Presentation with fundamentals about COSMO, COSMO-RS, and COSMO-SAC.
This is the main document for the LVPP course on COSMO-based models using the JCOSMO software, covering:
- Differences between COSMO and COSMO-RS/SAC.
- Basic use of the JCOSMO package.
- Sigma profiles and the LVPP-sigma profile database.
- Explaining negative and positive deviations from the Raoult’s law.
- Tools for the creation of sigma profiles.
- Statistical thermodynamics introduction.
- COSMO-SAC equations.
- Vapor-liquid equilibrium, octanol/water partition coefficient, solid-liquid equilibrium.
- COSMO-SAC-Phi introduction.