resumo
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.
palavras-chave
EQUATION-OF-STATE; DIRECTIONAL ATTRACTIVE FORCES; SOFT-SAFT EQUATION; CARBON-DIOXIDE; IONIC LIQUIDS; SOLUBILITY BEHAVIOR; PHASE-EQUILIBRIA; SULFUR-DIOXIDE; N-ALKANES; CO2
categoria
Thermodynamics; Chemistry; Engineering
autores
Crespo, EA; Chouireb, N; Igoudjilene, OT; Vega, LF; Carvalho, PJ; Coutinho, JAP
nossos autores
Emanuel de Almeida Crespo
Colaborador
Pedro J. Carvalho
Professor AuxiliarProjectos
CICECO - Aveiro Institute of Materials (UID/CTM/50011/2019)
Projeto de Investigação Exploratória: Pedro Carvalho (IF/00758/2015)
agradecimentos
This work was developed within the scope of the project CICECO -Aveiro Institute of Materials, FCT Ref. UID/CTM/50011/2019, financed by national funds through the FCT/MCTES, and when appropriate co-financed by FEDER under the PT2020 Partnership Agreement. This work was funded by PARTEX OIL & GAS. E. A. Crespo acknowledges FCT for the Ph.D. Grant SFRH/BD/130870/2017. P. J. Carvalho also acknowledges FCT for a contract under the Investigador FCT 2015, contract number IF/00758/2015. L.F. Vega acknowledges support from Khalifa University of Science and Technology through project RC2-2019-007.