Simultaneous VLLE data correlation for ternary systems: Modification of the NRTL equation for improved calculations

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Title: Simultaneous VLLE data correlation for ternary systems: Modification of the NRTL equation for improved calculations
Authors: Marcilla, Antonio | Olaya, Maria del Mar | Reyes-Labarta, Juan A.
Research Group/s: Procesado y Pirólisis de Polímeros | Computer Optimization of Chemical Engineering Processes and Technologies (CONCEPT)
Center, Department or Service: Universidad de Alicante. Departamento de Ingeniería Química | Universidad de Alicante. Instituto Universitario de Ingeniería de los Procesos Químicos
Keywords: Vapour–liquid–liquid equilibrium | VLLE | VLE | NRTL model | Simultaneous correlation
Knowledge Area: Ingeniería Química
Issue Date: 25-Oct-2016
Publisher: Elsevier
Citation: Fluid Phase Equilibria. 2016, 426: 47-55. doi:10.1016/j.fluid.2015.12.047
Abstract: Simultaneous correlation of vapour–liquid–liquid equilibrium (VLLE) data is hardly ever attempted in literature with one common set of parameters for all the equilibrium regions present in the systems. It is common practice to obtain different sets of parameters for VLE, LLE and VLLE regions when experimental equilibrium data for ternary systems are fitted with a given model (e.g. an activity coefficient model for the liquid phase). Besides, when dealing with the correlation of VLE for ternary systems, it is quite frequent to obtain different sets of parameters for each one of the three binary subsystems from those obtained when exclusively binary VLE data are correlated. In the present work, the simultaneous correlation of all the equilibrium regions in the ternary VLL system is attempted. The objective function and the restrictions of the system are clearly presented. In addition, a simple modification of the NRTL equation for the Gibbs energy of mixing (GM) is proposed including a ternary term and a binary correction based on the Wohl equation. This modification has significantly improved the quality of the results obtained in the simultaneous correlation of different equilibrium regions.
URI: http://hdl.handle.net/10045/57677
ISSN: 0378-3812 (Print) | 1879-0224 (Online)
DOI: 10.1016/j.fluid.2015.12.047
Language: eng
Type: info:eu-repo/semantics/article
Rights: © 2016 Published by Elsevier B.V.
Peer Review: si
Publisher version: http://dx.doi.org/10.1016/j.fluid.2015.12.047
Appears in Collections:INV - CONCEPT - Artículos de Revistas
INV - GTP3 - Artículos de Investigación sobre Equilibrio entre Fases

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