Pitfalls in the Evaluation of the Thermodynamic Consistency of Experimental VLE Data Sets
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Título: | Pitfalls in the Evaluation of the Thermodynamic Consistency of Experimental VLE Data Sets |
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Autor/es: | Marcilla, Antonio | Olaya, Maria del Mar | Serrano Cayuelas, María Dolores | Garrido, María A. |
Grupo/s de investigación o GITE: | Procesado y Pirólisis de Polímeros | Residuos, Pirólisis y Combustión |
Centro, Departamento o Servicio: | Universidad de Alicante. Departamento de Ingeniería Química | Universidad de Alicante. Instituto Universitario de Ingeniería de los Procesos Químicos |
Palabras clave: | Thermodynamic consistency | VLE data sets |
Área/s de conocimiento: | Ingeniería Química |
Fecha de publicación: | 29-jul-2013 |
Editor: | American Chemical Society |
Cita bibliográfica: | Industrial & Engineering Chemistry Research. 2013, 52(36): 13198-13208. doi:10.1021/ie401646j |
Resumen: | The thermodynamic consistency of almost 90 VLE data series, including isothermal and isobaric conditions for systems of both total and partial miscibility in the liquid phase, has been examined by means of the area and point-to-point tests. In addition, the Gibbs energy of mixing function calculated from these experimental data has been inspected, with some rather surprising results: certain data sets exhibiting high dispersion or leading to Gibbs energy of mixing curves inconsistent with the total or partial miscibility of the liquid phase, surprisingly, pass the tests. Several possible inconsistencies in the tests themselves or in their application are discussed. Related to this is a very interesting and ambitious initiative that arose within the NIST organization: the development of an algorithm to assess the quality of experimental VLE data. The present paper questions the applicability of two of the five tests that are combined in the algorithm. It further shows that the deviation of the experimental VLE data from the correlation obtained by a given model, the basis of some point-to-point tests, should not be used to evaluate the quality of these data. |
Patrocinador/es: | We gratefully acknowledge financial support from the Vice-Presidency of Research (University of Alicante, Spain). |
URI: | http://hdl.handle.net/10045/40346 |
ISSN: | 0888-5885 (Print) | 1520-5045 (Online) |
DOI: | 10.1021/ie401646j |
Idioma: | eng |
Tipo: | info:eu-repo/semantics/article |
Derechos: | © 2013 American Chemical Society |
Revisión científica: | si |
Versión del editor: | http://dx.doi.org/10.1021/ie401646j |
Aparece en las colecciones: | INV - REMAN - Artículos de Revistas INV - GTP3 - Artículos de Investigación sobre Pirólisis Catalítica de Polímeros |
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Archivo | Descripción | Tamaño | Formato | |
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2013_Marcilla_etal_IECR_final.pdf | Versión final (acceso restringido) | 2,3 MB | Adobe PDF | Abrir Solicitar una copia |
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