Isobaric vapor-liquid equilibrium of water plus glymes binary mixtures: Experimental measurements and molecular thermodynamic modelling
authors Crespo, EA; Chouireb, N; Igoudjilene, OT; Vega, LF; Carvalho, PJ; Coutinho, JAP
nationality International
journal FLUID PHASE EQUILIBRIA
author keywords Glymes; Water; Vapor-liquid equilibrium; Soft-SAFT; Activity coefficients
keywords EQUATION-OF-STATE; DIRECTIONAL ATTRACTIVE FORCES; SOFT-SAFT EQUATION; CARBON-DIOXIDE; IONIC LIQUIDS; SOLUBILITY BEHAVIOR; PHASE-EQUILIBRIA; SULFUR-DIOXIDE; N-ALKANES; CO2
abstract In this work, new experimental data on the isobaric vapor-liquid equilibria (VLE) of binary aqueous systems, with six different glycol ethers (glymes), some of which are currently used in the Selexol process, were measured at three different pressures, namely 0.05, 0.07, and 0.1 MPa. From the experimental data, the water activity coefficients were estimated using the modified Raoult's law and used to infer about the effect of the glymes structure on their interactions with water. Moreover, using a coarse-grain molecular model previously proposed in the framework of the soft-SAFT equation of state (EoS) for both glycols and glymes, the experimental data were successfully correlated with a single state-independent binary interaction parameter and average absolute deviations from the experimental data of 1.30 K. Furthermore, the model was used in a predictive manner to obtain the water activity coefficients in the whole composition range, providing useful insights into the systems non-ideality. (C) 2020 Elsevier B.V. All rights reserved.
publisher ELSEVIER
issn 0378-3812
isbn 1879-0224
year published 2020
volume 513
digital object identifier (doi) 10.1016/j.fluid.2020.112547
web of science category Thermodynamics; Chemistry, Physical; Engineering, Chemical
subject category Thermodynamics; Chemistry; Engineering
unique article identifier WOS:000531017600004
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