11 Einträge gefunden

1. Impact of extended long-range electrostatics on the correlation of liquid-liquid equilibria in aqueous ionic liquid systems

   1. Marques, Hugo
   2. González de Castilla, Andrés
   3. Müller, Simon
   4. Smirnova, Irina

   2023 - TUHH Open Research
2. An open source COSMO-RS implementation and parameterization supporting the efficient implementation of multiple segment descriptors

   1. Gerlach, Thomas
   2. Müller, Simon
   3. de Castilla, Andrés González
   4. Smirnova, Irina

   2022 - TUHH Open Research
3. On the analogy between the restricted primitive model and capacitor circuits. Part II: A generalized Gibbs-Duhem consistent extension of the Pitzer-Debye-Hückel term with corrections for low and variable relative permittivity

   1. González de Castilla, Andrés
   2. Müller, Simon
   3. Smirnova, Irina

   2022 - TUHH Open Research
4. 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

   1. González de Castilla, Andrés
   2. Müller, Simon
   3. Smirnova, Irina

   2021 - TUHH Open Research
5. Thermodynamic and transport properties modeling of deep eutectic solvents: a review on gE-models, equations of state, and molecular dynamics

   1. González de Castilla, Andrés
   2. Bittner, Jan Philipp
   3. Müller, Simon
   4. Jakobtorweihen, Sven
   5. Smirnova, Irina

   2020 - TUHH Open Research
6. Calculation of thermodynamic equilibria with the predictive electrolyte model COSMO-RS-ES: Improvements for low permittivity systems

   1. Müller, Simon
   2. González de Castilla, Andrés
   3. Taeschler, Christoph
   4. Klein, Andreas
   5. Smirnova, Irina

   2020 - TUHH Open Research
7. Prediction of Solvation Free Energies of Ionic Solutes in Neutral Solvents

   1. Kröger, Leif C.
   2. Müller, Simon
   3. Smirnova, Irina
   4. Leonhard, Kai

   2020 - TUHH Open Research
8. 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

   1. Müller, Simon
   2. González de Castilla, Andrés
   3. Taeschler, Christoph
   4. Klein, Andreas
   5. Smirnova, Irina

   2019 - TUHH Open Research
9. Development of a COSMO-RS based model for the calculation of phase equilibria in electrolyte systems

   1. Gerlach, Thomas
   2. Müller, Simon
   3. Smirnova, Irina

   2018 - TUHH Open Research
10. Influence of inorganic salts on the phase equilibrium of triton X-114 aqueous two-phase systems

    1. Ritter, Eric
    2. Racheva, Ralena Rumenova
    3. Storm, Sandra
    4. Müller, Simon
    5. Ingram, Thomas
    6. Smirnova, Irina

    2016 - TUHH Open Research
11. Extension of COSMO-RS for the prediction of the salt effect on liquid-liquid equilibria

    1. Gerlach, Thomas
    2. Müller, Simon
    3. Smirnova, Irina

    2016 - TUHH Open Research - frei zugänglich