Development and validation of a detailed kinetic model for RP-3 aviation fuel based on a surrogate formulated by emulating macroscopic properties and microscopic structure

Mao, Yebing; Yu, Liang; Wang, Sixu; Wu, Zhiyong; Raza, Mohsin; Zhu, Lei; Hu, Xiao-Bing; Lü, Xingcai

doi:10.1016/j.combustflame.2021.111401

Cited by 21 publications

(8 citation statements)

References 48 publications

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“…A multiproperty regression algorithm, taking the features of diesel as the target, is used to optimize the composition ratio to ensure the consistency of the key properties. The objective function of the optimization method is defined as the sum of the squared relative differences of target properties between diesel and the surrogate fuel, as expressed in eq F = ∑ i = 1 8 ( p i c − p i t p i normalt ) 2 where p i c and p i t are the properties of surrogate diesel and actual diesel and i is the index of the target properties. With the calculation, the composition of HXN/HMN/AMN/NBCH was confirmed, and the properties of fuels are shown in Table .…”

Section: Surrogate Fuel Developmentmentioning

confidence: 99%

Development of a Skeletal Mechanism of a Four-Component Diesel Surrogate Fuel Using the Decoupling Method

Sun,

Shi,

et al. 2023

ACS Omega

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Alkylcyclohexanes with a long alkyl chain account for more than 30% of diesel fuel but seldom used in the oxidation mechanism of diesel surrogate fuel due to the lack of a reduced skeletal mechanism. Hence, a fourcomponent diesel surrogate fuel was developed with n-butylcyclohexane (NBCH) as the representative of alkylcyclohexanes with a long alkyl chain in real diesel. The surrogate fuel can reproduce the physicochemical characteristics of real diesel, especially the distillation range. The reduced mechanism of NBCH was developed, and the skeletal mechanism of the surrogate fuel was formulated including 80 species and 251 reactions based on the decoupling method. The mechanism was validated under a wide range of conditions with the experimental results of ignition delay time (IDT), laminar flame speed, and species concentrations of both pure components and diesel. The accuracy of the mechanism on the spray and ignition performance was further validated against the experimental data obtained in a constant volume combustion chamber system. The calculated results showed a satisfactory agreement, in which the maximum error of flame lift-off length is 7.82 mm and that of IDTs is 0.16 ms. It was proven that the mechanism is suitable to reproduce the physicochemical properties of diesel and further predict the diesel spray and ignition performance.

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Section: Surrogate Fuel Developmentmentioning

confidence: 99%

Development of a Skeletal Mechanism of a Four-Component Diesel Surrogate Fuel Using the Decoupling Method

Sun,

Shi,

et al. 2023

ACS Omega

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“…Farsi M [a] 3 1 [158][159][160] Thermal cracking Trans-Alkylation Catalytic reforming Gubaydullim Im [a] 3 4 [161][162][163] Pyrolysis Catalytic reforming Corrosion Lu X [a] 3 1 [164][165][166] Combustion Fuels Activated sludges Wu G [a] 3 3…”

Section: Pyrolysis Of Biomassmentioning

confidence: 99%

Analysis of the Applications of Particle Swarm Optimization and Genetic Algorithms on Reaction Kinetics: A Prospective Study for Advanced Oxidation Processes

et al. 2022

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A bibliometric analysis of the Scopus database was implemented to assess the spread of two types of evolutionary algorithms (EAs), genetic algorithms (GA) and particle swarm optimization (PSO), on the study of reaction kinetics. Particular attention was given to applications for advanced oxidation processes (AOPs). The collaborations between countries and authors, as well as the keywords co‐occurrences, were investigated. Finally, the Gompertz and Logistic Substitution models (LSM) were employed to forecast future scenarios. It was observed that GA methods were the preferred algorithms for reaction kinetic studies, and the USA was the most influential country in terms of collaboration, followed by China. On the other hand, there was still poor collaboration for most countries; this was also observed for authors’ collaboration. In addition, literature concerning AOPs was still scarce. The forecasting suggested growth for implementing evolutionary algorithms, especially for the PSO, increasing its popularity regarding GA methods.

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“…Several studies indicated that alkanes, both n - and iso-alkanes, cycloalkanes, and aromatics are the major components of the aviation fuels certified. − Currently, multi-component surrogate fuels that can reproduce the physical and chemical properties of practical aviation kerosene are commonly used to represent practical jet fuels. − The physical processes of fuel storage, flow, and heating can be modeled using physical characteristics. The chemical reaction processes of fuel cracking, ignition, and combustion can be modeled using chemical properties, including species concentrations, ignition delay time, and laminar flame speed. − Then, a detailed combustion mechanism of the practical fuel is constructed that based on these surrogate fuels …”

Section: Introductionmentioning

confidence: 99%

“…13−15 Then, a detailed combustion mechanism of the practical fuel is constructed that based on these surrogate fuels. 16 Shafer et al 17 summarized the composition of Jet-A, Jet-A1, and JP-8 and pointed out that these three types of aviation kerosene have similar compositions. They are all composed of C 9 −C 16 large hydrocarbons with volume fractions of 20% nalkanes, 40% isoalkanes, 20% cycloalkanes, and 20% aromatics, respectively.…”

Section: Introductionmentioning

confidence: 99%

Development and Validation of Small-Size Mechanism for RP-3 Aviation Fuel with High Precision

Hou

Yang

et al. 2023

ACS Omega

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In this study, a kerosene surrogate model fuel containing 73% ndodecane, 14.7% 1,3,5-trimethylcyclohexane, and 12.3% n-propylbenzene (percentage in mass) is developed by considering both the physical and chemical characteristics of practical aviation kerosene. By combining the small-size C 0 −C 4 (carbon number) core mechanism and the large hydrocarbon submechanisms, a low-and high-temperature chemical kinetic mechanism including 43 species and 136 reactions is constructed for the kerosene surrogate model fuel. The performance of the 43-species mechanism is validated by examining various experimental ignition delay times and laminar flame speeds of single component of n-dodecane and practical kerosene. The predicted main species concentrations during the oxidation process in the jet-stirred reactor by this small-size mechanism exhibit generally acceptable performance with the corresponding experimental data of RP-3 kerosene. The results of brute force sensitivity analysis indicate that the mechanism retains key reaction paths. This relatively small size can be applied to the simulation of computational fluid dynamics to further explore the practical problems of aviation fuel application in engine.

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Development and validation of a detailed kinetic model for RP-3 aviation fuel based on a surrogate formulated by emulating macroscopic properties and microscopic structure

Cited by 21 publications

References 48 publications

Development of a Skeletal Mechanism of a Four-Component Diesel Surrogate Fuel Using the Decoupling Method

Development of a Skeletal Mechanism of a Four-Component Diesel Surrogate Fuel Using the Decoupling Method

Analysis of the Applications of Particle Swarm Optimization and Genetic Algorithms on Reaction Kinetics: A Prospective Study for Advanced Oxidation Processes

Development and Validation of Small-Size Mechanism for RP-3 Aviation Fuel with High Precision

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