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

Abstract

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Simplified Approach to the Parameterization of the NRTL Model for Partially Miscible Binary Systems: Tττ LLE Methodology

“…An investigation found that the possibly problematic behavior may be predicted when a BIP value is above 15 for α ij = 0.20. A similar investigation was recently presented and identified the same behavior where multiple LLE regions may be predicted . However, such behavior was reported at BIP values of above 10 (e.g., (11;11)), for α ij = 0.20, based on the number of inflection points present in the Gibbs free energy of mixing of the system.…”

“…Other works have treated α ij as a purely empirical parameter regressed to the experimental data. , For the correlation of miscible VLE, α ij values of 0.20 to 0.47 are widely used and recommended . As such, the miscibility boundaries for these popular α ij values were recently presented in a previous work with convenient equations thereof subsequently presented by Labarta et al While the miscibility boundaries for α ij values of 0.20 to 0.50 are generally similar to that presented in Figure , notable differences are observed within the region of τ ij between −2 and 4 as α ij increases beyond 0.30. This is of particular importance for the prediction of common homogeneous minimum boiling azeotropic behavior as the BIPs largely occur within this region, as will be shown and discussed in future work.…”

“…A similar investigation was recently presented and identified the same behavior where multiple LLE regions may be predicted. 20 However, such behavior was reported at BIP values of above 10 (e.g., (11;11)), for α ij = 0.20, based on the number of inflection points present in the Gibbs free energy of mixing of the system. An evaluation of the phase behavior of systems with both BIP values between 10 and 15 found that while more than two compositions have a value of zero for the second derivative of the Gibbs free energy of mixing, only a single stable LLE solution is found that adheres to the tangent plane criterion discussed above.…”

Liquid–Liquid Equilibrium Measurement for the Separation of n-Propanol + n-Propyl Acetate Using Imidazolium-Based Ionic Liquids with Different Anions at T = 303.15 K

“…30−32 However, a considerable number of published LLE correlation parameters are incoherent with the experimental data, and it is essential to verify the correlated parameters. 33 Hereto, Marcilla 34 and Reyes-Labarta 35 provided some strategies, and Reyes-Labarta 36 developed a graphical user interface for LLE systems to systematically check the consistency.…”

“…The nonrandom two-liquid (NRTL) model is one of the most extensively used models in multicomponent systems, and many studies have applied the NRTL model to the correlation of LLE. − However, a considerable number of published LLE correlation parameters are incoherent with the experimental data, and it is essential to verify the correlated parameters . Hereto, Marcilla and Reyes-Labarta provided some strategies, and Reyes-Labarta developed a graphical user interface for LLE systems to systematically check the consistency.…”