eprintid: 8768
rev_number: 2
eprint_status: archive
userid: 1
dir: disk0/00/00/87/68
datestamp: 2023-11-09 16:20:41
lastmod: 2023-11-09 16:20:41
status_changed: 2023-11-09 16:13:28
type: article
metadata_visibility: show
creators_name: Crespo, E.A.
creators_name: Costa, J.M.L.
creators_name: Hanafiah, Z.B.M.A.
creators_name: Kurnia, K.A.
creators_name: Oliveira, M.B.
creators_name: Llovell, F.
creators_name: Vega, L.F.
creators_name: Carvalho, P.J.
creators_name: Coutinho, J.A.P.
title: New measurements and modeling of high pressure thermodynamic properties of glycols
ispublished: pub
keywords: Binary mixtures; Compressibility; Density (specific gravity); Equations of state; Ethylene; Ethylene glycol; Glycols; Hydrogen bonds; Isotherms; Polyols; Thermal expansion; Thermodynamic properties, Expansion coefficients; High pressure; Isobaric thermal; Isothermal compressibility; Soft-SAFT; Tammann equations, Temperature
note: cited By 38
abstract: 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.
date: 2017
publisher: Elsevier B.V.
official_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
id_number: 10.1016/j.fluid.2017.01.003
full_text_status: none
publication: Fluid Phase Equilibria
volume: 436
pagerange: 113-123
refereed: TRUE
issn: 03783812
citation:   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.  ISSN 03783812