Andrés González de Castilla, M.Sc.

Research


The aim of the present work is to extend the applicability of the predictive electrolyte model COSMO-RS-ES to systems containing large polyatomic ions, like ionic liquids and salt-based deep eutectic solvents. Experimental and theoretical work on the behavior, structure and modelling of these systems will be conducted. 

Teaching


  • Exercise Thermodynamics III (summer term)


Publications




Posters and presentations


  • A. González de Castilla, S. Müller, I. Smirnova
    A Gibbs-Duhem consistent extension of the Pitzer-Debye-Hückel term for dielectric decrement and underscreening
    Thermodynamik-Kolloquium 2021, Online/Hamburg, 2021

  • A. González de Castilla, S. Müller, I. Smirnova
    A modified closest approach parameter for the PDH term to address underscreening in low dielectric constants
    European Symposium on Applied Thermodynamics 2021, Online/Hamburg, 2021

  • S. Müller, A. Castilla, I. Smirnova
    Refinement of the Predictive Electrolyte Model COSMO-RS-ES: General Improvements and Application to the Calculation of pKa Values
    Thermodynamik–Kolloquium, Duisburg, Germany, 2019