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Int. J. Mol. Sci. 2010, 11(3), 1020-1047; doi:10.3390/ijms11031020

A Review on Progress in QSPR Studies for Surfactants

1
Guizhou Provincial Key Laboratory for Information System of Mountainous Areas and Protection of Ecological Environment, Guizhou Normal University, Guiyang City, Guizhou Province, 550001, China
2
School of Chemistry and Materials Science, Guizhou Normal University, Guiyang City, Guizhou Province, 550001, China
3
Department of Food Science and Technology, Bor Luh Food Safety Center, Shanghai JiaoTong University, Shanghai, 201101, China
*
Authors to whom correspondence should be addressed.
Received: 19 January 2010 / Accepted: 5 March 2010 / Published: 8 March 2010
(This article belongs to the Special Issue Recent Advances in QSAR/QSPR Theory)
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Abstract

This paper presents a review on recent progress in quantitative structure-property relationship (QSPR) studies of surfactants and applications of various molecular descriptors. QSPR studies on critical micelle concentration (cmc) and surface tension (γ) of surfactants are introduced. Studies on charge distribution in ionic surfactants by quantum chemical calculations and its effects on the structures and properties of the colloids of surfactants are also reviewed. The trends of QSPR studies on cloud point (for nonionic surfactants), biodegradation potential and some other properties of surfactants are evaluated .
Keywords: surfactants; cmc; surface tension; cloud point; biodegradation; QSPR surfactants; cmc; surface tension; cloud point; biodegradation; QSPR
This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).

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Hu, J.; Zhang, X.; Wang, Z. A Review on Progress in QSPR Studies for Surfactants. Int. J. Mol. Sci. 2010, 11, 1020-1047.

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