New measurements and modeling of high pressure thermodynamic properties of glycols

New experimental density data of six glycols, namely ethylene glycol (EG), diethylene glycol (DEG), triethylene glycol (TriEG), tetraethylene glycol (TeEG), pentaethylene glycol (PeEG) and hexaethylene glycol (HeEG), and a polyethyleneglycol (PEG 400) were determined in a wide range of temperatures...

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Main Authors: Crespo, E.A., Costa, J.M.L., Hanafiah, Z.B.M.A., Kurnia, K.A., Oliveira, M.B., Llovell, F., Vega, L.F., Carvalho, P.J., Coutinho, J.A.P.
Format: Article
Institution: Universiti Teknologi Petronas
Record Id / ISBN-0: utp-eprints.19570 /
Published: Elsevier B.V. 2017
Online Access: https://www.scopus.com/inward/record.uri?eid=2-s2.0-85009170705&doi=10.1016%2fj.fluid.2017.01.003&partnerID=40&md5=e39bc2f7321ceb8c24e354b6a0137c10
http://eprints.utp.edu.my/19570/
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spelling utp-eprints.195702018-04-20T07:06:37Z New measurements and modeling of high pressure thermodynamic properties of glycols Crespo, E.A. Costa, J.M.L. Hanafiah, Z.B.M.A. Kurnia, K.A. Oliveira, M.B. Llovell, F. Vega, L.F. Carvalho, P.J. Coutinho, J.A.P. New experimental density data of six glycols, namely ethylene glycol (EG), diethylene glycol (DEG), triethylene glycol (TriEG), tetraethylene glycol (TeEG), pentaethylene glycol (PeEG) and hexaethylene glycol (HeEG), and a polyethyleneglycol (PEG 400) were determined in a wide range of temperatures (283–363 K) and pressures (0.1–95) MPa. The experimental density data was first correlated, as function of temperature and pressure, using the modified Tait-Tammann equation, and the derivative properties, such as isobaric thermal expansion coefficients and the isothermal compressibility, were estimated. It is shown that the isobaric thermal expansivity converges to a cross-over point that, although commonly observed for non-associating compounds, is here reported for the first time for the studied glycols. This denotes the presence of hydrogen bonds, mainly dominated by dispersive interactions, breaking and decreasing intermolecular interactions as the temperature and the number of glycols ethoxy groups increase. The study is completed with the modeling of the experimental data using the soft-SAFT equation of state. A molecular model, considering the glycol molecules as LJ chains with one associating site at each of the compounds' end groups (hydroxyl groups) is proposed for all the glycols, allowing the EoS to provide an excellent description of the glycols pVT surface. Additionally, the optimized parameters were correlated with the compound's molecular weight, providing a good prediction of the PEG400 density and the compounds' derivative properties. © 2017 Elsevier B.V. Elsevier B.V. 2017 Article PeerReviewed https://www.scopus.com/inward/record.uri?eid=2-s2.0-85009170705&doi=10.1016%2fj.fluid.2017.01.003&partnerID=40&md5=e39bc2f7321ceb8c24e354b6a0137c10 Crespo, E.A. and Costa, J.M.L. and Hanafiah, Z.B.M.A. and Kurnia, K.A. and Oliveira, M.B. and Llovell, F. and Vega, L.F. and Carvalho, P.J. and Coutinho, J.A.P. (2017) New measurements and modeling of high pressure thermodynamic properties of glycols. Fluid Phase Equilibria, 436 . pp. 113-123. http://eprints.utp.edu.my/19570/
institution Universiti Teknologi Petronas
collection UTP Institutional Repository
description New experimental density data of six glycols, namely ethylene glycol (EG), diethylene glycol (DEG), triethylene glycol (TriEG), tetraethylene glycol (TeEG), pentaethylene glycol (PeEG) and hexaethylene glycol (HeEG), and a polyethyleneglycol (PEG 400) were determined in a wide range of temperatures (283–363 K) and pressures (0.1–95) MPa. The experimental density data was first correlated, as function of temperature and pressure, using the modified Tait-Tammann equation, and the derivative properties, such as isobaric thermal expansion coefficients and the isothermal compressibility, were estimated. It is shown that the isobaric thermal expansivity converges to a cross-over point that, although commonly observed for non-associating compounds, is here reported for the first time for the studied glycols. This denotes the presence of hydrogen bonds, mainly dominated by dispersive interactions, breaking and decreasing intermolecular interactions as the temperature and the number of glycols ethoxy groups increase. The study is completed with the modeling of the experimental data using the soft-SAFT equation of state. A molecular model, considering the glycol molecules as LJ chains with one associating site at each of the compounds' end groups (hydroxyl groups) is proposed for all the glycols, allowing the EoS to provide an excellent description of the glycols pVT surface. Additionally, the optimized parameters were correlated with the compound's molecular weight, providing a good prediction of the PEG400 density and the compounds' derivative properties. © 2017 Elsevier B.V.
format Article
author Crespo, E.A.
Costa, J.M.L.
Hanafiah, Z.B.M.A.
Kurnia, K.A.
Oliveira, M.B.
Llovell, F.
Vega, L.F.
Carvalho, P.J.
Coutinho, J.A.P.
spellingShingle Crespo, E.A.
Costa, J.M.L.
Hanafiah, Z.B.M.A.
Kurnia, K.A.
Oliveira, M.B.
Llovell, F.
Vega, L.F.
Carvalho, P.J.
Coutinho, J.A.P.
New measurements and modeling of high pressure thermodynamic properties of glycols
author_sort Crespo, E.A.
title New measurements and modeling of high pressure thermodynamic properties of glycols
title_short New measurements and modeling of high pressure thermodynamic properties of glycols
title_full New measurements and modeling of high pressure thermodynamic properties of glycols
title_fullStr New measurements and modeling of high pressure thermodynamic properties of glycols
title_full_unstemmed New measurements and modeling of high pressure thermodynamic properties of glycols
title_sort new measurements and modeling of high pressure thermodynamic properties of glycols
publisher Elsevier B.V.
publishDate 2017
url https://www.scopus.com/inward/record.uri?eid=2-s2.0-85009170705&doi=10.1016%2fj.fluid.2017.01.003&partnerID=40&md5=e39bc2f7321ceb8c24e354b6a0137c10
http://eprints.utp.edu.my/19570/
_version_ 1741196228190797824
score 11.62408

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