Unraveling chemical structure of laminar premixed tetralin flames at low pressure with photoionization mass spectrometry and kinetic modeling

Abstract

This work reports an investigation on laminar premixed flames of tetralin at 30 Torr and equivalence ratios of 0.7 and 1.7. Measurements of the chemical structure including identification and mole fraction measurements of free radicals, isomers, and polycyclic aromatic hydrocarbons (PAHs) were performed using synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS). A kinetic model with 296 species and 1 577 reactions was developed and validated against the flame chemical structure data measured in this work. Modeling analysis reveals the key reaction pathways in tetralin decomposition and PAHs formation. The H-atom abstraction reactions by H, O, and OH are found to control the consumption of tetralin in the lean flame, while those by H play the dominant role in the rich flame. Indene and naphthalene have very high concentration levels in the rich tetralin flame due to the existence of direct formation pathways from the decomposition of tetralin. The two bicyclic PAHs and their radicals play significant roles in the PAHs growth process of tetralin combustion, which results in the high sooting tendency of tetralin compared to those of alkylbenzenes with smaller or same carbon atom numbers.

Single-Pulse Shock Tube Experimental and Kinetic Modeling Study on Pyrolysis of a Direct Coal Liquefaction-Derived Jet Fuel and Its Blends with the Traditional RP-3 Jet Fuel

“…Another notable difference is that the acetylene yield from the blend fuel is lower than the other two jet fuels, indicating that the blend jet fuel may have a low soot tendency because acetylene is the key precursor toward soot formation. Figure also explicitly shows that the formation of 1,3-butadiene is larger than the other two fuels, probably due to the large existence of two- and three-ring cycloalkane compounds since the decompositions of these compound tend to form larger alkene molecules. ,, …”

“…Figure 3 also explicitly shows that the formation of 1,3-butadiene is larger than the other two fuels, probably due to the large existence of two-and three-ring cycloalkane compounds since the decompositions of these compound tend to form larger alkene molecules. 28,29,59 4.4. ROP and Sensitivity Analysis.…”

“…12 There have been extensive experimental and kinetic modeling studies on pyrolysis and combustion properties of monocyclic alkanes such as cyclohexane, 17−19 methylcyclohexane, 20,21 ethyl cyclohexane, 22 n-propyl cyclohexane, 23 and nbutyl cyclohexane 24 due to their large amount of existence in traditional gasoline and jet fuels. However, very few studies have been reported on the real DCL-derived jet fuels besides some studies on representative polycyclic alkanes including decalin, 25−27 tetralin, 28,29 and JP-10. 30−32 In addition, the current aviation fuel testing, approval, and airworthiness certification processes limit the usage of the DCL-derived jet fuel as the single fuel in current aeroengines, and the DCLderived jet fuel should also be used by blending with traditional jet fuels.…”

“…There have been extensive experimental and kinetic modeling studies on pyrolysis and combustion properties of monocyclic alkanes such as cyclohexane, − methylcyclohexane, , ethyl cyclohexane, n-propyl cyclohexane, and n -butyl cyclohexane due to their large amount of existence in traditional gasoline and jet fuels. However, very few studies have been reported on the real DCL-derived jet fuels besides some studies on representative polycyclic alkanes including decalin, − tetralin, , and JP-10. − In addition, the current aviation fuel testing, approval, and airworthiness certification processes limit the usage of the DCL-derived jet fuel as the single fuel in current aeroengines, and the DCL-derived jet fuel should also be used by blending with traditional jet fuels. , Hence, experimental and kinetic modeling studies on the DCL-derived jet fuel and its blends with the traditional jet fuel are one of the key procedures toward practical application of the DCL-derived jet fuel. Previously, Yang et al studied the high-temperature ignition properties of the DCL-derived jet fuel and its blend with the traditional RP-3 jet fuel .…”