Surrogate fuels for RP-3 kerosene formulated by emulating molecular structures, functional groups, physical and chemical properties

Wu, Zhiyong; Mao, Yebing; Raza, Mohsin; Zhu, Jizhen; Feng, Yongming; Wang, Sixu; Qian, Yong; Yu, Liang; Lü, Xingcai

doi:10.1016/j.combustflame.2019.07.024

Cited by 66 publications

(16 citation statements)

References 42 publications

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“…S-8 and Chinese RP-3 jet fuels have a high average carbon number, but their freezing points are as low as − 59.0 °C and − 58.0 °C, respectively, owing to the high concentration of iso-paraffins, i.e. 82.0 wt% for S-8 [22] and 42.7 wt% for RP-3 [23].…”

Section: Relationship Between Freezing Point and Fuel Compositionmentioning

confidence: 99%

Review on the Relationship Between Liquid Aerospace Fuel Composition and Their Physicochemical Properties

Wang

Jia

Pan

et al. 2020

Trans. Tianjin Univ.

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The development of advanced air transportation has raised new demands for high-performance liquid hydrocarbon fuels. However, the measurement of fuel properties is time-consuming, cost-intensive, and limited to the operating conditions. The physicochemical properties of aerospace fuels are directly influenced by chemical composition. Thus, a thorough investigation should be conducted on the inherent relationship between fuel properties and composition for the design and synthesis of high-grade fuels and the prediction of fuel properties in the future. This work summarized the effects of fuel composition and hydrocarbon molecular structure on the fuel physicochemical properties, including density, net heat of combustion (NHOC), low-temperature fluidity (viscosity and freezing point), flash point, and thermal-oxidative stability. Several correlations and predictions of fuel properties from chemical composition were reviewed. Additionally, we correlated the fuel properties with hydrogen/carbon molar ratios (nH/C) and molecular weight (M). The results from the least-square method implicate that the coupling of H/C molar ratio and M is suitable for the estimation of density, NHOC, viscosity and effectiveness for the design, manufacture, and evaluation of aviation hydrocarbon fuels.

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Section: Relationship Between Freezing Point and Fuel Compositionmentioning

confidence: 99%

Review on the Relationship Between Liquid Aerospace Fuel Composition and Their Physicochemical Properties

Wang

Jia

Pan

et al. 2020

Trans. Tianjin Univ.

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“…To understand how various butylbenzene isomers influence physical properties of mixtures, this study measured the density, viscosity, speed of sound, surface tension, and flash point of two-component mixtures containing sec -butylbenzene, tert -butylbenzene, iso -butylbenzene, and 1,3-diethylbenzene. The mixtures were prepared with n -dodecane, which is a common alkane used in surrogate mixture formulations for petroleum-based fuels. ,,− …”

Section: Introductionmentioning

confidence: 99%

Physical Properties of Binary Mixtures of n-Dodecane and Various Ten-Carbon Aromatic Compounds (2-Methyl-1-phenylpropane, 2-Methyl-2-phenylpropane, 2-Phenylbutane, and 1,3-Diethylbenzene): Densities, Viscosities, Speeds of Sound, Bulk Moduli, Surface Tensions, and Flash Points at T = (293.15–333.15) K and 0.1 MPa

2020

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Mixtures of n-dodecane with C 10 H 14 aromatic isomers (isobutylbenzene, sec-butylbenzene, tert-butylbenzene, and 1,3-diethylbenzene) were analyzed for density, viscosity, speed of sound, surface tension, and flash point. As the concentration of the aromatic component increased, densities, bulk moduli, and surface tensions increased, and viscosities and flash points decreased. Concentration increases caused the speed of sound of 1,3-diethylbenzene to increase monotonically, but for the other compounds, the speed of sound initially decreased before increasing to their maximum value. Excess molar volumes, V m E , and excess isentropic compressibilities were positive, and excess speeds of sound, c E , were negative, indicating non-ideal behavior. Viscosity deviations were negative for all mixtures, and excess molar Gibbs energies of activation for viscous flow did not differ statistically from zero. Mixtures of 1,3-diethylbenzene deviated from ideal mixture behavior the least, and tert-butylbenzene deviated from ideal mixture behavior the most. These mixtures alone would not be good surrogate mixtures for diesel and jet fuel because no mole fraction matched both viscosity and density. The addition of other compounds could remedy this problem.

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“…These two n-alkanes are commonly used in surrogate mixtures. 15−17 The 1,3,5triisoproylbenzene was used recently in surrogate mixtures for JP-3 kerosene 16 and diesel fuel 18 and has been investigated in flame studies. 12 n-Nonylbenzene is a component of various fuels, 19,20 and simulations have sought to predict its reactivity.…”

Section: Introductionmentioning

confidence: 99%

“…The goal of this study was to determine these physical properties for binary mixtures of n -dodecane or n -hexadecane with a 15-carbon chain aromatic compound, n -nonylbenzene or 1,3,5-triisoproylbenzene. These two n -alkanes are commonly used in surrogate mixtures. − The 1,3,5-triisoproylbenzene was used recently in surrogate mixtures for JP-3 kerosene and diesel fuel and has been investigated in flame studies , and simulations have sought to predict its reactivity …”

Section: Introductionmentioning

confidence: 99%

Thermophysical Properties of Two-Component Mixtures of n-Nonylbenzene or 1,3,5-Triisopropylbenzene with n-Hexadecane or n-Dodecane at 0.1 MPa: Experimentally Measured Densities, Viscosities, and Speeds of Sound and Molecular Packing Modeled Using Molecular Dynamics Simulations

Prak

Harrison

2021

J. Chem. Eng. Data

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This work presents experimentally measured densities, viscosities, and speeds of sound and calculated bulk moduli of binary mixtures of a C 15 H 25 aromatic compound (nnonylbenzene or 1,3,5-triisoproylbenzene) with either n-dodecane or n-hexadecane. Most properties increased monotonically as the amount of the compound with the higher property value increased. In contrast, minima in the speeds of sound for the 1,3,5triisopropylbenzene mixtures were found at x 1 = 0.1 or 0.2 in ndodecane mixtures and x 1 = 0.8 or 0.9 for n-hexadecane systems at 293.15 K. Also, the 1,3,5-triisopropylbenzene and n-hexadecane mixtures had viscosities below those of the individual compounds at 293.15 K. Excess molar volumes were all positive or close to zero; excess speeds of sound were all positive, while excess isentropic compressibilities and viscosity deviations were negative. Excess molar Gibbs energies of activation for viscous flow did not differ statistically from zero. Molecular dynamics simulations qualitatively reproduced the trends in excess molar volumes with 1,3,5-triisopropylbenzene mixtures having more positive excess molar volumes compared to the n-nonylbenzene mixtures. Examination of fluid structure using radial distribution functions and angular radial distribution functions showed that the relative positions and orientations of the aromatic rings in pure 1,3,5-triisopropylbenzene and n-nonylbenzene were very different. In addition, the arrangement of the n-nonylbenzene aromatic rings did not change as linear alkanes were added. In contrast, the addition of linear alkanes to 1,3,5-triisopropylbenzene altered the packing of the aromatic rings. This disruption of the preferential arrangement of 1,3,5-triisopropylbenzene aromatic rings in mixtures with linear alkanes is likely the reason these systems have larger excess molar volumes than the n-nonylbenzene mixtures.

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Surrogate fuels for RP-3 kerosene formulated by emulating molecular structures, functional groups, physical and chemical properties

Cited by 66 publications

References 42 publications

Review on the Relationship Between Liquid Aerospace Fuel Composition and Their Physicochemical Properties

Review on the Relationship Between Liquid Aerospace Fuel Composition and Their Physicochemical Properties

Thermophysical Properties of Two-Component Mixtures of n-Nonylbenzene or 1,3,5-Triisopropylbenzene with n-Hexadecane or n-Dodecane at 0.1 MPa: Experimentally Measured Densities, Viscosities, and Speeds of Sound and Molecular Packing Modeled Using Molecular Dynamics Simulations

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