A Review on Progress in QSPR Studies for Surfactants

International Journal of Molecular Sciences

Jiwei Hu¹  Xiaoyi Zhang² 

[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; E-Mail:;School of Chemistry and Materials Science, Guizhou Normal University, Guiyang City, Guizhou Province, 550001, China

关键词: surfactants;    cmc;    surface tension;    cloud point;    biodegradation;    QSPR;   

DOI  :  10.3390/ijms11031020

来源: mdpi

【 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 (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.

【 授权许可】

CC BY   
© 2010 by the authors; licensee Molecular Diversity Preservation International, Basel, Switzerland.