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Title: Suitable Experimentation-Modeling Binomial to Design the Extraction of an Alkanol with Water in Aqueous Ternary Solutions of Ester-Akanol
Authors: Lorenzo Pérez, Beatriz 
Ortega Saavedra, Juan 
Fernández, Luis 
Sosa Marco, Adriel 
UNESCO Clasification: 3303 ingeniería y tecnología químicas
Issue Date: 2021
Project: Mejoras en la producción de esteres en sistemas azeotrópicos para conseguir procesos sostenibles y eficientes. Ingeniería de procesos con métodos rigurosos, exper-model-simul 
Journal: Industrial & Engineering Chemistry Research 
Abstract: This work presents an investigation on phase equilibria in partially miscible systems comprised of water, esters, and alkanols. Experimental liquid-liquid equilibria (LLE) were determined for ternaries of water+H2u-1Cu-1CO2CvH2v+1+CwH2w+1(OH) (u = 3,4; v = 2,3; w = 1-4) at 298.15 K and for the four corresponding water+ester binaries, in the temperature interval T = [283-328] K. The results reveal a complex behavior of the ternary LLE. The ester barely dissolves in the aqueous phase, even in the presence of alkanol (xmax,esterII ≈ 0.15). However, the organic phase contains high quantities of water when the compositions approach the plait point (xmax,waterI ≈ 0.75). Data modeling was carried out with a multiparametric model, obtaining an acceptable correlation with a maximum deviation in the compositions of sx = 0.031 for the system water(1)+propyl butanoate(2)+propan-1-ol(3). Estimations with COSMO-RS and UNIFAC differed from experimental values in all cases, especially in the systems containing propan-1-ol, since both models predict a nonreal immiscibility at 298.15 K in the binary water+propan-1-ol. Therefore, the simulation of the extractive process using UNIFAC was not adequate.
ISSN: 0888-5885
DOI: 10.1021/acs.iecr.1c01959
Source: Industrial & Engineering Chemistry Research [ISSN 0888-5885], v. 60 (38), p. 13938-13949
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