Excess Molar Volume along with Viscosity, Flash Point, and Refractive Index for Binary Mixtures of cis-Decalin or trans-Decalin with C9 to C11 n-Alkanes

Chi, Hai; Li, Guangqian; Guo, Yihang; Xu, Li; Fang, Wenjun

doi:10.1021/je400250u

Cited by 52 publications

(22 citation statements)

References 26 publications

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“…3b). Cyclo-paraffins with cis configuration typically possess a higher density than their trans configurations (symmetry structure) because of the twisted structure of cis configuration, e.g., cis-decalin (0.897 g/cm 3 ) versus trans-decalin (0.870 g/cm 3 ) [13]. For alkyl-substituted cyclo-paraffins, such as methylcyclohexane (0.765 g/cm 3 ), butylcyclohexane (0.796 g/cm 3 ) [14], and l,2dimethylcyclohexane (0.796 g/cm 3 ) [15], the increased chain length of the alkyl substituent and alkyl substituent number can slightly increase the density.…”

Section: Relationship Between Density and Fuel Compositionmentioning

confidence: 99%

“…Analogously, the H/C molar ratio was also used to predict the NHOC of different hydrocarbon fuels (Entry 5, Table 4) [60]. Similar to the prediction of fuel density, HPLC, 13 C NMR, FT-IR spectra, GC, GC-MS, and GC × GC-MS/FID have been conducted to determine the fuel composition. Then, the correlations of gravimetric NHOC with the detailed composition can be established by different regression methods, such as the linear regression method, ANN approaches, and statistical algorithms.…”

Section: Correlation and Estimation Of Gravimetric Nhocmentioning

confidence: 99%

“…Cyclo-paraffins usually possess a slightly higher flash point than n-paraffins at the same carbon number, and cyclo-paraffins with cis configuration have a higher flash point than their trans configuration, e.g., cis-decalin (59.5 °C) versus trans-decalin (53.7 °C) [13] possibly due to the increased molecular interaction caused by the twisted structure of cis configuration. The position of alkyl substituent also influences the flash point of cyclo-paraffins.…”

Section: Relationship Between Flash Point and Fuel Compositionmentioning

confidence: 99%

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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 Density and Fuel Compositionmentioning

confidence: 99%

Section: Correlation and Estimation Of Gravimetric Nhocmentioning

confidence: 99%

Section: Relationship Between Flash Point and Fuel Compositionmentioning

confidence: 99%

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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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“… a Standard uncertainties u are u ( p ) = 0.5 kPa and u ( T ) = 0.01 K. The combined standard uncertainties are u r ( ρ ) = 0.0006 and u r ( η ) = 0.01. b Reference . c Reference . d Reference . e Reference . f Reference . g Reference . h Reference . i Reference . j Reference . k Reference . l Reference . m Reference . n Reference . …”

Section: Resultsmentioning

confidence: 99%

Densities and Viscosities for the Ternary Mixture of n-Undecane (1) + Methyl Decanoate (2) + n-Butanol (3) and Corresponding Binaries from T = 293.15 to 333.15 K and at Atmospheric Pressure

Jiang

Dai

et al. 2021

J. Chem. Eng. Data

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It has been proved that the general performance of aviation fuels can be improved with the addition of biofuels. To understand the fundamental physical properties of the blends, n-undecane, methyl decanoate, and n-butanol were chosen as model compounds to construct a mixed system. Densities (ρ) and viscosities (η) of the ternary system n-undecane + methyl decanoate + n-butanol and its corresponding binary systems n-undecane + methyl decanoate, n-undecane + n-butanol, and methyl decanoate + n-butanol were measured at different temperatures T = (293.15–333.15 K) and atmospheric pressure p = 0.1 MPa. The excess molar volumes (V m E) and the viscosity deviations (Δη) of the binary systems and the ternary system were correlated to the Redlich–Kister equation and four semi-empirical equations, respectively. The V m E values of the ternary system and binary systems are all positive over the entire concentration range at each experimental temperature, while their Δη values are all negative. The experimental results can provide reliable data for the compatibility of biofuels and fossil fuels.

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“…21 Meanwhile, hydrocarbon compounds with tertiary carbons (from branching or ring substitution) are always less stable than related compounds that do not have tertiary carbons. As a result, bicyclohexyl and n-propylcyclohexane are less stable than decalin.…”

Section: Rate Constants and Activation Energymentioning

confidence: 99%

Thermal Decomposition Kinetics and Mechanism of 1,1′-Bicyclohexyl

Yue

Qin

et al. 2014

Energy Fuels

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Thermal decomposition of 1,1′-bicyclohexyl, a potential surrogate component of high-density hydrocarbon fuels, was performed in a batch-type reactor to investigate its thermal stability. A first-order kinetic equation is supposed to correlate the decomposition process, and the apparent rate constants, ranging from 0.0223 h −1 at 683 K to 0.1979 h −1 at 713 K, are determined. The Arrhenius parameters are determined with the pre-exponential factor A = 6.22 × 10 20 h −1 and the activation energy E a = 293 kJ·mol −1 . Compared with four typical hydrocarbon compounds, the thermal stability trend is observed in the order of n-dodecane ≈ 1,3,5-triisopropylcyclohexane > bicyclohexyl > n-propylcyclohexane > decalin. Cyclohexane and cyclohexene are found to be the primary products due to the relatively low energy of the C−C bond connecting the two cyclohexyl rings. Bicyclohexyl decomposes into cyclohexane and cyclohexene equivalently at the beginning of the reaction. A probable mechanism on the basis of quantum calculation and GC-MS analyses for the decomposition of bicyclohexyl is proposed to explain the product distribution. It is shown that the formation of decomposition products is mainly obtained through hydrogen transfer, β-scission, isomerization, or dehydrogenation.

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Excess Molar Volume along with Viscosity, Flash Point, and Refractive Index for Binary Mixtures of cis-Decalin or trans-Decalin with C₉ to C₁₁ n-Alkanes

Cited by 52 publications

References 26 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

Densities and Viscosities for the Ternary Mixture of n-Undecane (1) + Methyl Decanoate (2) + n-Butanol (3) and Corresponding Binaries from T = 293.15 to 333.15 K and at Atmospheric Pressure

Thermal Decomposition Kinetics and Mechanism of 1,1′-Bicyclohexyl

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