Category Archives: Phase Equilibrium Calculations

Procedure to Qualitatively Represent Residue Curve Maps and Analyze the Possible Existence of Distillation Boundaries

The analysis of residue curve maps is essential to know the VLE behavior of a ternary mixture, the possible existence of distillation boundaries and therefore different distillation regions in the ternary composition diagram, and the corresponding areas where the different … Continue reading

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

A new research 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;e17805. DOI: 10.1002/aic.17805). This paper references 3 graphical user interfaces (GUIs), publicly … Continue reading

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GMcal_TieLinesVL (New version v.2.2): Graphical User Interface (GUI) for the Topological Analysis of Experimental and Calculated 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.)

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 GUI, GMcal_TieLinesVL (new version … Continue reading

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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 Liquid -Liquid Equilibrium (LLE) Data

In this link: http://rua.ua.es/dspace/handle/10045/51725, it is possible to acces to a very easy to use Graphical User Interface (GMcal_TieLinesLL v.2.2) based on the topological information contained in the Gibbs energy of mixing function, that has been developed for binary and … Continue reading

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The 4th most cited article published in Fluid Phase Equilibria in 2017-2020 (Scopus 11/2020)

Should we trust all the published LLE correlation parameters in phase equilibria? Necessity of their assessment prior to publication. Volume 433, February 2017, Pages 243-252. RUA: http://hdl.handle.net/10045/66521. A. Marcilla | J. A. Labarta | M. M. Olaya Chemical Engineering Department … Continue reading

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Thermodynamic review of Gibbs Energy of Mixing Topology

In the following link you can find a Thermodynamic introduction about the topology of the Gibbs Energy of Mixing function, and its relevance in the phase equilibrium calculations: http://rua.ua.es/dspace/handle/10045/51725

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web vualà

Hola!, aquí os añado el nuevo enlace a mi web personal en vualà, donde podéis encontrar las principales referencias y enlaces de nuestros últimos trabajos publicados, así como las pricipales comunicaciones a congresos, en el ámbito de la investigación y … Continue reading

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