COSMO-RS: Fluid Thermodynamics
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COSMO-RS

This part will provide a hands-on tutorial demonstrating the COSMO-RS
GUI. Its purpose is to give a quick tour of the main features of the
COSMO-RS GUI.

The first tutorial describes how to create COSMO result files that are
needed as input for the COSMO-RS calculation. The second tutorial
describes some analysis tools (sigma profile, sigma potential), and
shows how to set COSMO-RS parameters. The third tutorial describes how
to calculate properties, such as solvent vapor pressures, solvent
boiling points, partition coefficients (log P), activity coefficients,
solvation free energies, Henry's law constants, solubilities, vapor
liquid diagrams binary mixture (VLE/LLE), excess energies, optimize
solvents. The fourth tutorial describes how to use the COSMO-RS
compound database ADFCRS-2018 of COSMO result files.

The next tutorials are focusing more on one particular aspect of a
calculation: the calculation of pK_a values, ionic liquids, polymers,
the Pitzer-Debye-Hückel electrostatic correction, multi-species
compounds, and using UNIFAC.

Additional information may be found in the COSMO-RS part of the GUI
Reference manual and COSMO-RS manual

**GUI Tutorials:**

* COSMO result files

* Overview: parameters and analysis

* Overview: properties

* The COSMO-RS compound database

* pKa values

* Ionic Liquids

* Polymers

* Pitzer-Debye-Hückel electrostatic correction

* COSMO-RS with multi-species components

* Using the UNIFAC program

**Python Scripting with COSMO-RS:**

* Python scripting with COSMO-RS using the PLAMS library
