90 citations · 164 across the 4 of their papers we have counts for
4 papers
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
Andrés González de Castilla, Simon Müller, Irina Smirnova
The analogy between the restricted primitive model and capacitor circuits, originally described decades ago for the Mean Spherical Approximation, is explored to demonstrate its tra…
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…
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…
Thermodynamic and Transport Properties Modeling of Deep Eutectic Solvents: A review on gE-models, equations of state and molecular dynamics
Andrés González de Castilla, Jan Philipp Bittner, Simon Müller +2
Deep eutectic solvents (DESs) have gained attention in recent years as attractive alternatives to traditional solvents. There is a growing number of publications dealing with the t…