Comments on the correlation of vapor–liquid equilibrium (VLE) data in azeotropic ternary systems

Abstract

This is a PDF file of an unedited manuscript that has been accepted for publication. As a service to our customers we are providing this early version of the manuscript. The manuscript will undergo copyediting, typesetting, and review of the resulting proof before it is published in its final form. Please note that during the production process errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain. AbstractThe analysis has been carried out of the possible theoretical types of ternary systems regarding the distillation boundaries, for systems involving up to three binary azeotropes and one ternary azeotrope. The study reveals that there are some of these theoretical behaviors that classical activity coefficient models such as NRTL cannot

What does the NRTL model look like? Determination of boundaries for different fluid phase equilibrium regions

“…Specific mathematical restrictions quite useful have also been developed and applied successfully [43][44][45] in the thermodynamic modeling of type 0 (island), type 1, and 2 systems, for systems that had not been previously adjusted using the NRTL model or presented in the literature correlation results inconsistent with the experimenta l behavior of the system. Additionally, different extensions of classical models, such as the NRTL model, can also be found for complex LLE 44 or VLE [46][47][48][49] , and non-azeotropic or azeotropic VLLE [50][51][52] .…”

“…Additionally, different extensions of classical models, such as the NRTL model, can also be found for complex LLE 44 or VLE, [46][47][48][49] and non-azeotropic or azeotropic VLLE. [50][51][52] In the present article, a deep analysis of the NRTL model has been carried out, studying the existence of different liquid-liquid (LL) and vapor-liquid (VL) equilibrium regions and boundaries in the space defined by its binary interaction parameters, for obtaining a clear picture of this model, its possibilities and flexibility. In this sense, the different boundaries observed in the case of the LLE have been mathematically modeled, with the final aim of obtaining relationships between the binary interaction parameters that can be used as constraints for avoiding directly inconsistent results with the experimental behavior of the system under study, when the NRTL model is used in the correlation of experimental equilibrium data.…”