Studies on the Cloud Points of Nonionic Surfactants with QSPR  

作　　者：CHEN Mei-ling WANG Zheng-wu ZHANG Ge-xin GU Jin CUN Zhe TAO Fu-ming 

机构地区：[1]School of Chemistry and Materials Engineering, Southern Yangtze University, Wuxi 214122, P. R. China [2]Department of Food Science ＆ Technology, School of Agriculture and Biology, Shanghai Jiaotong University, Shanghai 201101, P. R. China

出　　处：《Chemical Research in Chinese Universities》2007年第6期715-719,共5页高等学校化学研究（英文版）

基　　金：Supported by the National Natural Science Foundation of China(Nos.20676051,20573048);Youth Foundation of SouthernYangtze University(No.006283).

摘　　要：With quantum chemical parameters, topological indexes, and physical chemistry parameters as descriptors, a quantitative structure-property relationship（QSPR） has been found for the cloud points of four series of nonionic surfactants（ a total of 65 surfactants）. The best-regressed model includes six descriptors, and the correlation coefficient of multiple determination is as high as 0. 962.With quantum chemical parameters, topological indexes, and physical chemistry parameters as descriptors, a quantitative structure-property relationship（QSPR） has been found for the cloud points of four series of nonionic surfactants（ a total of 65 surfactants）. The best-regressed model includes six descriptors, and the correlation coefficient of multiple determination is as high as 0. 962.

关 键 词：Nonionic surfactants Cloud point Quantitative structure-property relationship 

分 类 号：O641[理学—物理化学]