90 citations · 208 across the 7 of their papers we have counts for
4 papers · 1 filter
Confidence Interval and Uncertainty Propagation Analysis of SAFT-type Equations of State
Pierre J. Walker, Simon Mueller, Irina Smirnova
Thermodynamic models and, in particular, SAFT-type equations are vital in characterizing complex systems. This paper presents a framework for sampling parameter distributions in PC…
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…