Benchmark Database Containing Binary-System-High-Quality- Certified Data for Cross-Comparing Thermodynamic Models and Assessing Their Accuracy - Université de Lorraine Access content directly
Journal Articles Industrial and engineering chemistry research Year : 2020

Benchmark Database Containing Binary-System-High-Quality- Certified Data for Cross-Comparing Thermodynamic Models and Assessing Their Accuracy

Abstract

In the last two centuries, equations of state (EoSs) have become a key tool for the correlation and prediction of thermodynamic properties of fluids. They not only can be applied to pure substances as well as to mixtures but also constitute the heart of commercially available computer-aided-process-design software. In the last 20 years, thousands of publications have been devoted to the development of sophisticated models or to the improvement of already existing EoSs. Chemical engineering thermodynamics is thus a field under steady development, and to assess the accuracy of a thermodynamic model or to cross-compare two models, it is necessary to confront model predictions with experimental data. In this context, the importance of a reliable free-to-access benchmark database is pivotal and becomes absolutely necessary. The goal of this paper is thus to present a database, specifically designed to assess the accuracy of a thermodynamic model or cross-compare models, to explain how it was developed and to enlighten how to use it. A total of 200 nonelectrolytic binary systems have been selected and divided into nine groups according to the associating character of the components, i.e., their ability to be involved in a hydrogen bond (the nature and strength of the association phenomena are indeed considered a measure of the complexity to model the thermodynamic properties of mixtures). The methodology for assessing the performance of a given model is then described. As an illustration, the Peng− Robinson EoS with classical van der Waals mixing rules and a temperature-dependent binary interaction parameter (k ij) have been used to correlate the numerous data included in the proposed database, and its performance has been assessed following the proposed methodology.
Fichier principal
Vignette du fichier
P166_Benchmark Database for Cross-Comparing Thermodynamic Models and Assessing Their Accuracy.pdf (2.9 Mo) Télécharger le fichier
ie0c01734_si_001.xlsx (2.06 Mo) Télécharger le fichier
ie0c01734_si_002.xlsx (26.14 Mo) Télécharger le fichier
ie0c01734_si_003.xlsx (18.31 Mo) Télécharger le fichier
ie0c01734_si_004.xlsx (8.37 Mo) Télécharger le fichier
ie0c01734_si_005.xlsx (10.71 Mo) Télécharger le fichier
ie0c01734_si_006.xlsx (13.69 Mo) Télécharger le fichier
ie0c01734_si_007.xlsx (9.86 Mo) Télécharger le fichier
ie0c01734_si_008.xlsx (3.72 Mo) Télécharger le fichier
ie0c01734_si_009.xlsx (17.55 Mo) Télécharger le fichier
ie0c01734_si_010.xlsx (13.87 Mo) Télécharger le fichier
ie0c01734_si_011.pdf (103.06 Mo) Télécharger le fichier
Origin : Files produced by the author(s)
Loading...

Dates and versions

hal-02921996 , version 1 (25-08-2020)

Licence

Attribution - NonCommercial - NoDerivatives

Identifiers

Cite

Jean-Noel Jaubert, Yohann Le Guennec, Andreś Pinã-Martinez, Nicolas Ramirez-Velez, Silvia Lasala, et al.. Benchmark Database Containing Binary-System-High-Quality- Certified Data for Cross-Comparing Thermodynamic Models and Assessing Their Accuracy. Industrial and engineering chemistry research, 2020, 59 (33), pp.14981-15027. ⟨10.1021/acs.iecr.0c01734⟩. ⟨hal-02921996⟩
233 View
1549 Download

Altmetric

Share

Gmail Facebook Twitter LinkedIn More