摘要
应用灰色系统理论， 推导出灰色Ｎ 参数模型ＣＧＭ（１，１，Ｎ）， 突破了现有单参数灰色模型的局限性． 并用该模型讨论了色谱保留值与分子结构参数间的关系， 对烷基苯的同分异构体色谱保留值及疏水性参数进行了预测． 经实例验证， 其预测精度较单参数灰色模型高， 这为溶质保留行为的预测提供了一个实用方法，
We derived the N parameter gray model——CGM(1,1, N ) based on gray system theory in this paper. The complicated relationships between chromatographic retention behavior of isomeric alkylbenzenes and molecular structure parameters have been successfully investigated using the gray model. The retention and the logarithm of the partition coefficient of isomeric alkylbenzenes have been predicted. The precision is higher than that of the single parameter model——continuous gray model CGM(1,1). CGM(1,1, N ) is a practical method for the prediction of the retention behavior of solutes.
出处
《高等学校化学学报》
SCIE
EI
CAS
CSCD
北大核心
1999年第10期1528-1532,共5页
Chemical Journal of Chinese Universities
基金
国家自然科学基金
