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Prediction of Critical Micelle Concentration of Nonionic Surfactants by a Quantitative Structure – Property Relationship

[ Vol. 13 , Issue. 1 ]

Author(s):

Anna Mozrzymas and Bozenna Rozycka-Roszak   Pages 39 - 44 ( 6 )

Abstract:


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.

Keywords:

Nonionic surfactants, QSPR, cmc, connectivity indices

Affiliation:

Department of Physics and Biophysics, Wroclaw University of Environmental and Life Sciences, ul. Norwida 25, 50 – 375 Wroclaw, Poland.



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