Results 1-12 of 12

Issue DateTitleTypeAuthor(s)
123-Mar-2021Fulltext availableOpen AccessPhysicochemical characterization and simulation of the solid-liquid equilibrium phase diagram of terpene-based eutectic solvent systemsArticleAbdallah, Maha M. ; Müller, Simon  ; González de Castilla, Andrés  ; Gurikov, Pavel ; Matias, Ana A. ; Rosário Bronze, Maria do ; Fernández, Naiara 
215-Mar-2021On the analogy between the restricted primitive model and capacitor circuits: Semi-empirical alternatives for over- and underscreening in the calculation of mean ionic activity coefficientsArticleGonzález de Castilla, Andrés  ; Müller, Simon  ; Smirnova, Irina 
3Aug-2020Fulltext availableOpen AccessApplication and refinement of COSMO-RS-ES for calculating phase equilibria of electrolyte systems at high concentrations in mixed and non-aqueous solventsThesisMüller, Simon  
421-May-2020Prediction of Solvation Free Energies of Ionic Solutes in Neutral SolventsArticleKröger, Leif C. ; Müller, Simon  ; Smirnova, Irina ; Leonhard, Kai 
59-May-2020Fulltext availableOpen AccessArtificial neural networks for quantitative online NMR spectroscopyArticleKern, Simon ; Liehr, Sascha ; Wander, Lukas ; Bornemann-Pfeiffer, Martin ; Müller, Simon  ; Maiwald, Michael ; Kowarik, Stefan 
615-Feb-2020Calculation of thermodynamic equilibria with the predictive electrolyte model COSMO-RS-ES: Improvements for low permittivity systemsArticleMüller, Simon  ; González de Castilla, Andrés  ; Taeschler, Christoph ; Klein, Andreas ; Smirnova, Irina 
72020Thermodynamic and transport properties modeling of deep eutectic solvents: a review on gE-models, equations of state, and molecular dynamicsArticleGonzález de Castilla, Andrés  ; Bittner, Jan Philipp  ; Müller, Simon  ; Jakobtorweihen, Sven ; Smirnova, Irina 
820-Aug-2019Fulltext availableOpen AccessFlexible heuristic algorithm for automatic molecule fragmentation : application to the UNIFAC group contribution modelArticleMüller, Simon  
915-Mar-2019Evaluation 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 ionsArticleMüller, Simon  ; González de Castilla, Andrés  ; Taeschler, Christoph ; Klein, Andreas ; Smirnova, Irina 
10Jan-2018Development of a COSMO-RS based model for the calculation of phase equilibria in electrolyte systemsArticleGerlach, Thomas ; Müller, Simon  ; Smirnova, Irina 
1117-Mar-2016Influence of inorganic salts on the phase equilibrium of triton X-114 aqueous two-phase systemsArticleRitter, Eric ; Racheva, Ralena Rumenova ; Storm, Sandra ; Müller, Simon  ; Ingram, Thomas ; Smirnova, Irina 
122016Fulltext availableOpen AccessExtension of COSMO-RS for the prediction of the salt effect on liquid-liquid equilibriaPosterGerlach, Thomas ; Müller, Simon  ; Smirnova, Irina