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Density and phase behavior of the CO2 + methylbenzene system in wide ranges of temperatures and pressures

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Title: Density and phase behavior of the CO2 + methylbenzene system in wide ranges of temperatures and pressures
Authors: Sanchez-Vicente, Y
Tay, WJ
Al Ghafri, SZ
Efika, EC
Trusler, JPM
Item Type: Journal Article
Abstract: Knowledge of the thermophysical properties of CO2-hydrocarbon mixtures over extended ranges of temperature and pressure is crucial in the design and operation of many carbon capture and utilization processes. In this paper, we report phase behavior, saturated-phase densities, and compressed-liquid densities of CO2 + methylbenzene at temperatures between 283 K and 473 K and at pressures up to 65 MPa over the full composition range. The saturated-phase densities were correlated by a recently developed empirical equation with an absolute average relative deviation (ΔAARD) of ∼0.5%. The compressed-fluid densities were also correlated using an empirical equation with an ΔAARD value of 0.3%. The new data have been compared with the predictions of two equations of state: the predictive Peng–Robinson (PPR-78) equation of state and the SAFT-γ Mie equation of state. In both of these models, binary parameters are estimated using functional group contributions. Both models provided satisfactory representation of the vapor–liquid equilibrium and saturated-phase-density data, but the accuracy decreased in the prediction of the compressed-liquid densities where the ΔAARD was ∼2%. The isothermal compressibility and isobaric expansivity are also reported here and were predicted better with SAFT-γ Mie than with PPR-78. Overall, the comparisons showed that SAFT-γ Mie performs somewhat better than PPR-78, but the results suggest that further refinement of the SAFT-γ Mie parameter table are required.
Issue Date: 8-Jan-2020
Date of Acceptance: 18-Dec-2019
URI: http://hdl.handle.net/10044/1/77563
DOI: 10.1021/acs.iecr.9b05377
ISSN: 0888-5885
Publisher: American Chemical Society (ACS)
Start Page: 7224
End Page: 7237
Journal / Book Title: Industrial & Engineering Chemistry Research
Volume: 59
Issue: 15
Copyright Statement: © 2020 American Chemical Society. This document is the Accepted Manuscript version of a Published Work that appeared in final form in Industrial && Engineering Chemistry Research, after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.iecr.9b05377
Keywords: Science & Technology
Engineering, Chemical
273 K
03 Chemical Sciences
09 Engineering
Chemical Engineering
Publication Status: Published
Article Number: acs.iecr.9b05377
Online Publication Date: 2020-01-08
Appears in Collections:Chemical Engineering
Faculty of Engineering