Comments on "Performance of COSMO-RS with sigma profiles from different model chemistries"

Industrial and Engineering Chemistry Research

Volumn 47, Issue 3, 2008, Pages 987-988

  Klamt, Andreas ^a,b  

^a COSMOlogic GmbH and CoKG ^*  (Germany)

^b UNIVERSITY OF REGENSBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 39449103599     PISSN: 08885885     EISSN: None     Source Type: Journal    
DOI: 10.1021/ie0712535     Document Type: Note

References (8)

1. Mu, T.; Rarey, J.; Gmehling, J. Performance of COSMO-RS with Sigma Profiles from Different Model Chemistries. Ind. Eng. Chem. Res. 2007, 46 (20), 6612-6629.
2. Klamt, A.; Schüürmann, G. COSMO - A New Approach to Dielectric Screening in Solvents with Explicit Expressions for the Screening Energy and Its Gradient. J. Chem. Soc., Perkin Trans. 1993, 2 (5), 799-805.
3. Lin, S. T.; Sandler, S. I. A Priori Phase Equilibrium Prediction from a Segment Contribution Solvation Model. Ind. Eng. Chem. Res. 2002, 41 (5), 899-913.
4. Andzelm, J.; Kölmel, C.; Klamt, A. Incorporation of Solvation Effects into Density Functional Calculations of Molecular Energies and Geometries. J. Chem. Phys. 1995, 103, 9312-9320.
5. Klamt, A.; Jonas, V.; Burger, T.; Lohrenz, J. C. W. Refinement and Parameterization of COSMO-RS. J. Phys. Chem. A 1998, 102 (26), 5074-5085.
6. Grensemann, H.; Gmehling," J. Performance of a Conductor-like Screening Model for Real Solvents Model in Comparison to Classical Group Contribution Methods. Ind. Eng. Chem. Res. 2005, 44 (5), 1610-1624.
7. Putnam, R.; Taylor, R.; Klamt, Eckert, A. F.; Schiller, M. Prediction of Infinite Dilution Activity Coefficients Using COSMO-RS. Ind. Eng. Chem. Res. 2004, 42, 3635-3641.
8. Klamt, A.; Krooshof, G. J. P.; Taylor, R. COSMOSPACE: Alternative to Conventional Activity-Coefficient Models. AIChE J. 2002, 48 (10), 2332-2349.