Prediction of the n-hexane/water and 1-octanol/water partition coefficients for environmentally relevant compounds using molecular simulation
Article first published online: 9 AUG 2011
Copyright © 2011 American Institute of Chemical Engineers (AIChE)
Volume 58, Issue 6, pages 1929–1938, June 2012
How to Cite
Garrido, N. M., Economou, I. G., Queimada, A. J., Jorge, M. and Macedo, E. A. (2012), Prediction of the n-hexane/water and 1-octanol/water partition coefficients for environmentally relevant compounds using molecular simulation. AIChE J., 58: 1929–1938. doi: 10.1002/aic.12718
- Issue published online: 4 MAY 2012
- Article first published online: 9 AUG 2011
- Accepted manuscript online: 27 JUN 2011 03:34PM EST
- Manuscript Revised: 16 JUN 2011
- Manuscript Received: 4 MAY 2011
- FCT PhD scholarship. Grant Number: SFRH/BD/47822/2007
- Petroleum Institute
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