Thermodynamic modeling using Extended UNIQUAC and COSMO-RS-ES models: Case study of the cesium nitrate - water system over a large range of temperatures
arXiv:2401.01144 · doi:10.1016/j.fluid.2024.114037
Abstract
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.
References in corpus (4)
- Calculation of Thermodynamic Equilibria with the Predictive Electrolyte Model COSMO-RS-ES: Improvements for Low Permittivity Systems
- Evaluation and Refinement of the novel predictive electrolyte model COSMO-RS-ES based on solid-liquid equilibria of salts and Gibbs free Energies of Transfer of Ions
- On the analogy between the restricted primitive model and capacitor circuits: Semi-empirical alternatives for over- and underscreening in the calculation of mean ionic activity coefficients
- Impact of extended long-range electrostatics on the correlation of liquid-liquid equilibria in aqueous ionic liquid systems