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

Rakhmetova, Olga; Taghipour, Alireza; Will, Geoffrey; Brown, Richard; Rainey, Thomas J.

doi:10.1021/acs.jced.2c00624

Cited by 2 publications

(3 citation statements)

References 30 publications

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“…The relevant calculation formulas are shown in eqs – and among σ indicate the standard deviation of the data. N represents the number of points, and cal and exp represent the calculated and experimental data. , If RMSD( T ) < 1, RMSD( y i ) < 0.01, AAD( T ) < 1, and AAD( y i ) < 0.01, the regression results are good. …”

Section: Methodsmentioning

confidence: 99%

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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%

“…N represents the number of points, and cal and exp represent the calculated and experimental data. 40,41 If RMSD(T) < 1, RMSD(y i ) < 0.01, AAD(T) < 1, and AAD(y i ) < 0.01, the regression results are good.…”

Section: P C C T C C T C T C T C T Cmentioning

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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show abstract

“…A modified distillation apparatus was used to measure phase equilibrium data for binary and ternary systems. The apparatus was shown and experimentally validated in our previously published work 34 by comparing the measured and literature data on VLE for the ethanol + n-butanol binary system. The results revealed a high consistency between our measured data and the literature values, indicating the robustness of the experimental setup.…”

Section: Experimental Equipment and Procedurementioning

confidence: 99%

Correlation and Prediction of Isobaric Vapor–Liquid Equilibria of Binary and Ternary Systems Containing Oxygenated Biofuel Compounds (Butan-2-one + 2-Methylpropan-1-ol + Cyclopentanone) at Atmospheric Pressure

et al. 2023

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Process modeling and feasibility studies for biofuel production require accurate phase equilibria data. Binary mixtures of common biofuel compounds butan-2-one + 2-methylpropan-1-ol, butan-2-one + cyclopentanone, 2-methylpropan-1-ol + cyclopentanone, and a ternary system of all three components were studied to obtain vapor−liquid equilibrium data at atmospheric pressure. The experimental data were validated and verified thermodynamically by employing the modified McDermott−Ellis, Van Ness, and Herington methods. The binary vapor−liquid equilibrium (VLE) data were successfully correlated with the Wilson, NRTL, and UNIQUAC activity coefficient models and predicted with the PSRK model. Further, the PSRK model and NRTL with the obtained binary interaction parameter (BIP) model were applied to forecast VLE data for the ternary system of butan-2-one + 2methylpropan-1-ol + cyclopentanone. Both PSRK and NRTL models showed good accuracy in predicting the equilibrium temperature. At the same time, the PSRK model outperformed the NRTL model in predicting the composition of the vapor phase. The PSRK model was quite accurate for predicting the VLE of these biofuel components, even without any experimental data.

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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

Cited by 2 publications

References 30 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

Correlation and Prediction of Isobaric Vapor–Liquid Equilibria of Binary and Ternary Systems Containing Oxygenated Biofuel Compounds (Butan-2-one + 2-Methylpropan-1-ol + Cyclopentanone) at Atmospheric Pressure

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