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A Review on Progress in QSPR Studies for Surfactants
Guizhou Provincial Key Laboratory for Information System of Mountainous Areas and Protection of Ecological Environment, Guizhou Normal University, Guiyang City, Guizhou Province, 550001, China
School of Chemistry and Materials Science, Guizhou Normal University, Guiyang City, Guizhou Province, 550001, China
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
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
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MDPI and ACS Style
Hu, J.; Zhang, X.; Wang, Z. A Review on Progress in QSPR Studies for Surfactants. Int. J. Mol. Sci. 2010, 11, 1020-1047.
Hu J, Zhang X, Wang Z. A Review on Progress in QSPR Studies for Surfactants. International Journal of Molecular Sciences. 2010; 11(3):1020-1047.
Hu, Jiwei; Zhang, Xiaoyi; Wang, Zhengwu. 2010. "A Review on Progress in QSPR Studies for Surfactants." Int. J. Mol. Sci. 11, no. 3: 1020-1047.