A Model-Free Approach Data Treatment of Vapor−Liquid Equilibrium Data in Ternary Systems. 1. Theory and Numerical Procedures

Abstract

A new data treatment approach for ternary systems is presented. The method is a model-free technique based on Barker's equation and integration of the Gibbs−Duhem relation. It yields numerical information for the excess Gibbs energy and activity coefficients of a ternary system and its constituent binaries. Depending on the availability of data, the method is applicable to completely miscible isothermal or isobaric systems in vapor−liquid equilibrium, at low pressures, and is useful for selecting a G E model able to correlate accurately the data. Physical constraints for the curvature of the bubble surface in the vicinity of multicomponent azeotropic concentrations are deduced from the displacement theory. The relation of these constraints with the model-free approach is discussed.

Measurements and Correlation of Isobaric Vapor–Liquid Equilibrium Data for Binary Mixtures of Furan, Oxolane, and Furan-2-Carbaldehyde and Application of the Binary Model Parameters for Further Prediction of the Ternary System

“…However, Wisniak’s group applied the new model-free computation method and boundary conditions to the VLE data for azeotropic systems . Moreover, Segura and co-workers presented a model-free strategy to deal with VLE data of ternary systems. , In addition, our group reported that the model-free technique was widely applied to distillation separation for the associating system of organic acid in the chemical industry. − …”

Computation of Isobaric Vapor-Liquid Equilibrium Data for Binary and Ternary Mixtures of Methanol, Water, and Ethanoic Acid from T, p, x, and Gao1, Zhang2, Lücking3 et al. 2012Journal of Thermodynamics

“…Wisniak's group has developed that the novel model-free computation techniques and limiting conditions have been applied to VLE data for azeotropic systems [42]. Moreover, Segura and coworkers reported that a modelfree approach dealt with VLE data in application of ternary systems [38,43]. For the three binary systems of this study, the activity coefficients were correlated with the NRTL [39], Wilson [40], Margules [41], and van Laar [44] equations, respectively.…”

Estimation of Activity Coefficients for binary mixture VLE Data using MATLAB

“…It was suggested by Wisniak's group that novel model-free computation techniques and limiting conditions have been applied for azeotropic systems [3]. But Segura and coworkers stated that model-free approach dealt with VLE data in application of ternary systems [4,5]. In this paper, for all three binary systems, activity coefficients were correlated with Wilson [6], Margules [7], NRTL [8] and Van-Laar [9] equations.…”