11 Einträge gefunden

1. 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
2. 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
3. Modeling the solubility of CO₂ in aqueous methyl diethanolamine solutions with an electrolyte model based on COSMO-RS

   1. Gerlach, Thomas
   2. Ingram, Thomas
   3. Sieder, Georg
   4. Smirnova, Irina

   2018 - TUHH Open Research
4. Solute partitioning in micelles: combining molecular dynamics simulations, COSMOmic, and experiments

   1. Yordanova, Denitsa
   2. Ritter, Eric
   3. Gerlach, Thomas
   4. Jensen, Jan-Hendrik
   5. Smirnova, Irina
   6. Jakobtorweihen, Sven

   2017 - TUHH Open Research
5. Molecular dynamics simulations of various micelles to predict micelle water partition equilibria with COSMOmic: Influence of micelle size and structure

   1. Ritter, Eric
   2. Yordanova, Denitsa
   3. Gerlach, Thomas
   4. Smirnova, Irina
   5. Jakobtorweihen, Sven

   2016 - TUHH Open Research
6. Experimental determination of the LLE data of systems consisting of hexane + benzene + deep eutectic solvent and prediction using the Conductor-like Screening Model for Real Solvents

   1. Rodriguez, Nerea R.
   2. Gerlach, Thomas
   3. Scheepers, Daniëlle
   4. Kroon, Maaike C.
   5. Smirnova, Irina

   2016 - TUHH Open Research
7. 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
8. Liquid-Liquid Equilibria of Quaternary Systems Composed of 1,3-Propanediol, Short-Chain Alcohol, Water, and Salt

   1. Gerlach, Thomas
   2. Smirnova, Irina

   2016 - TUHH Open Research
9. Salt influence on MIBK/water liquid-liquid equilibrium: measuring and modeling with ePC-SAFT and COSMO-RS

   1. Mohammad, Sultan
   2. Held, Christoph
   3. Altuntepe, Emrah
   4. Köse, Tülay
   5. Gerlach, Thomas
   6. Smirnova, Irina
   7. Sadowski, Gabriele

   2015 - TUHH Open Research
10. Predicting solute partitioning in lipid bilayers: Free energies and partition coefficients from molecular dynamics simulations and COSMOmic

    1. Jakobtorweihen, Sven
    2. Zuniga, A. Chaides
    3. Ingram, Thomas
    4. Gerlach, Thomas
    5. Keil, Frerich
    6. Smirnova, Irina

    2014 - TUHH Open Research
11. Extension of COSMO-RS for monoatomic electrolytes: modeling of liquid-liquid equilibria in presence of salts

    1. Ingram, Thomas
    2. Gerlach, Thomas
    3. Mehling, Tanja
    4. Smirnova, Irina

    2011 - TUHH Open Research