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.
Int J Mol Sci. 2010 Mar 8;11(3):1020-1047. doi: 10.3390/ijms11031020.
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.
本文综述了近年来表面活性剂定量构效关系（QSPR）研究的进展以及各种分子描述符的应用。介绍了表面活性剂的临界胶束浓度（cmc）和表面张力（γ）的 QSPR 研究。还回顾了通过量子化学计算研究离子表面活性剂的电荷分布及其对表面活性剂胶体结构和性质的影响。评估了非离子表面活性剂浊点、生物降解潜力和其他一些性质的 QSPR 研究趋势。
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