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