Procedure for the correlation of normal appearance VLE data, where the classical models dramatically fail with no apparent reason
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Título: | Procedure for the correlation of normal appearance VLE data, where the classical models dramatically fail with no apparent reason |
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Autor/es: | Marcilla, Antonio | Olaya, Maria del Mar | Labarta, Juan A. | Carbonell Hermida, Paloma |
Grupo/s de investigación o GITE: | Procesado y Pirólisis de Polímeros | Computer Optimization of Chemical Engineering Processes and Technologies (CONCEPT) |
Centro, Departamento o Servicio: | Universidad de Alicante. Departamento de Ingeniería Química | Universidad de Alicante. Instituto Universitario de Ingeniería de los Procesos Químicos |
Palabras clave: | Activity coefficient model | NRTL | VLE | Phase equilibrium | Data correlation |
Área/s de conocimiento: | Ingeniería Química |
Fecha de publicación: | 1-ago-2019 |
Editor: | Elsevier |
Cita bibliográfica: | Fluid Phase Equilibria. 2019, 493: 88-101. doi:10.1016/j.fluid.2019.04.001 |
Resumen: | The necessity of using a pressure (P) or temperature (T) dependence in the Gibbs energy of mixing of the liquid phase (gM,L) for some isothermal (or isobaric) VLE data sets, respectively, is discussed in this paper. A graphical representation, directly obtained from the experimental data, is proposed as a method to clearly classify the behaviour of the systems and select the adequate model (i.e. including when appropriate the T or P dependence) to correlate them. The result is that many of the poorly fitted systems in the literature could be precisely modelled using the correct procedure with adequate functions of P or T. Some suitable examples are used to illustrate the validity of these ideas, providing satisfactory correlation results for those systems in the literature. The ideas presented in this paper reveal important aspects related to the inappropriate application of some thermodynamic consistency (TC) tests to evaluate the quality of VLE data sets. |
URI: | http://hdl.handle.net/10045/91554 |
ISSN: | 0378-3812 (Print) | 1879-0224 (Online) |
DOI: | 10.1016/j.fluid.2019.04.001 |
Idioma: | eng |
Tipo: | info:eu-repo/semantics/article |
Derechos: | © 2019 Elsevier B.V. |
Revisión científica: | si |
Versión del editor: | https://doi.org/10.1016/j.fluid.2019.04.001 |
Aparece en las colecciones: | INV - CONCEPT - Artículos de Revistas INV - GTP3 - Artículos de Investigación sobre Equilibrio entre Fases |
Archivos en este ítem:
Archivo | Descripción | Tamaño | Formato | |
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2019_Marcilla_etal_FluidPhaseEquilibria_final.pdf | Versión final (acceso restringido) | 3,44 MB | Adobe PDF | Abrir Solicitar una copia |
2019_Marcilla_etal_FluidPhaseEquilibria_accepted.pdf | Accepted Manuscript (acceso abierto) | 3,21 MB | Adobe PDF | Abrir Vista previa |
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