Isobaric Vapor–Liquid Equilibrium of Isoamyl Alcohol, Cyclohexane, <i>n</i>-Hexane, and the <i>n</i>-Heptane + Isoamyl Butyrate Binary System at 101.3 kPa

Huo, Bingjie; Qiu, Xiaomin; Zhang, Hongru; Zhang, Yaning; Yang, Jingwei; Zhu, Zhaoyou; Wang, Yinglong; Gao, Jun

doi:10.1021/acs.jced.1c00555

Cited by 4 publications

(3 citation statements)

References 41 publications

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“…However, since the Fredenslund test is based on global statistics, the possibility of local inconsistency is not considered, which is a necessary and insufficient condition for the thermodynamic consistency test. Therefore, it must always be accompanied by an analysis of the residual distribution, including the difference between the calculated values of the activity coefficient model and the measured experimental values of the vapor phase composition Δ y 1 and temperature Δ T , , such as eqs and : …”

Section: Methodsmentioning

confidence: 99%

Isobaric Vapor–Liquid Equilibrium of Ethyl Acetate + 1-Hexanol, Methanol + 1-Hexanol, and n-Heptane + Cyclohexanol Binary System at 101.3 kPa

Zhou,

Hu,

Qiu

et al. 2023

J. Chem. Eng. Data

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The fundamental component of the data used in chemical calculations is vapor−liquid equilibrium (VLE) information. The VLE data between several routinely used extractants and chemicals often utilized in industry still have some gaps, nevertheless. The isobaric phase equilibrium values of ethyl acetate + 1-hexanol, methanol + 1-hexanol, and n-heptane + cyclohexanol at 101.3 kPa were measured by using a modified Rose VLE still. The accuracy of experimental data was verified using two test techniques, the Van Ness and Fredenslund tests, and the final experimental data were highly correlated. The NRTL model, UNIQUAC model, and WILSON model were used to correlate the data, and binary interaction parameters between the components were derived. The three systems all meet the data requirements with respect to the root-mean-square deviation (RMSD) and average absolute deviation (AAD) of temperature being less than 0.1 and the RMSD and AAD of the vapor phase mole fraction being less than 0.01. The experimental and predicted values of all data points are in good agreement, and they all meet the requirements outlined in the process design. Additionally, it is discovered that the system under study behaves optimally throughout the whole research domain.

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Section: Methodsmentioning

confidence: 99%

Isobaric Vapor–Liquid Equilibrium of Ethyl Acetate + 1-Hexanol, Methanol + 1-Hexanol, and n-Heptane + Cyclohexanol Binary System at 101.3 kPa

Zhou,

Hu,

Qiu

et al. 2023

J. Chem. Eng. Data

Self Cite

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“…Therefore, all substances were applied directly without further purification. The density at 298.15 K of these solvents was measured using a DMA 4500 (Anton Paar GmbH, Austria) fully automatic digital densitometer, and the boiling point at 101.3 kPa measured with a modified Roes–Williams still, and the results were compared with reference values, − which were all shown in Table .…”

Section: Methodsmentioning

confidence: 99%

Effects of Diphenylamine on Binary Systems of Acetone + Ethanol, Acetone + Cyclohexane, and Ethanol + Cyclohexane at 101.3 kPa: Vapor–Liquid Equilibrium Measurement and Molecular Simulation

Fang

et al. 2023

J. Chem. Eng. Data

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The recovery of organic solvents is important in the process of extracting nitrocellulose from waste propellants. Until now, the influence of diphenylamine from waste propellants on organic solvents has not been clear, which is a critical factor for their separation. In this paper, binary and ternary vapor–liquid equilibrium systems referring to mixtures containing diphenylamine, acetone, ethanol, and cyclohexane at 101.3 kPa were investigated systemically. The experimental results shows that diphenylamine increased the equilibrium temperature, decreased the relative volatility of organic solvents, and has a limited effect on the azeotropic composition for the systems of acetone + cyclohexane and ethanol + cyclohexane. In addition, a molecular dynamics analysis through GROMACS software was adopted to explore the interaction between diphenylamine and the above solvents, and the results show that the order of magnitude of the interaction force is: acetone is greater than ethanol and ethanol is greater than cyclohexane. This might be the main reason for the decreasing relative volatility of organic solvents.

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“…There are many studies on the VLE of oxygenated binary systems. − Huo et al and Zhang et al reported the isobaric vapor–liquid equilibria data of the binary systems and correlated the activity coefficients with three equations. Wang et al studied three polar systems, and the regressed BIPs supported the prediction of the vapor–liquid equilibrium of ternary system.…”

Section: Introductionmentioning

confidence: 99%

Isobaric Vapor–Liquid Equilibria of Binary Systems Containing Oxygenated Biofuel Compounds (Ethanol + Cyclopentanone, Propyl Butanoate + 4-Methylphenol, Cyclopentanone + Propane-1,2-diol) at Atmospheric Pressure

et al. 2023

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The isobaric phase equilibrium data for the binary systems of ethanol + cyclopentanone, propyl butanoate + 4-methylphenol, and cyclopentanone + propane-1,2-diol at atmospheric pressure were measured using a modified distillation apparatus. The Herington and Van Ness tests were employed to confirm the thermodynamic consistency of the experimental data. In addition, the Wilson, NRTL, and UNIQUAC models were used to correlate experimental vapor–liquid equilibrium data. The corresponding binary interaction parameters (BIPs) for the three models, which are useful for the modeling and designing separation processes involving biofuel, were obtained using a maximum likelihood objective function. It has been confirmed that when appropriate BIPs are used in each model, the outputs are consistent with each other and with experimental data.

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Isobaric Vapor–Liquid Equilibrium of Isoamyl Alcohol, Cyclohexane, n-Hexane, and the n-Heptane + Isoamyl Butyrate Binary System at 101.3 kPa

Cited by 4 publications

References 41 publications

Isobaric Vapor–Liquid Equilibrium of Ethyl Acetate + 1-Hexanol, Methanol + 1-Hexanol, and n-Heptane + Cyclohexanol Binary System at 101.3 kPa

Isobaric Vapor–Liquid Equilibrium of Ethyl Acetate + 1-Hexanol, Methanol + 1-Hexanol, and n-Heptane + Cyclohexanol Binary System at 101.3 kPa

Effects of Diphenylamine on Binary Systems of Acetone + Ethanol, Acetone + Cyclohexane, and Ethanol + Cyclohexane at 101.3 kPa: Vapor–Liquid Equilibrium Measurement and Molecular Simulation

Isobaric Vapor–Liquid Equilibria of Binary Systems Containing Oxygenated Biofuel Compounds (Ethanol + Cyclopentanone, Propyl Butanoate + 4-Methylphenol, Cyclopentanone + Propane-1,2-diol) at Atmospheric Pressure

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