Our COSMO-RS (COnductor like Screening MOdel for Realistic Solvents) program allows the prediction of many properties of pure fluids, fluid mixtures, and solutions:
Source data for over 1800 compounds, primarily solvents and small molecules, are available to users to facilitate easy and rapid calculations. Parameters for any additional compound of choice are easily created by performing Density Functional Theory calculations using our ADF program. Step-by-step tutorials ensure that anyone can learn to carry out, visualize, and analyze COSMO-RS calculations with the included Graphical User Interface.
 The σ-profile shows the amount of surface area for a given COSMO charge density  The calculated excess Gibbs free energy GE (red curve), excess enthalpy HE (blue curve), and 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.
Other questions? : e-mail us at info@scm.com.
