Our COSMO-RS (COnductor like Screening MOdel for Realistic Solvents) program allows the prediction of properties of pure fluids and fluid mixtures. Such properties include:
Source data for over 1800 compounds, primarily solvents and small molecules, are available to users to facilitate easy and rapid calculations. Parameters for any compounds not in this database may be created by performing Density Functional Theory calculations using the separate ADF program. Step-by-step tutorials ensure that anyone can learn to carry out COSMO-RS calculations and analyze the results. Calculations are set-up and the results visualized with the included Graphical User Interface for COSMO-RS. Some of the results from COSMO-RS and ADF calculations are depicted below.
 The σ-profile shows the amount of surface area for a given COSMO charge density  The calculated excess Gibbs free energy GE (red curve), the excess enthalpy HE (blue curve), and the Gibbs free energy of mixing Gmix (green curve) |
 The COSMO charge density on a COSMO surface (Computed separately with ADF and visualized with ADFview) |
Fully functional versions of all of our software are available for a free 30-day evaluation period.
The programs may be run on any machine at your organization, and full support with answers to any question you have or problems you encounter will be provided.
Just fill out our Free Trial Form.
You may also request a copy of our Brochure,
or a Price Quote.
Other questions? : e-mail us at info@scm.com.
