30 citations
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physics.chem-ph2023★ 30 cited
Calculation of Thermodynamic Equilibria with the Predictive Electrolyte Model COSMO-RS-ES: Improvements for Low Permittivity Systems
Simon Müller, Andrés González de Castilla, Christoph Taeschler +2
The predictive electrolyte model COSMO-RS-ES is refined to improve the description of systems at 25°C in which strong ion pairing is expected due to a low static permittivity of th…
cond-mat.stat-mech2023★ 29 cited
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
Simon Müller, Christoph Taeschler, Andreas Klein +1
The new predictive electrolyte model COSMO-RS-ES is evaluated and refined for the calculation of solubilities of salts in mixed solvent systems. It is demonstrated that the model i…