COSMO-RS Symposium 2018 Posters

Philipp Pracht / University of Bonn / Germany (Download PDF)
Fully Automated Quantum-Chemistry-Based Computation of Spin-Spin-Coupled Nuclear Magnetic Resonance Spectra


Maximilian Hahn / COSMOlogic / Germany (Download PDF)
COSMO-RS-EOS: Implementation of Equation-of-State methods in COSMOtherm


Isaac Dimitrovsky / USA (Download PDF)
Optimization of Solvent Blend Properties Using COSMOtherm and a Simulated Annealing Heuristic


Zhen Song / Max-Planck-Institute Magdeburg / Germany (Download PDF)
Systematic method for screening ionic liquids as extraction solvents exemplified by an extractive desulfurization process


Magdalena Bendova / Czech Academy of Sciences Prague / Czech Republic (Download PDF)
Partition coefficients octanol-water of selected (–)-menthol-substituted chiral ioliquids: experimental data and COSMO-RS modelling


Lorenz Fleitmann / RWTH Aachen University / Germany (Download PDF)
COSMO-CAMPD: A Framework for Integrated Design of Solvent and Process using COSMO-RS


Astrid Maaß / Fraunhofer Institute Bonn / Germany (Download PDF)
Acidic proton in trichlorosilane? Computations match experiment & reveal surprising mechanism


Sebastian Kaminski / RWTH Aachen University / Germany (Download PDF)
Combining COSMO-RS with other models leading to improved property predictions


Angela Bihlmeier / Karlsruhe Institute of Technology (KIT) / Germany
Tailoring the Gibbs Free Energy of the Nitroxide Exchange Reaction:Substituent and Solvent Effects


Rafel Israels / Momoware / Germany
The octet rule in chemical space: Generating virtual molecules


Abigail Engelberth / Purdue University / USA
Simulating extraction of hydrogen sulfide from natural gas via high oleic soybean oil using COSMO-RS


Yichun Dong / Beijing University of Chemical Technology / China
Extractive Distillation of MethylalMethanol Mixture Using the Mixture of Dimethylformamide and Ionic Liquid as Entrainers


Gangqiang Yu / Beijing University of Chemical Technology / China
Natural gas dehydration with ionic liquids


Christoph Gertig / RWTH Aachen University / Germany
Enhancement of Reaction Rates by Computer-Aided Molecular Design of Solvents Using COSMO-RS


Ahmad Alhadid / Technical University Munich / Germany
Prediction of Solid-Liquid Equilibria in Deep Eutectic Solvents Using COSMO-RS: Considering Cluster Formation


Sven Jakobtorweihen / Technical University Hamburg-Harburg / Germany
COSMOmic predictions for micelles and biomembranes


Christian Moya / University Autonoma Madrid / Spain
IL-UAM database: Providing opportunities for the conceptual design of new chemical processes based on ionic liquid


Björn Maribo-Mogensen / Hafnium Labs / Denmark
Why worry about electrolytes in your process simulation?


Dirk Andrae / Free University Berlin / Germany
Rationalization of the diastereoselectivity of SmI_2-induced cyclizations of N-oxoalkyl-substituted methyl indole-3-carboxylates


Maximilian Hahn / COSMOlogic / Germany
Lattice-Monte-Carlo vs. self-consistent infinite-order COSMO-RSC: Evaluation based on water-like Lattice-Cube-Fluids