Andrés González de Castilla

An open source COSMO-RS implementation and parameterization supporting the efficient implementation of multiple segment descriptors

Thomas Gerlach, Simon Müller, Andrés González de Castilla · Fluid Phase Equilibria · 2022 · 64 citations

Geometric Modeling, Multiple Segment Descriptors, Image Analysis +13

Physicochemical Characterization and Simulation of the Solid–Liquid Equilibrium Phase Diagram of Terpene-Based Eutectic Solvent Systems

Maha M. Abdallah, Simon Müller, Andrés González de Castilla et al. · Molecules · 2021 · 38 citations · Full text

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, Andrés González de Castilla, Christoph Taeschler et al. · Fluid Phase Equilibria · 2018 · 28 citations · Full text

Materials Science, Solid-state Ionic, Chemical Engineering +11

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 et al. · Fluid Phase Equilibria · 2019 · 28 citations · Full text

Thermodynamic Modelling, Engineering, Physics +6

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 · Journal of Molecular Liquids · 2020 · 14 citations · Full text

Electrical Engineering, Capacitor Circuits, Engineering +10