SCM introduces a first implementation of COSMO-RS in ADF. The COSMO-RS (COnductor like Screening MOdel for Realistic Solvents) method allows the prediction of properties of pure liquids and liquid mixtures, such as:
- activity coefficients
- partition coefficients
- excess energies
- boiling points
- vapor-liquid diagrams
The new module includes a Graphical User Interface for user-friendly job set up and output visualization. The use of COSMO-RS module in ADF is described in the ADF COSMO-RS Manual and the ADF COSMO-RS GUI tutorial. The COSMO-RS module is available in the current commercial ADF2007.01d release of ADF (download the ADF2007.01d version). The ADF2007.01d release is available for a limited number of platforms only including Windows, Linux, Mac OS X.
Contact us to obtain an updated license file, as needed to activate the COSMO-RS module.