Thermodynamic modeling using extended UNIQUAC and COSMO-RS-ES models : case study of the cesium nitrate-water system over a large range of temperatures

Publikationstyp
Journal Article
Publikationsdatum
2024-05-01
Sprache
English
Author
Arrad, Mouad
Thomsen, Kaj
Müller, Simon orcid-logo
Thermische Verfahrenstechnik V-8 
Smirnova, Irina orcid-logo
Thermische Verfahrenstechnik V-8 
TORE-URI
https://hdl.handle.net/11420/46092
Enthalten in
Fluid phase equilibria 
Volume
580
Article Number
114037
Citation
Fluid Phase Equilibria 580: 114037 (2024)
Publisher DOI
10.1016/j.fluid.2024.114037
Scopus ID
2-s2.0-85184080479
A comparison of two thermodynamic models is presented using the water-cesium nitrate system as case study. Both models were able to model the thermodynamic properties such as the osmotic coefficient, vapor pressure, mean activity coefficient and solubility with good accuracy. We show that it is possible to reproduce the temperature dependency of the properties using a simple set of parameters in the case of Extended UNIQUAC. Furthermore, COSMO-RS-ES is a completely predictive model adjusted to data at 298.15 K, which is applied for the first time to other temperatures.
Schlagworte
Application of model
Cesium nitrate
COSMO-RS-ES
Electrolyte solution
Extended UNIQUAC
DDC Class
530: Physics
620: Engineering