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QSPR study of critical micelle concentrations of nonionic surfactants / Alan R. Katritzky in Industrial & engineering chemistry research, Vol. 47 N° 23 (Décembre 2008) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 47 N° 23 (Décembre 2008) . - p. 9687–9695 Titre : QSPR study of critical micelle concentrations of nonionic surfactants Type de document : texte imprimé Auteurs : Alan R. Katritzky, Auteur ; Liliana M. Pacureanu, Auteur ; Svetoslav H. Slavov, Auteur Année de publication : 2009 Article en page(s) : p. 9687–9695 Note générale : Chemistry engineering Langues : Anglais (eng) Mots-clés : Nonionic  surfactants Résumé : Linear and nonlinear predictive models are derived for a data set of 162 nonionic surfactants. The descriptors in the derived models relate to the molecular shape and size and to the presence of heteroatoms participating in donor−acceptor and dipole−dipole interactions. Steric hindrance in the hydrophobic area also plays an important role in micellization. The derived linear and nonlinear QSPR models could be useful to predict the CMCs of broad classes of nonionic surfactants. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie800954k [article] QSPR study of critical micelle concentrations of nonionic surfactants [texte imprimé] / Alan R. Katritzky, Auteur ; Liliana M. Pacureanu, Auteur ; Svetoslav H. Slavov, Auteur . - 2009 . - p. 9687–9695. Chemistry engineering Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 47 N° 23 (Décembre 2008) . - p. 9687–9695 Mots-clés : Nonionic  surfactants Résumé : Linear and nonlinear predictive models are derived for a data set of 162 nonionic surfactants. The descriptors in the derived models relate to the molecular shape and size and to the presence of heteroatoms participating in donor−acceptor and dipole−dipole interactions. Steric hindrance in the hydrophobic area also plays an important role in micellization. The derived linear and nonlinear QSPR models could be useful to predict the CMCs of broad classes of nonionic surfactants. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie800954k