A review on progress in QSPR studies for surfactants.
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.
Hu
Jiwei
J
0000-0001-5900-7459
Guizhou Provincial Key Laboratory for Information System of Mountainous Areas and Protection of Ecological Environment, Guizhou Normal University, Guiyang City, Guizhou Province, 550001, China.
Zhang
Xiaoyi
X
School of Chemistry and Materials Science, Guizhou Normal University, Guiyang City, Guizhou Province, 550001, China.
Wang
Zhengwu
Z
Department of Food Science and Technology, Bor Luh Food Safety Center, Shanghai JiaoTong University, Shanghai, 201101, China.
D001673:Biodegradation, Environmental; D021281:Quantitative Structure-Activity Relationship; D013501:Surface-Active Agents / Q000737:chemistry*
D013501:Surface-Active Agents