Prediction of critical micelle concentration of nonionic surfactants by a quantitative structure - property relationship.
A quantitative structure - property relationship (QSPR) was used to predict the critical micelle concentration (cmc) of nonionic surfactants. The relation was developed for a diverse set of 23 nonionic surfactants (r = 0.99, F-test = 1042.5) employing the connectivity and valence connectivity indices only. The molecular connectivity indices were calculated for the whole molecule which was a simple and general approach.
Mozrzymas
Anna
A
Department of Physics and Biophysics, Wrocław University of Environmental and Life Sciences, Poland. anna.mozrzymas@up.wroc.pl
Rózycka-Roszak
Bozenns
B
D008823:Micelles; D008956:Models, Chemical; D015394:Molecular Structure; D021281:Quantitative Structure-Activity Relationship; D013501:Surface-Active Agents / Q000737:chemistry*
D008823:Micelles; D013501:Surface-Active Agents