GMcal_TieLinesVL (New version v.2): Graphical User Interface (GUI) for the topological analysis of experimental and calculated gm functions (including tie-lines, derivatives, etc.) for binary (isobaric or isothermal) vapor-liquid equilibrium (VLE) data

Similar to previous MatLab Graphical User Interfaces (GUI’s) developed to systematically check the consistency of LLE data correlation results, GMcal_TieLinesLL (v.2.2), or Boundaries_LL_NRTL for the analysis of the miscibility boundaries that the NRTL model present, this third GUI, GMcal_TieLinesVL (new version v.2 RUA 2022: http://hdl.handle.net/10045/122857), allows the analysis of experimental and calculated (isobaric or isothermal) vapor-liquid equilibrium data for binary ans ternary systems, in the sense presented in the following papers, to detect the necessity of considering larger dependences (of temperature or pressure, respectively) in the binary interaction parameters of the model used (e.g. NRTL model) and also to check the consistency of VLE data correlation results through the topological information contained in the Gibbs energy of mixing function:

  • 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.
  • 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).

This analysis allows researchers involved in the correlation of experimental vapor-liquid equilibrium data, to visualize the  experimental data’s  behavior and also the consistency and quality of the results obtained in the correlation process.

Related references:

Marcilla, A.; Labarta, J.A.; Olaya, M.M. 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). The 4th most cited article published in Fluid Phase Equilibria in 2017-2020 (extracted from Scopus 11/2020). Research Gate.

Labarta, J.A.; Olaya, M.M.; Marcilla, A. GMcal_TieLinesLL v.2.2. Graphical User Interface (GUI) for the representation of GM surfaces and curves (for binary and ternary systems), including tie-lines, Hessian Matrix analysis, Plait Point location, etc.  Institutional Repository of the University of Alicante (RUA) 2015-2022. (http://hdl.handle.net/10045/51725). (Including a Thermodynamic Review).

Marcilla, A.; Labarta, J.A.; Serrano M.D.; Olaya, M.M. 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).

Labarta, J.A.; Olaya, M.M.; Marcilla, A. Boundaries_LL_NRTL Graphical User Interface (GUI) for the characterization of the NRTL model: Binary Spinodal Surfaces (in the τi,jj,i-xi space), LLE maps and Miscibility Boundaries. Institutional Repository of the University of Alicante (RUA) 2022. (http://hdl.handle.net/10045/121471).

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