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ADF modeling suite - Functionality - Thermodynamic properties with COSMO-RS

  • COSMO-RS Database ADFCRS-2010 contains 1892 compounds

  • Create additional COSMO-RS files for specific molecules with our MOPAC2012 or ADF programs

  • ADFcrs - import molecule(s), select options, start COSMO-RS calculation, visualize results

  • Pure liquids, liquid mixtures, ternary mixtures

  • Activity coefficients, solubilities, partition coefficients (log P), excess energies, boiling points, vapor-liquid diagrams, solvation free energies, Henry's law constant, pKa values, flash points, composition lines

  • COSMO-SAC 2013-ADF

Experimental vapor pressures (P) at 373.15 K for the acetone-water system as a function of acetone fraction (x1), compared to predictions with COSMO-SAC models (2013-ADF, 2010, 2007).

To find more information about ADF Modeling Suite please visit SCM web page.