Thermodynamic Consistency in the Modeling of Speciation in Self-Complexing Electrolytes - Sorbonne Université Accéder directement au contenu
Article Dans Une Revue Industrial and engineering chemistry research Année : 2017

Thermodynamic Consistency in the Modeling of Speciation in Self-Complexing Electrolytes

Résumé

The speciation in aqueous solutions of complexing electrolytes is an important topic in environmental, toxicological and sometimes industrial issues. Its determination requires an estimation of the deviations from ideality which originate from association effects, and excluded volume and electrostatic interactions between the various species. Modeling of such solutions is often based on the use of commonly accepted values for the complex formation constants and of the Davies equation to compute the activity coefficients of the species in solution. In this work, it is shown that this treatment may result in a thermodynamic inconsistency when moderately concentrated solutions of multiply self-complexing salts are considered. This observation casts some doubt on the determination of the speciation in such solutions. Occurrence of this shortcoming is illustrated in the case of zinc and cadmium halides. This finding suggests that the description of deviations from ideality (besides association) should be improved. It also reveals that available complexity constants for some common salts might not always have optimum values in the literature.
Fichier principal
Vignette du fichier
Simonin_2017_Thermodynamic.pdf (241.18 Ko) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)
Loading...

Dates et versions

hal-01581827 , version 1 (05-09-2017)

Identifiants

Citer

Jean-Pierre Simonin. Thermodynamic Consistency in the Modeling of Speciation in Self-Complexing Electrolytes. Industrial and engineering chemistry research, 2017, 56 (34), pp.9721-9733. ⟨10.1021/acs.iecr.7b01965⟩. ⟨hal-01581827⟩
110 Consultations
306 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More