Surrogate Definition and Chemical Kinetic Modeling for Two Different Jet Aviation Fuels

Jin, Yu; Wang, Zijun; Zhuo, Xiaofang; Wang, Wei; Gou, Xiaolong

doi:10.1021/acs.energyfuels.5b02414

Cited by 20 publications

(23 citation statements)

References 46 publications

(125 reference statements)

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“…In recent years, the oxidation of Jet A-1 as well as Jet A were studied by many researchers by using few-component surrogate fuels [2,3,5,[11][12][13], including flame studies, low-temperature oxidation, and high pressure combustion investigations. A few studies of RP-3 fuel were also reported including reduced combustion kinetic models [6,[14][15][16][17][18][19][20].…”

Section: Introductionmentioning

confidence: 99%

Combustion study of a surrogate jet fuel

Liu

Richter

Naumann

et al. 2019

Combustion and Flame

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The oxidation of a three-component surrogate jet fuel (consisting of n-dodecane 66.2%, n-propylbenzene 15.8% and 1,3,5-trimethylcyclohexane 18.0%, in mol) was studied experimentally and numerically within a wide range of temperature, fuel equivalence ratio, and pressure. Three different experimental setups were exploited, here a jet stirred reactor (JSR), a shock tube, and a laminar burner referring to measured data of species profiles (φ = 2.0, T = 575-1100 K, p = 1 bar), ignition delay times (φ = 1.0, p = 16 atm, T = 700-1500 K), and burning velocities (T= 473 K, p = 1atm, φ = 0.6-2.0). Based on the experimental measurements, an updated detailed chemical-kinetic mechanism involving 401 species and 2838 reactions was developed, for a more detailed understanding of the oxidation and combustion of the surrogate fuel. In addition, quantum chemical methods have been applied for the determination of important initiation reactions by using the Gaussian and ChemRate software. In general, the predictions obtained with the mechanism developed in this work show a reasonable, often good agreement with respect to the measured mol fraction profiles (JSR), ignition delay time data (shock tube), and burning velocities data (flame). A negative temperature coefficient (NTC) behavior was observed in the JSR and shock tube experiments, due to the long-chain alkanes, here n-dodecane. The NTC effect was successfully predicted by the reaction model, with the predictions matching the measurements well. From the JSR experiments, 1-octene, 2-propenylbenzene, and propene were detected by GC and GC-MS as major intermediates within the oxidation of the surrogate. According to rate-of-production analysis

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Section: Introductionmentioning

confidence: 99%

Combustion study of a surrogate jet fuel

Liu

Richter

Naumann

et al. 2019

Combustion and Flame

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“…There has been significant research carried out to develop suitable surrogates for gasoline [3][4][5][6][7][8][9][10][11][12], diesel [13][14][15][16][17], jet fuel [18][19][20][21][22][23], biodiesel [24][25][26][27][28], and even heavy fuel oils [29]. One of the common approaches in formulating surrogates for gasolines is to match the chemical reactivity of the target fuel at certain standard conditions with primary reference fuels (PRFs), i.e., mixtures of iso-octane (2,2,4-trimethylpentane) and n-heptane [30].…”

Section: Introductionmentioning

confidence: 99%

A minimalist functional group (MFG) approach for surrogate fuel formulation

Jameel

Issayev

Touitou

et al. 2018

Combustion and Flame

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et al. (2018) A minimalist functional group (MFG) approach for surrogate fuel formulation. Combustion and Flame 192: 250-271. Available: http://dx. AbstractSurrogate fuel formulation has drawn significant interest due to its relevance towards understanding combustion properties of complex fuel mixtures. In this work, we present a novel approach for surrogate fuel formulation by matching target fuel functional groups, while minimizing the number of surrogate species. Five key functional groups; paraffinic CH3, paraffinic CH2, paraffinic CH, naphthenic CH-CH2 and aromatic C-CH groups in addition to structural information provided by the Branching Index (BI) were chosen as matching targets. Surrogates were developed for six FACE (Fuels for Advanced Combustion Engines) gasoline target fuels, namely FACE A, C, F, G, I and J. The five functional groups present in the fuels were qualitatively and quantitatively identified using high resolution 1 H Nuclear Magnetic Resonance (NMR) spectroscopy. A further constraint was imposed in limiting the number of surrogate components to a maximum of two. This simplifies the process of surrogate formulation, facilitates surrogate testing, and significantly reduces the size and time involved in developing chemical kinetic models by reducing the number of thermochemical and kinetic parameters requiring estimation.Fewer species also reduces the computational expenses involved in simulating combustion in practical devices. The proposed surrogate formulation methodology is denoted as the Minimalist Functional Group (MFG) approach. The MFG surrogates were experimentally tested against their target fuels using Ignition Delay Times (IDT) measured in an Ignition Quality Tester (IQT), as specified by the standard ASTM D6890 methodology, and in a Rapid Compression Machine [Type text] 2 (RCM). Threshold Sooting Index (TSI) and Smoke Point (SP) measurements were also performed to determine the sooting propensities of the surrogates and target fuels. The results showed that MFG surrogates were able to reproduce the aforementioned combustion properties of the target FACE gasolines across a wide range of conditions. The present MFG approach supports existing literature demonstrating that key functional groups are responsible for the occurrence of complex combustion properties. The functional group approach offers a method of understanding the combustion properties of complex mixtures in a manner which is independent, yet complementary, to detailed chemical kinetic models. The MFG approach may be readily extended to formulate surrogates for other complex fuels.

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“…As it was mentioned, the corresponding autoignition temperatures of unburned gas were measured assuming that the unburned gas mixture was compressed isentropically. While development of the chemical kinetics mechanism of GTL fuel is in its initial stage, there are several mechanisms that can predict GTL combustion characteristics such as laminar burning speed and ignition delay time [21,23,39,40]. These mechanisms are summarized in Table 2.…”

Section: Resultsmentioning

confidence: 99%

“…As shown in the table, in terms of computational time which is proportional to number of species and reactions, Dooley et al mechanism [23] is the most expensive mechanism due to the larger number of species, and Yu et al mechanism [40] is the least expensive mechanism. All three surrogates of iso-octane, n-decane, and n-dodecane are included in Naik et al [21], Dooley et al [23], and Ranzi et al [39] mechanisms except Yu et al mechanism [40] which only has two surrogates of 2,5-dimethylhexane (one of the octane's isomers) and n-dodecane. The above proposed composition of 32% isooctane, 25% n-decane, and 43% n-dodecane is applicable for the first three mechanisms in Table 2.…”

Section: Resultsmentioning

confidence: 99%

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Auto-Ignition Characteristics Study of Gas-to-Liquid Fuel at High Pressures and Low Temperatures

Askari

Elia

Ferrari

et al. 2016

Journal of Energy Resources Technology

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Onset of auto-ignition of premixed gas-to-liquid (GTL)/air mixture has been determined at high pressures and low temperatures over a wide range of equivalence ratios. The GTL fuel used in this study was provided by Air Force Research Laboratory (AFRL), designated by Syntroleum S-8, which is derived from natural gas via the Fischer–Tropsch (F–T) process. A blend of 32% iso-octane, 25% n-decane, and 43% n-dodecane is employed as the surrogates of GTL fuel for chemical kinetics study. A spherical chamber, which can withstand high pressures up to 400 atm and can be heated up to 500 K, was used to collect pressure rise data, due to combustion, to determine the onset of auto-ignition. A gas chromatograph (GC) system working in conjunction with specialized heated lines was used to verify the filling process. A liquid supply manifold was used to allow the fuel to enter and evaporate in a temperature-controlled portion of the manifold using two cartridge heaters. An accurate high-temperature pressure transducer was used to measure the partial pressure of the vaporized fuel. Pressure rise due to combustion process was collected using a high-speed pressure sensor and was stored in a local desktop via a data acquisition system. Measurements for the onset of auto-ignition were done in the spherical chamber for different equivalence ratios of 0.8–1.2 and different initial pressures of 8.6, 10, and 12 atm at initial temperature of 450 K. Critical pressures and temperatures of GTL/air mixture at which auto-ignition takes place have been identified by detecting aggressive oscillation of pressure data during the spontaneous combustion process throughout the unburned gas mixture. To interpret the auto-ignition conditions effectively, several available chemical kinetics mechanisms were used in modeling auto-ignition of GTL/air mixtures. For low-temperature mixtures, it was shown that auto-ignition of GTL fuel is a strong function of unburned gas temperature, and propensity of auto-ignition was increased as initial temperature and pressure increased.

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Surrogate Definition and Chemical Kinetic Modeling for Two Different Jet Aviation Fuels

Cited by 20 publications

References 46 publications

Combustion study of a surrogate jet fuel

Combustion study of a surrogate jet fuel

A minimalist functional group (MFG) approach for surrogate fuel formulation

Auto-Ignition Characteristics Study of Gas-to-Liquid Fuel at High Pressures and Low Temperatures

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