Pitfalls in the Evaluation of the Thermodynamic Consistency of Experimental VLE Data Sets

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Title: Pitfalls in the Evaluation of the Thermodynamic Consistency of Experimental VLE Data Sets
Authors: Marcilla, Antonio | Olaya, Maria del Mar | Serrano Cayuelas, María Dolores | Garrido, María A.
Research Group/s: Procesado y Pirólisis de Polímeros | Residuos, Pirólisis y Combustión
Center, Department or Service: Universidad de Alicante. Departamento de Ingeniería Química | Universidad de Alicante. Instituto Universitario de Ingeniería de los Procesos Químicos
Keywords: Thermodynamic consistency | VLE data sets
Knowledge Area: Ingeniería Química
Issue Date: 29-Jul-2013
Publisher: American Chemical Society
Citation: Industrial & Engineering Chemistry Research. 2013, 52(36): 13198-13208. doi:10.1021/ie401646j
Abstract: 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.
Sponsor: 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
Language: eng
Type: info:eu-repo/semantics/article
Rights: © 2013 American Chemical Society
Peer Review: si
Publisher version: http://dx.doi.org/10.1021/ie401646j
Appears in Collections:INV - REMAN - Artículos de Revistas
INV - GTP3 - Artículos de Investigación sobre Pirólisis Catalítica de Polímeros

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