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