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

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

doi:10.1021/acs.jced.3c00088

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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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Peer reviewed

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

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

Journal of Chemical & Engineering Data, Vol.68(6), pp.1367-1375

2023

DOI: https://doi.org/10.1021/acs.jced.3c00088

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Abstract

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 + 2-methylpropan-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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Title: 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
Authors: Olga Rakhmetova (Author) - Queensland University of Technology
Alireza Taghipour (Author) - Queensland University of Technology
Geoffrey Will (Author) - Queensland University of Technology
Richard J. Brown (Author) - Queensland University of Technology
Thomas J. Rainey (Corresponding Author) - Queensland University of Technology
Publication details: Journal of Chemical & Engineering Data, Vol.68(6), pp.1367-1375
Publisher: American Chemical Society
DOI: 10.1021/acs.jced.3c00088
ISSN: 1520-5134
Grant note: QUT Postgraduate Research Scholarship
Organisation Unit: School of Science, Technology and Engineering
Language: English
Record Identifier: 99737876602621
Output Type: Journal article

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