Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
203497 | Fluid Phase Equilibria | 2009 | 4 Pages |
Abstract
As our entry for the 5th industrial fluid property simulation challenge, the COSMO-RS method in its COSMOtherm implementation has been used to predict the octanol–water partition coefficients and the aqueous activity coefficients of 1-ethylpropylamine, and 3-methyl-1-pentanol. Experimental data for similar compounds have been used in order to fine-tune the predictions.
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Chemical Engineering (General)
Authors
Andreas Klamt, Frank Eckert, Michael Diedenhofen,