o.d.…”

Section: Methodsmentioning

confidence: 99%

“…In addition, the conjugated dienes are also significant products of C 10 H 19 radical ring-opening reactions, such as 1,3butadiene (C 4 H 6 (16), Figure 5e)), 1,3-pentadiene (C 5 H 8 (31), Figure 5f)), 2-methyl-1,3-butadiene (C 5 H 8 (24), Figure 5g)), 4-methyl-1,3-pentadiene (C 6 H 10 (36), Figure 5h)), etc., mainly derived from the H-transfer reaction and β-C−C bond scission reaction after ring-opening. For example, 2-methyl-1,3butadiene can be generated from the C 10 H 19 -R2 radical by ring-opening isomerization (R34) of the C 10 H 19 -2 radical, followed by H-transfer reactions (R35) and β-C−C bond scission (R36) or by C 10 H 19 -3 and C 10 H 19 -R3 radical paths.…”

Section: Consumption Of Initial Radicalsmentioning

confidence: 99%

“…The pyrolysis experiments of PMT were carried out in a tandem microreactor (Rx-3050 TR, Frontier Laboratories, Japan) with the GC-MS/FID (QP2010, Shimadzu) system realizing online detection under a temperature of 773–1023 K and pressure of 0.1 and 2.0 MPa. The detailed introduction of the experimental raw material PMT and the experimental apparatus is referred to in our previous work. ,,, Briefly, the tandem microreactor was equally divided into two stages and could be independently temperature-controlled (±1 K), in which the first microreactor was used for sample preheating (set at 623 K), and the second microreactor was used for pyrolysis (set at 773–1023 K). Each microreactor included a stainless-steel reaction tube (o.d.…”

Section: Experimental Sectionmentioning

confidence: 99%

See 1 more Smart Citation

Experimental and Kinetic Modeling of Biomass Derived Hydrocarbon p-Menthane Pyrolysis

et al. 2020

Self Cite

View full text Add to dashboard Cite

The extensive production of alternative fuels from renewable biomass sources through microbial fermentation has attracted wide attention, which is a large-scale and targeted means to meet various application conditions. As an alternative terpenoid hydrocarbon fuel produced by this renewable means, there is a large application prospect for cycloalkane p-menthane (1-isopropyl-4methylcyclohexane, PMT). In this work, the atmospheric pyrolysis performance of PMT was investigated by the pyrolysis experiment under 773−1023 K in a tandem microreactor and GC-MS/FID online detection system. The emphasis of this work is to comprehensively analyze the pyrolysis mechanism of PMT, with a detailed reaction kinetic model (294 species and 1862 reactions) proposed. Besides, we preliminarily discuss the pressure dependence of PMT pyrolysis between the atmospheric data and newly investigated high-pressure data at the same temperature and residence time. The model well reproduced the experimental product distributions under both of the pressures. It is found that the side chain scission of PMT served as chain initiation reactions including the isopropyl scission and methyl scission, which contribute much to the consumption of PMT according to the sensitivity analysis. Those unimolecular decomposition reactions more easily occur under low pressure and have greater contributions to the fuel consumption. The H-abstraction reaction takes the largest proportion in the consumption paths of PMT benefiting from the massive generation of small groups. The ring-opening reactions of the generated radicals and the subsequent reactions produce a large number of branched alkenes and conjugated dienes, such as 3-methyl-1-butene, 2-methyl-1,3-butadiene, etc. Aromatic products are mainly benzene and toluene, the formation of which is mainly through C5 cyclic and C6 cyclic precursors. This work aims to provide a reference for understanding the pyrolysis behavior of multibranched cycloalkanes and cyclic terpenoids.

show abstract