Thermodynamic modeling using Extended UNIQUAC and COSMO-RS-ES models: Case study of the cesium nitrate - water system over a large range of temperatures
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arXiv
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| Hauptverfasser: | , , , |
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| Format: | Preprint |
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2024
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| _version_ | 1866909077410414592 |
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| author | Arrad, Mouad Thomsen, Kaj Müller, Simon Smirnova, Irina |
| author_facet | Arrad, Mouad Thomsen, Kaj Müller, Simon Smirnova, Irina |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2401_01144 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Thermodynamic modeling using Extended UNIQUAC and COSMO-RS-ES models: Case study of the cesium nitrate - water system over a large range of temperatures Arrad, Mouad Thomsen, Kaj Müller, Simon Smirnova, Irina Soft Condensed Matter Chemical Physics Computational Physics 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. |
| title | Thermodynamic modeling using Extended UNIQUAC and COSMO-RS-ES models: Case study of the cesium nitrate - water system over a large range of temperatures |
| topic | Soft Condensed Matter Chemical Physics Computational Physics |
| url | https://arxiv.org/abs/2401.01144 |