03/20/2024: Thanks a lot for all the interest shown. This paper open access has been one of the most downloaded* during its first 12 months of publication in AIChE Journal (*Among work published in an issue between 1 January 2022 – 31 December 2022).
06/28/2022: A new research open access paper has been published regarding the possibilities and limitations of the nonrandom two-liquids (NRTL) model for reproducing different kinds of fluid phase equilibria (AIChE Journal. 2022, 68(10), e17805. DOI: 10.1002/aic.17805).
This paper references 3 graphical user interfaces (GUIs), publicly available online, to help researchers and professionals that have to deal with experimental LL and LV data correlation (using the NRTL, UNIQUAC or any alternative model):
1. GMcal_TieLinesLL: Graphical User Interface (GUI) for the Topological Analysis of Calculated GM Surfaces and Curves, including Tie-Lines, Hessian Matrix, Spinodal Curve, Critical Point Location, Miscibility Boundaries, etc. for Binary and Ternary LLE Data. Institutional Repository of the University of Alicante (RUA). 2015 (last update 2023). Publicly available at: http://hdl.handle.net/10045/51725.
2. GMcal_TieLinesLV: Graphical User Interface (GUI) for the Topological Analysis of GM Functions for Binary and Ternary (isobaric or isothermal) Vapor-Liquid Equilibrium (VLE) data (including Tie-Lines, Derivatives, Distillation Boundaries, LL Critical Points Location, etc.). Institutional Repository of the University of Alicante (RUA). 2022 (last update 2023). Publicly available at: http://hdl.handle.net/10045/122857.
3. Boundaries_LL_NRTL: Graphical User Interface (GUI) for the Characterization of the NRTL Model: Binary Spinodal Surfaces (in the ti,j-tj,i-xi space), LLE Maps and Miscibility Boundaries. Institutional Repository of the University of Alicante (RUA). 2022. Publicly available at: http://hdl.handle.net/10045/121471.
4. ParamIni_LL_NRTL: Graphical User Interface (GUI) for the Selection of NRTL Initial Parameters for the Correlation of Ternary Liquid-Liquid Equilibrium Data (Type I, II, III and 0 (LL island), i.e. with 1, 2, 3 or 0 binary pairs partially miscible). RUA, 2023: http://hdl.handle.net/10045/130017.
Related references:
*Should we trust all the published LLE correlation parameters in phase equilibria? Necessity of their Assessment Prior to Publication. Fluid Phase Equilibria. 2017, 433, 243-252 (http://dx.doi.org/10.1016/j.fluid.2016.11.009). RUA: http://hdl.handle.net/10045/66521.
*GE Models and Algorithms for Condensed Phase Equilibrium Data Regression in Ternary Systems: Limitations and Proposals. The Open Thermodynamics Journal. 2011, 5, (Suppl 1-M5) 48-62 (http://dx.doi.org/10.2174/1874396X01105010048).
* Checking Liquid-Liquid Critical Point Conditions and their Application in Ternary Systems. Industrial & Engineering Chemistry Research. 2012, 51(13), 5098-5102 (http://dx.doi.org/10.1021/ie202793r).
*LLE data correlation using NRTL model for different types of binary systems: UCST, LCST and closed miscibility loops. Industrial & Engineering Chemistry Research. 2020, 59(17), 8469-8479 (https://doi.org/10.1021/acs.iecr.0c00141).
* Procedure for the correlation of normal appearance VLE data, where the classical models dramatically fail with no apparent reason. Fluid Phase Equilibria. 2019, 493, 88-101. DOI: https://doi.org/10.1016/j.fluid.2019.04.001.
* The unavoidable necessity of considering temperature dependence of the liquid Gibbs energy of mixing for certain VLE data correlations. Fluid Phase Equilibria. 2018, 473, 17-31. DOI: https://doi.org/10.1016/j.fluid.2018.05.025.
* Approximate Calculation of Distillation Boundaries for Ternary Azeotropic Systems. Ind. Eng. Chem. Res. 2011, 50 (12), 7462-7466. DOI: http://dx.doi.org/10.1021/ie101873.
* Numerical Determination of Distillation Boundaries for Multicomponent Homogeneous and Heterogeneous Azeotropic Systems. Computer Aided Chemical Engineering. 2010, 28(C), 643-648. DOI: http://dx.doi.org/10.1016/S1570-7946(10)28108-7.
* Procedure to Qualitatively Represent Residue Curve Maps and Analyze the Possible Existence of Distillation Boundaries. RUA, 2023: http://hdl.handle.net/10045/131058.
* Liquid-Liquid Equilibrium Data Correlation: Predicting A Robust and Consistent Set of Initial NRTL Parameters. RUA, 2023: http://hdl.handle.net/10045/134753.