COSMO-RS Manual 2023.1¶
AMS COSMO-RS¶
AMS COSMO-RS (COnductor like Screening MOdel for Realistic Solvents) is a program for calculating thermodynamic properties of (mixed) fluids.
Graphical user interface (GUI) tutorials:
Table of Contents:
- General
- COSMO-RS, COSMO-SAC, UNIFAC
- COSMO result files
- The COSMO-RS program
- Polymers with COSMO-RS(-SAC)
- Pitzer-Debye-Hückel long-range electrostatic correction
- The UNIFAC program
- Pure compound property prediction
- Solvent Optimization
- Scripting with COSMO-RS
- Advanced scripting examples with PLAMS/pyCRS
- Changing the default parameters or re-parameterizing the COSMO-RS/-SAC methods
- Calculating and estimating sigma profiles
- Sigma Moments
- Screening for cocrystals
- Eutectic systems
- Binodal and Spinodal Curves
- Distribution of species in multispecies calculations
- Generating multiple conformers for a compound
- Automated pKa calculation
- Required Citations
- Keywords