Volumetric properties and viscosity for the ternary system of (1-pentanol + ethylcyclohexane + methyl myristate) and corresponding binary systems at T = 293.15–323.15 K

Li, Dan; Yang, Zheng; Wang, Jingying; Pang, Yan; Liu, Meifang

doi:10.1016/j.jct.2021.106660

Cited by 6 publications

(4 citation statements)

References 24 publications

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“…6 On the other hand, higher alcohols such as iso-pentanol exhibit a similar energy density to gasoline, higher boiling points, and solubility in hydrocarbon fuels while demonstrating lower water affinity, making them more suitable as engine fuels. [7][8][9] In the past decades, researchers have carried out comprehensive research on iso-pentanol combustion kinetics. A series of experiments based on jet stirred reactor (JSR), 9,10 shock tube (ST) [10][11][12] , and rapid compression machine (RCM) 10,12 were performed across a wide temperature (530−1500 K), pressure (0.1−6.0 MPa) and equivalence ratio (0.25−4.0) range.…”

Section: Introductionmentioning

confidence: 99%

“…Nevertheless, researches indicated that certain physicochemical properties of ethanol, notably its low energy density, low boiling point, and high water affinity, may dampen engine fuel economy, cause vapor lock issues, and lead to water contamination, respectively 6 . On the other hand, higher alcohols such as iso‐pentanol exhibit a similar energy density to gasoline, higher boiling points, and solubility in hydrocarbon fuels while demonstrating lower water affinity, making them more suitable as engine fuels 7–9 …”

Section: Introductionmentioning

confidence: 99%

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Theoretical study on iso‐pentanol oxidation chemistry: Fuel radical isomerization and decomposition kinetics and mechanism development

Zhou,

Duan,

Huang

et al. 2024

Int J of Chemical Kinetics

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This study undertakes a detailed theoretical investigation into the iso‐pentanol radical isomerization and decomposition kinetics and the mechanism development of the iso‐pentanol oxidation. The CCSD(T)/CBS//M08‐HX/6‐311+G(2df,2p) method was adopted to calculate the reaction potential energy surface. The reaction rate coefficients were calculated by variational transition state theory (VTST) with multistructural torsional (MS‐T) partition function and small curvature tunneling (SCT) correction. Moreover, the pressure‐dependent rate coefficients were determined using the system‐specific quantum Rice‐Ramsperger‐Kassel theory (SS‐QRRK). The variational and tunneling effects were discussed, and the dominant reaction channels were identified. It reveals that the isomerization reactions play a significant role at low temperatures, while the decomposition reactions dominate the high‐temperature regime. Notably, the quantitative rate expressions for iso‐pentanol radical decomposition reactions were also obtained. Furthermore, a new kinetic model incorporating the calculated rate coefficients was constructed, exhibiting satisfactory prediction performance on ignition delay times and improved predictive accuracy of species mole fractions. This work provides accurate rate data of isomerization and decomposition kinetics and contributes to a more comprehensive understanding of the iso‐pentanol oxidation mechanism.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Theoretical study on iso‐pentanol oxidation chemistry: Fuel radical isomerization and decomposition kinetics and mechanism development

Zhou,

Duan,

Huang

et al. 2024

Int J of Chemical Kinetics

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“…This paper presents the experimental measurement of refractive index ( n D ) of binary mixture P (1) + Alkanols (2) mixtures at different composition range and at temperature (298.15 to 318.15) K. Experimental data of n D were used to calculate the deviation in refractive index ( n ).The reason for choosing higher alcohols is that it is a long chain alcohol having better miscibility, stability and high energy density. So pentanol helps to improve the low temperature fluidity of biodiesel which further tends to decrease the CO and NOx emissions proficiently [19]. The predicted values were compared with the different mixing rules like Lorentz-Lorentz (L.L), Gladstone-Dale (G.D), Hellerrelation (H.R) and Weiner-relation (W.R).…”

Section: Introductionmentioning

confidence: 99%

Optical studies of binary mixture containing palm biodiesel and alkanols : experimental and theoretical interpretation

Sangwan

Rani²,

Siwach³

et al. 2023

IOP Conf. Ser.: Earth Environ. Sci.

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Refractive indices (nD ) of binary mixture containing palm biodiesel (P) and alkanols (1-pentanol (1P) and 3-pentanol (3P)) were measured at different temperatures (298.15,303.15k,308.15k,313.15k,318.15k) at 0.1 MPa over the entire composition range of mole fractions. The nD values of pure compounds and their binary mixtures were measured by using refractometer (Anton Paar Abbemat 200). Experimental data of nD were used to compute deviation in refractive index (Δn). Further, refractive index values also have been measured in terms of different mixing rules like Lorentz-Lorentz (L.L), Gladstone-Dale (G.D), Heller-relation (H.R) and Weiner-relation (W.R). The experimental data of nD compared well with the values obtained by using mixing rules for binary mixture P (1) + Alkanols (2). The measured data were correlated by Redlich-Kister polynomial equation. The effect of temperature has also been investigated.

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“…Over the last three decades, significant progress has been witnessed in the theoretical understanding of liquid-liquid binary mixtures [1,2], keeping in view that the prediction of the few important properties like density, viscosity, and the excess properties, is related to their engineering performance. Studies on the theoretical modelling of thermodynamic and engineering properties have been carried out on alcohol-based binary/ternary mixtures like water and ethanol [3], 1,3,5-trimethyladamantane + 1,2,3,4-tetrahydronaphthalene + n-octanol and corresponding binary systems [4], n-hexane, ethanol, and cyclopentyl methyl ether [5], pentanol + ethyl cyclohexane + methyl myristate and corresponding binary systems [6] and ethylene glycol-based ternary mixture [7]. The knowledge of the thermodynamic and transport properties of alcohol-based binary mixtures can be used to develop theoretical models and for the design of new technologies.…”

Section: Introductionmentioning

confidence: 99%

Comparative Evaluation of Viscosity, Density and Ultrasonic Velocity Using Deviation Modelling for Ethyl-Alcohol Based Binary Mixtures

Padmanaban,

Gayathri,

Gopalan

et al. 2023

Applied Sciences

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This study reports the comparative deviations in experimental viscosity, density and ultrasonic velocity of two new ethanol-based binary liquid mixtures (ethanol + 1-hexanol and ethanol + 1-octanol) at 303.15 K by applying various theoretical models (Hind relation (ηH), Kendall and Monroe relation (ηK-M), Bingham relation (ηB), Arrhenius–Eyring relation (ηAE), Croenauer-Rothfus Kermore relation (ηCRK) and Gambrill relation (ηG)). Typically, the experimental densities are compared with theoretical methods like the Mchaweh–Nasrifar–Mashfeghian model (ρMNM), Hankinson and Thomson model (ρHT), Yamada and Gunn model (ρYG) and Reid et al. (ρR) model. Additionally, the experimental ultrasonic velocities are compared with various theoretical models like the Nomoto relation (UN), Van Dael and Vangeel relation (UIMR), Impedance relation (UIR), Rao’s specific velocity relation (UR) and Junjie relation (UJ). The average percentage of deviation (APD) is determined to identify the most suited model that can closely agree to the experimental values of the specified property (viscosity, density and ultrasonic velocity). From the APD values, it may be concluded that the ηK-M model is the most suitable theoretical method for estimating the viscosity for the ethanol + 1-hexanol system, and the Gambrill model is the suitable method for estimating viscosity for ethanol + 1-octanol liquid systems. Similarly, the model of Reid et al. and Jungie’s relation are the most suited theoretical models to predict the density and ultrasonic velocity of the binary liquid systems, respectively. Form the experimental data, various molecular interaction properties like adiabatic compressibility, intermolecular free length, free volume, internal pressure, and viscous relaxation time are analysed. The results of this study are expected to be useful in predicting the suitable molecular proportions that can be suited for industrial application (flavouring additive, insecticide, in the manufacture of antiseptics, perfumes for 1-hexanol based mixtures and flavouring, and as an antifoaming agent for 1-octanol based liquid mixtures).

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Volumetric properties and viscosity for the ternary system of (1-pentanol + ethylcyclohexane + methyl myristate) and corresponding binary systems at T = 293.15–323.15 K

Cited by 6 publications

References 24 publications

Theoretical study on iso‐pentanol oxidation chemistry: Fuel radical isomerization and decomposition kinetics and mechanism development

Theoretical study on iso‐pentanol oxidation chemistry: Fuel radical isomerization and decomposition kinetics and mechanism development

Optical studies of binary mixture containing palm biodiesel and alkanols : experimental and theoretical interpretation

Comparative Evaluation of Viscosity, Density and Ultrasonic Velocity Using Deviation Modelling for Ethyl-Alcohol Based Binary Mixtures

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