A Review on Progress in QSPR Studies for Surfactants

被引：74
作者：
Hu, Jiwei [2 ]
Zhang, Xiaoyi [1 ]
Wang, Zhengwu [3 ]
机构：
[1] Guizhou Normal Univ, Sch Chem & Mat Sci, Guiyang 550001, Guizhou Prov, Peoples R China
[2] Guizhou Normal Univ, Guizhou Prov Key Lab Informat Syst Mountainous Ar, Guiyang 550001, Guizhou Prov, Peoples R China
[3] Shanghai Jiao Tong Univ, Bor Luh Food Safety Ctr, Dept Food Sci & Technol, Shanghai 201101, Peoples R China
来源：
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES | 2010年 / 11卷 / 03期
关键词：
surfactants; cmc; surface tension; cloud point; biodegradation; QSPR; STRUCTURE-PROPERTY RELATIONSHIP; CRITICAL MICELLE CONCENTRATION; HYDROPHILE-LIPOPHILE BALANCE; HEAD CHARGE DELOCALIZATION; NONIONIC SURFACTANTS; ANIONIC SURFACTANTS; PHYSICAL-PROPERTIES; PHASE-BEHAVIOR; CLOUD POINT; PERFLUORINATED CHEMICALS;
D O I：
10.3390/ijms11031020
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
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 (gamma) 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.
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页码：1020 / 1047
页数：28
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