19 Einträge gefunden

1. Dualistic Role of Alcohol in Micelle Formation and Structure from iSAFT Based Density Functional Theory and COSMOplex

   1. Lu, Jinxin
   2. González de Castilla, Andrés
   3. Müller, Simon
   4. Xi, Shun
   5. Chapman, Walter G.

   2023 - TUHH Open Research
2. 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
3. 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
4. Design of a green chemoenzymatic cascade for scalable synthesis of bio-based styrene alternatives

   1. Petermeier, Philipp
   2. Bittner, Jan Philipp
   3. Müller, Simon
   4. Byström, Emil
   5. Kara, Selin

   2022 - TUHH Open Research - frei zugänglich
5. 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
6. Deep Eutectic Solvents for the Enzymatic Synthesis of Sugar Esters: A Generalizable Strategy?

   1. Semproli, Riccardo
   2. Chanquia, Santiago Nahuel
   3. Bittner, Jan Philipp
   4. Müller, Simon
   5. Domínguez de María, Pablo
   6. Kara, Selin
   7. Ubiali, Daniela

   2022 - TUHH Open Research
7. Physicochemical characterization and simulation of the solid-liquid equilibrium phase diagram of terpene-based eutectic solvent systems

   1. Abdallah, Maha M.
   2. Müller, Simon
   3. González de Castilla, Andrés
   4. Gurikov, Pavel
   5. Matias, Ana A.
   6. Rosário Bronze, Maria do
   7. Fernández, Naiara

   2021 - TUHH Open Research - frei zugänglich
8. 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
9. 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
10. 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
11. Artificial neural networks for quantitative online NMR spectroscopy

    1. Kern, Simon
    2. Liehr, Sascha
    3. Wander, Lukas
    4. Bornemann-Pfeiffer, Martin
    5. Müller, Simon
    6. Maiwald, Michael
    7. Kowarik, Stefan

    2020 - TUHH Open Research - frei zugänglich
12. Application and refinement of COSMO-RS-ES for calculating phase equilibria of electrolyte systems at high concentrations in mixed and non-aqueous solvents

    1. Müller, Simon

    2020 - TUHH Open Research - frei zugänglich
13. 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
14. 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
15. Flexible heuristic algorithm for automatic molecule fragmentation : application to the UNIFAC group contribution model

    1. Müller, Simon

    2019 - TUHH Open Research - frei zugänglich
16. 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
17. Smart communication and relative localization system for firefighters and rescuers

    1. Lurz, Fabian
    2. Müller, Simon
    3. Lindner, Stefan
    4. Linz, Sarah
    5. Gardill, Markus
    6. Weigel, Robert
    7. Kölpin, Alexander

    2017 - TUHH Open Research
18. 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
19. 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