Activity Coefficient Model: NIST-COSMO-SAC Prediction Method

This predictive method is based on the concepts described in:

S.T. Lin, S.I. Sandler. A Priori Phase Equilibrium Prediction from a Segment Contribution Solvation Model. Ind. Eng. Chem. Res. 2002, 41, 899-913.

Required sigma-profiles were calculated at NIST with NWChem computational-chemistry software (

Details of the development of NIST-COSMO-SAC will be published separately. (Anticipated publication date: 2015)